Y1409_STAAM Loading...

Uncharacterized protein SAV1409

AlphaFold DB (Q2G2J8), UniProt , Accession Q99U78, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 263 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
1M35.9Very low69.7Low218 Ų21881.8 Ų81.8100%1.07445%0.454SS*.  0113.40-155.7171.9-167.900104.8L3M1-L3 PolarHBondContact O-N 3.34Å
2A45.5Very low71.5Confident91 Ų9180.3 Ų80.375%0.75245%0.449SS*.PPolyproline II helixtrans-56129.5179.800000108.5K4A2-K4 PolarHBondContact O-N 3.44Å
3L50.5Low73.2Confident80 Ų8074.6 Ų74.642%0.41942%0.417SS..PPolyproline II helixtrans-62.5122.4173.9-111.197.3000106.7M1 H5 E42 E46M1-L3 PolarHBondContact O-N 3.34Å; L3-H5 PolarHBondContact O-N 3.46Å; L3-E42 HydrophobicContact CD2-CB 4.35Å; L3-E46 VanDerWaalsContact CB-OE2 3.31Å; L3-E46 WeakPolarHBondContact CB-OE2 3.47Å
4K67.5Low74.8Confident71 Ų7172.3 Ų72.331%0.30940%0.401SS..PPolyproline II helixtrans-68.5117.2178.6-64.6164.4-172.4163.40107.2A2 K39 E183 Q184A2-K4 PolarHBondContact O-N 3.44Å; K4-K39 WeakPolarHBondContact O-CE 3.44Å; K4-K39 PolarHBondContact O-NZ 3.32Å; K4-E183 HydrophobicContact CD-CB 4.12Å; K4-E183 WeakPolarHBondContact CE-O 3.33Å; K4-E183 PolarHBondContact NZ-O 2.96Å; K4-Q184 HydrophobicContact CD-CG 3.6Å
5H79.5Confident76.2Confident95 Ų9573.6 Ų73.644%0.4441%0.407SS..PPolyproline II helixtrans-66.8154.2-174.7-59.9-54.9000112.5L3 K7 T43 E46L3-H5 PolarHBondContact O-N 3.46Å; H5-K7 PolarHBondContact O-N 3.45Å; H5-T43 HydrophobicContact CB-CG2 3.75Å; H5-E46 IonicContact CE1-OE1 3.48Å; H5-E46 IonicContact CE1-OE2 3.76Å; H5-E46 PolarHBondContact CE1-OE2 3.43Å; H5-E46 IonicContact ND1-OE2 3.93Å; H5-E46 PolarHBondContact ND1-OE2 2.97Å
6Y82.2Confident77.5Confident23 Ų2373.6 Ų73.69%0.0941%0.406CS..PPolyproline II helixtrans-55.5134.5170.5178.8-98.3000110.7N8 V13 F14 K39 L40 T43 V169Y6-N8 HydrophobicContact CE1-CB 3.64Å; Y6-N8 WeakPolarHBondContact OH-CB 3.37Å; Y6-N8 PolarHBondContact OH-ND2 3.29Å; Y6-V13 HydrophobicContact CE1-CB 4.48Å; Y6-V13 HydrophobicContact CE1-CG1 3.95Å; Y6-F14 HydrophobicContact CD1-CB 4.37Å; Y6-K39 HydrophobicContact CD2-CB 4.31Å; Y6-K39 HydrophobicContact CD2-CG 4.47Å; Y6-L40 HydrophobicContact CD1-CB 4.4Å; Y6-L40 HydrophobicContact CD1-CD1 3.68Å; Y6-L40 HydrophobicContact CD2-CB 3.69Å; Y6-L40 HydrophobicContact CD2-CD1 4.5Å; Y6-L40 HydrophobicContact CE1-CD1 3.89Å; Y6-L40 HydrophobicContact CE2-CB 3.84Å; Y6-L40 HydrophobicContact CG-CB 3.98Å; Y6-L40 HydrophobicContact CG-CD1 4Å; Y6-T43 WeakPolarHBondContact CB-OG1 3.36Å; Y6-T43 PolarHBondContact N-OG1 3.21Å; Y6-V169 HydrophobicContact CE2-CG1 4.29Å; Y6-V169 WeakPolarHBondContact OH-CG1 3.37Å
7K79.1Confident78.7Confident67 Ų6769.4 Ų69.429%0.29138%0.383SS..  trans-130.7137.6175.9-65177.1179.3173.30107.8H5 I172 I176 V180 E183H5-K7 PolarHBondContact O-N 3.45Å; K7-I172 WeakPolarHBondContact O-CG2 3.37Å; K7-I176 HydrophobicContact CB-CG2 3.73Å; K7-V180 HydrophobicContact CB-CG2 4.5Å; K7-V180 HydrophobicContact CD-CG2 4.36Å; K7-E183 IonicContact NZ-OE1 2.63Å; K7-E183 PolarHBondContact NZ-OE1 3.21Å; K7-E183 IonicContact NZ-OE2 3.2Å; K7-E183 PolarHBondContact NZ-OE2 3.43Å
8N81.1Confident79.7Confident24 Ų2469.4 Ų69.413%0.12838%0.379CS..  trans-148.6152.1171.2-161.5-65000108.7Y6 D10 D170 I172 I176Y6-N8 HydrophobicContact CE1-CB 3.64Å; Y6-N8 WeakPolarHBondContact OH-CB 3.37Å; Y6-N8 PolarHBondContact OH-ND2 3.29Å; N8-D10 PolarHBondContact O-N 3Å; N8-D10 PolarHBondContact OD1-N 3.34Å; N8-D170 PolarHBondContact ND2-O 3.34Å; N8-I172 HydrophobicContact CB-CG2 4.38Å; N8-I176 VanDerWaalsContact C-CD1 3.44Å; N8-I176 WeakPolarHBondContact O-CD1 2.74Å
9S78Confident80.7Confident74 Ų7468 Ų6852%0.51738%0.377SS..SBendtrans-63.2-36173.9470000110.7S11S9-S11 PolarHBondContact O-N 3.04Å
10D84.9Confident81.5Confident74 Ų7465.8 Ų65.840%0.39637%0.365SS..  trans-79.698.3167.1-168.9-5.7000110.8N8 T12 V13N8-D10 PolarHBondContact O-N 3Å; N8-D10 PolarHBondContact OD1-N 3.34Å; D10-T12 PolarHBondContact O-N 3.45Å; D10-T12 WeakPolarHBondContact OD1-CB 3.44Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.44Å; D10-T12 PolarHBondContact OD1-N 3.19Å; D10-T12 PolarHBondContact OD1-OG1 3.29Å; D10-T12 VanDerWaalsContact OD1-OG1 3.08Å; D10-V13 HydrophobicContact CB-CG2 3.89Å; D10-V13 PolarHBondContact O-N 3.13Å
11S82.4Confident82.3Confident83 Ų8363.6 Ų63.658%0.5835%0.351SS*.THydrogen-bonded Turntrans-71.6-13.1175.762.80000113.4S9 V13 N15S9-S11 PolarHBondContact O-N 3.04Å; S11-V13 VanDerWaalsContact C-N 3.33Å; S11-N15 PolarHBondContact O-ND2 3.41Å
12T91.3Very high85.2Confident64 Ų6457.9 Ų57.939%0.39333%0.325SS..Hα-helixtrans-71.2-32176.286.10000110.9D10 F14 N15 D16D10-T12 PolarHBondContact O-N 3.45Å; D10-T12 WeakPolarHBondContact OD1-CB 3.44Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.44Å; D10-T12 PolarHBondContact OD1-N 3.19Å; D10-T12 PolarHBondContact OD1-OG1 3.29Å; D10-T12 VanDerWaalsContact OD1-OG1 3.08Å; T12-F14 VanDerWaalsContact C-N 3.33Å; T12-F14 PolarHBondContact O-N 3.17Å; T12-N15 CarbonylContact O-C 3.01Å; T12-N15 PolarHBondContact O-N 2.7Å; T12-D16 WeakPolarHBondContact CB-OD2 3.39Å; T12-D16 VanDerWaalsContact O-CB 3.26Å; T12-D16 WeakPolarHBondContact O-CB 3.47Å; T12-D16 PolarHBondContact O-N 3.49Å; T12-D16 PolarHBondContact OG1-OD2 3.22Å; T12-D16 VanDerWaalsContact OG1-OD2 3.06Å
13V94.3Very high87.6Confident6 Ų659.1 Ų59.14%0.03632%0.318CS..Hα-helixtrans-49.2-50.3-179.2172.50000112.7Y6 D10 S11 A17 L40 I167 V169Y6-V13 HydrophobicContact CE1-CB 4.48Å; Y6-V13 HydrophobicContact CE1-CG1 3.95Å; D10-V13 HydrophobicContact CB-CG2 3.89Å; D10-V13 PolarHBondContact O-N 3.13Å; S11-V13 VanDerWaalsContact C-N 3.33Å; V13-A17 WeakPolarHBondContact O-CB 3.26Å; V13-A17 PolarHBondContact O-N 3.21Å; V13-A17 VanDerWaalsContact O-N 3.12Å; V13-L40 HydrophobicContact CG1-CD1 4.46Å; V13-L40 HydrophobicContact CG1-CD2 3.73Å; V13-I167 HydrophobicContact CB-CG2 4.5Å; V13-I167 HydrophobicContact CG1-CG2 3.85Å; V13-V169 HydrophobicContact CG1-CG2 4.2Å
14F95.3Very high89.8Confident42 Ų4258.7 Ų58.718%0.18432%0.317CS..Hα-helixtrans-70.9-43.2178.7-178-92.4000112.1Y6 T12 D16 A17 K18 L40 T43 L44 V47Y6-F14 HydrophobicContact CD1-CB 4.37Å; T12-F14 VanDerWaalsContact C-N 3.33Å; T12-F14 PolarHBondContact O-N 3.17Å; F14-D16 VanDerWaalsContact C-N 3.34Å; F14-D16 PolarHBondContact O-N 2.8Å; F14-A17 PolarHBondContact O-N 2.89Å; F14-K18 WeakPolarHBondContact O-CB 3.2Å; F14-K18 PolarHBondContact O-N 2.8Å; F14-L40 HydrophobicContact CB-CD1 4.26Å; F14-L40 HydrophobicContact CD2-CD1 3.7Å; F14-L40 HydrophobicContact CG-CD1 4.45Å; F14-T43 HydrophobicContact CD2-CG2 4.32Å; F14-T43 HydrophobicContact CE2-CG2 3.67Å; F14-T43 HydrophobicContact CZ-CG2 4.35Å; F14-L44 HydrophobicContact CE2-CB 4.38Å; F14-V47 HydrophobicContact CZ-CB 4.06Å; F14-V47 HydrophobicContact CZ-CG1 4.08Å; F14-V47 HydrophobicContact CZ-CG2 3.88Å
15N95.2Very high91.2Very high92 Ų9260.2 Ų60.249%0.49232%0.323SS..Hα-helixtrans-65.4-37.9-178.3-69.8-35.4000112.1S11 T12 K18 A19S11-N15 PolarHBondContact O-ND2 3.41Å; T12-N15 CarbonylContact O-C 3.01Å; T12-N15 PolarHBondContact O-N 2.7Å; N15-K18 PolarHBondContact O-N 3.16Å; N15-A19 WeakPolarHBondContact O-CB 3.25Å; N15-A19 PolarHBondContact O-N 2.91Å
16D97.7Very high92Very high74 Ų7456.2 Ų56.240%0.39631%0.305SS..Hα-helixtrans-67.8-44.9175.5-65.8-23.3000109.9T12 F14 K18 A19 L20 I167T12-D16 WeakPolarHBondContact CB-OD2 3.39Å; T12-D16 VanDerWaalsContact O-CB 3.26Å; T12-D16 WeakPolarHBondContact O-CB 3.47Å; T12-D16 PolarHBondContact O-N 3.49Å; T12-D16 PolarHBondContact OG1-OD2 3.22Å; T12-D16 VanDerWaalsContact OG1-OD2 3.06Å; F14-D16 VanDerWaalsContact C-N 3.34Å; F14-D16 PolarHBondContact O-N 2.8Å; D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.45Å; D16-A19 PolarHBondContact O-N 2.9Å; D16-L20 WeakPolarHBondContact O-CB 3.45Å; D16-L20 WeakPolarHBondContact O-CG 3.49Å; D16-L20 PolarHBondContact O-N 2.89Å; D16-I167 HydrophobicContact CB-CD1 4Å
17A97.7Very high92.8Very high2 Ų255.2 Ų55.22%0.01730%0.301CS..Hα-helixtrans-59.3-42.9174.900000111.5V13 F14 L20 F21 I27 L40 L44 I167V13-A17 WeakPolarHBondContact O-CB 3.26Å; V13-A17 PolarHBondContact O-N 3.21Å; V13-A17 VanDerWaalsContact O-N 3.12Å; F14-A17 PolarHBondContact O-N 2.89Å; A17-L20 PolarHBondContact O-N 3.42Å; A17-F21 WeakPolarHBondContact O-CB 3.28Å; A17-F21 PolarHBondContact O-N 3.21Å; A17-I27 HydrophobicContact CB-CD1 4.37Å; A17-I27 VanDerWaalsContact O-CD1 3.3Å; A17-I27 WeakPolarHBondContact O-CD1 3.4Å; A17-L40 HydrophobicContact CB-CD1 4.36Å; A17-L44 HydrophobicContact CB-CD2 4.27Å; A17-I167 HydrophobicContact CB-CD1 3.79Å
18K97Very high93.6Very high69 Ų6952 Ų5230%0.329%0.287SS..Hα-helixtrans-64-46.8174.9-170.2-171.3-179.5-57.80112F14 N15 D16 L20 F21 D22 L44F14-K18 WeakPolarHBondContact O-CB 3.2Å; F14-K18 PolarHBondContact O-N 2.8Å; N15-K18 PolarHBondContact O-N 3.16Å; D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.45Å; K18-L20 VanDerWaalsContact C-N 3.3Å; K18-L20 PolarHBondContact O-N 3.13Å; K18-F21 WeakPolarHBondContact O-CB 3.35Å; K18-F21 PolarHBondContact O-N 3.07Å; K18-D22 IonicContact NZ-OD1 3.92Å; K18-D22 PolarHBondContact NZ-OD1 2.95Å; K18-D22 IonicContact NZ-OD2 2.92Å; K18-D22 PolarHBondContact NZ-OD2 3.03Å; K18-D22 VanDerWaalsContact O-CG 3.27Å; K18-D22 PolarHBondContact O-N 3.41Å; K18-L44 HydrophobicContact CB-CD1 4Å; K18-L44 HydrophobicContact CG-CD1 4.2Å
19A97.8Very high94.3Very high43 Ų4351 Ų5136%0.35528%0.282SS..Hα-helixtrans-61.1-40178.400000111.8N15 D16 D22 L23N15-A19 WeakPolarHBondContact O-CB 3.25Å; N15-A19 PolarHBondContact O-N 2.91Å; D16-A19 PolarHBondContact O-N 2.9Å; A19-D22 PolarHBondContact O-N 3.47Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.05Å
20L97.9Very high95Very high23 Ų2349.2 Ų49.212%0.1227%0.265CS..Hα-helixtrans-66-40.2175.6-70174.6000112.3D16 A17 K18 L23 N24 K25 I27 V165 I167D16-L20 WeakPolarHBondContact O-CB 3.45Å; D16-L20 WeakPolarHBondContact O-CG 3.49Å; D16-L20 PolarHBondContact O-N 2.89Å; A17-L20 PolarHBondContact O-N 3.42Å; K18-L20 VanDerWaalsContact C-N 3.3Å; K18-L20 PolarHBondContact O-N 3.13Å; L20-L23 CarbonylContact O-C 3.46Å; L20-L23 PolarHBondContact O-N 3.01Å; L20-N24 PolarHBondContact O-N 3.06Å; L20-N24 VanDerWaalsContact O-N 3.12Å; L20-K25 HydrophobicContact CB-CB 4.21Å; L20-K25 HydrophobicContact CD2-CB 3.98Å; L20-K25 HydrophobicContact CD2-CG 4.02Å; L20-K25 PolarHBondContact O-N 3.17Å; L20-I27 HydrophobicContact CB-CD1 3.83Å; L20-I27 HydrophobicContact CB-CG1 3.79Å; L20-I27 HydrophobicContact CD1-CG1 4.06Å; L20-V165 HydrophobicContact CD1-CB 3.89Å; L20-V165 HydrophobicContact CD1-CG1 3.73Å; L20-V165 HydrophobicContact CD2-CB 3.94Å; L20-V165 HydrophobicContact CD2-CG1 3.85Å; L20-V165 HydrophobicContact CD2-CG2 3.98Å; L20-V165 HydrophobicContact CG-CG1 4.46Å; L20-I167 HydrophobicContact CD1-CD1 3.77Å; L20-I167 HydrophobicContact CD1-CG1 4.13Å
21F97.4Very high95.3Very high20 Ų2045.7 Ų45.79%0.08825%0.246CC..Hα-helixtrans-60.7-47.8173177.8-84.3000111.4A17 K18 L23 N24 L44 V48 I98 N141A17-F21 WeakPolarHBondContact O-CB 3.28Å; A17-F21 PolarHBondContact O-N 3.21Å; K18-F21 WeakPolarHBondContact O-CB 3.35Å; K18-F21 PolarHBondContact O-N 3.07Å; F21-L23 PolarHBondContact O-N 3.02Å; F21-N24 WeakPolarHBondContact O-CA 3.38Å; F21-N24 PolarHBondContact O-N 2.67Å; F21-L44 HydrophobicContact CB-CD1 4.49Å; F21-L44 HydrophobicContact CB-CD2 4.16Å; F21-L44 HydrophobicContact CD2-CD2 4.43Å; F21-V48 HydrophobicContact CD1-CB 4.35Å; F21-V48 HydrophobicContact CD1-CG1 3.93Å; F21-V48 HydrophobicContact CD1-CG2 4.38Å; F21-V48 HydrophobicContact CE1-CB 3.79Å; F21-V48 HydrophobicContact CE1-CG1 3.9Å; F21-V48 HydrophobicContact CE1-CG2 3.72Å; F21-V48 HydrophobicContact CE2-CG2 4Å; F21-V48 HydrophobicContact CZ-CB 4.1Å; F21-V48 HydrophobicContact CZ-CG2 3.5Å; F21-V48 VanDerWaalsContact CZ-CG2 3.5Å; F21-I98 HydrophobicContact CD2-CD1 4.3Å; F21-I98 HydrophobicContact CD2-CG1 4.4Å; F21-I98 HydrophobicContact CE2-CD1 3.74Å; F21-I98 HydrophobicContact CE2-CG1 3.65Å; F21-N141 HydrophobicContact CD2-CB 3.68Å; F21-N141 VanDerWaalsContact CD2-CG 3.48Å; F21-N141 HydrophobicContact CE2-CB 3.62Å; F21-N141 VanDerWaalsContact CE2-ND2 3.31Å; F21-N141 WeakPolarHBondContact CE2-ND2 3.26Å; F21-N141 PolarHBondContact O-OD1 2.95Å
22D96.6Very high95.4Very high98 Ų9842.3 Ų42.352%0.52422%0.223SC..Hα-helixtrans-62.6-31.8178.2-66.3-24.6000111.6K18 A19 N24K18-D22 IonicContact NZ-OD1 3.92Å; K18-D22 PolarHBondContact NZ-OD1 2.95Å; K18-D22 IonicContact NZ-OD2 2.92Å; K18-D22 PolarHBondContact NZ-OD2 3.03Å; K18-D22 VanDerWaalsContact O-CG 3.27Å; K18-D22 PolarHBondContact O-N 3.41Å; A19-D22 PolarHBondContact O-N 3.47Å; D22-N24 VanDerWaalsContact C-N 3.27Å; D22-N24 PolarHBondContact O-N 2.9Å
23L96.6Very high95.2Very high117 Ų11740.2 Ų40.261%0.61321%0.21SC*.THydrogen-bonded Turntrans-83.94.8173.7-68.2171.6000113.8A19 L20 F21 K25A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.05Å; L20-L23 CarbonylContact O-C 3.46Å; L20-L23 PolarHBondContact O-N 3.01Å; F21-L23 PolarHBondContact O-N 3.02Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 HydrophobicContact CB-CG 3.95Å; L23-K25 PolarHBondContact O-N 2.75Å
24N95.8Very high94.7Very high71 Ų7140.8 Ų40.838%0.3822%0.217SC..THydrogen-bonded Turntrans50.741.6-177.3-166.212.6000113.5L20 F21 D22 R123 F140 N141L20-N24 PolarHBondContact O-N 3.06Å; L20-N24 VanDerWaalsContact O-N 3.12Å; F21-N24 WeakPolarHBondContact O-CA 3.38Å; F21-N24 PolarHBondContact O-N 2.67Å; D22-N24 VanDerWaalsContact C-N 3.27Å; D22-N24 PolarHBondContact O-N 2.9Å; N24-R123 PolarHBondContact O-NH2 3.02Å; N24-R123 PolarHBondContact OD1-NH2 3.35Å; N24-F140 PolarHBondContact OD1-O 3.44Å; N24-F140 VanDerWaalsContact OD1-O 3.1Å; N24-N141 PolarHBondContact OD1-OD1 2.97Å
25K97.1Very high94.3Very high103 Ų10339 Ų3945%0.44821%0.21SC..  trans-92.4142.9175.7-59.6-59.6-178.1-178.60109.9L20 L23 V165L20-K25 HydrophobicContact CB-CB 4.21Å; L20-K25 HydrophobicContact CD2-CB 3.98Å; L20-K25 HydrophobicContact CD2-CG 4.02Å; L20-K25 PolarHBondContact O-N 3.17Å; L23-K25 VanDerWaalsContact C-N 3.26Å; L23-K25 HydrophobicContact CB-CG 3.95Å; L23-K25 PolarHBondContact O-N 2.75Å; K25-V165 HydrophobicContact CB-CG2 4.34Å
26N97.4Very high94Very high11 Ų1135.8 Ų35.86%0.05920%0.198CC..  trans-72.5134.2169.9-46.6-57.1000109.2L119 R123 V142 R163 F164 V165N26-L119 HydrophobicContact CB-CD2 4.43Å; N26-L119 PolarHBondContact ND2-O 3.22Å; N26-R123 PolarHBondContact OD1-NH1 3.23Å; N26-R123 PolarHBondContact OD1-NH2 3.48Å; N26-R123 VanDerWaalsContact OD1-NH2 3.14Å; N26-V142 WeakPolarHBondContact CA-O 3.45Å; N26-V142 HydrophobicContact CB-CB 4.41Å; N26-R163 WeakPolarHBondContact CB-O 3.41Å; N26-R163 PolarHBondContact ND2-O 3.06Å; N26-F164 HydrophobicContact CB-CD1 3.36Å; N26-F164 HydrophobicContact CB-CE1 3.65Å; N26-F164 HydrophobicContact CB-CG 4.19Å; N26-F164 WeakPolarHBondContact O-CA 3.32Å; N26-V165 PolarHBondContact O-N 2.87Å
27I98.1Very high93.8Very high2 Ų232.6 Ų32.61%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-106.3134.3-176.4-55.2173.6000108.8A17 L20 L29 L44 V142 I143 A144 F164 I167A17-I27 HydrophobicContact CB-CD1 4.37Å; A17-I27 VanDerWaalsContact O-CD1 3.3Å; A17-I27 WeakPolarHBondContact O-CD1 3.4Å; L20-I27 HydrophobicContact CB-CD1 3.83Å; L20-I27 HydrophobicContact CB-CG1 3.79Å; L20-I27 HydrophobicContact CD1-CG1 4.06Å; I27-L29 HydrophobicContact CG2-CD2 3.68Å; I27-L29 HydrophobicContact CG2-CG 4.31Å; I27-L44 HydrophobicContact CD1-CD2 4.37Å; I27-V142 PolarHBondContact N-O 3.07Å; I27-I143 HydrophobicContact CB-CG1 4.36Å; I27-I143 HydrophobicContact CB-CG2 4.37Å; I27-I143 HydrophobicContact CD1-CG1 4.34Å; I27-I143 CarbonylContact O-C 3.54Å; I27-I143 WeakPolarHBondContact O-CA 3.49Å; I27-A144 PolarHBondContact O-N 3.16Å; I27-F164 WeakPolarHBondContact O-CD1 3.35Å; I27-I167 HydrophobicContact CG2-CD1 4.11Å; I27-I167 HydrophobicContact CG2-CG1 4.44Å
28L96.4Very high93.7Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-114.3111.6169.7179.667.5000109.6K30 I104 A144 I146 M156 F164 V165 V166 I167L28-K30 HydrophobicContact CD2-CG 4.36Å; L28-K30 HydrophobicContact CG-CG 4.21Å; L28-I104 HydrophobicContact CD1-CG2 4.39Å; L28-A144 CarbonylContact C-O 3.37Å; L28-A144 WeakPolarHBondContact CA-O 3.48Å; L28-A144 HydrophobicContact CD1-CB 3.88Å; L28-I146 HydrophobicContact CD1-CD1 3.86Å; L28-I146 HydrophobicContact CD1-CG1 3.96Å; L28-I146 HydrophobicContact CD2-CD1 4.23Å; L28-M156 HydrophobicContact CD2-CE 3.6Å; L28-F164 HydrophobicContact CB-CB 3.51Å; L28-F164 HydrophobicContact CB-CD1 4.14Å; L28-F164 HydrophobicContact CB-CG 3.85Å; L28-V165 PolarHBondContact N-O 3.37Å; L28-V166 HydrophobicContact CB-CG2 4.39Å; L28-V166 HydrophobicContact CD2-CG2 4.08Å; L28-V166 CarbonylContact O-C 3.56Å; L28-V166 WeakPolarHBondContact O-CA 3.46Å; L28-I167 PolarHBondContact O-N 2.89Å
29L96.2Very high93.5Very high2 Ų233.1 Ų33.11%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-86.3120.7175.2-55.6-177.3000109.6I27 K37 L40 Y100 I143 A144 A145 I146 I167 V169I27-L29 HydrophobicContact CG2-CD2 3.68Å; I27-L29 HydrophobicContact CG2-CG 4.31Å; L29-K37 HydrophobicContact CB-CB 4.17Å; L29-K37 HydrophobicContact CB-CD 4.06Å; L29-K37 HydrophobicContact CB-CG 4.06Å; L29-K37 HydrophobicContact CD1-CB 4.14Å; L29-K37 WeakPolarHBondContact CD1-O 3.48Å; L29-L40 HydrophobicContact CD1-CB 4.48Å; L29-L40 HydrophobicContact CD1-CD2 4.02Å; L29-L40 HydrophobicContact CD1-CG 4.42Å; L29-L40 HydrophobicContact CD2-CD2 3.66Å; L29-L40 HydrophobicContact CG-CD2 4.49Å; L29-Y100 HydrophobicContact CD1-CE2 4.48Å; L29-I143 HydrophobicContact CD1-CG2 3.81Å; L29-I143 HydrophobicContact CG-CG2 3.96Å; L29-A144 PolarHBondContact N-O 3.4Å; L29-A145 HydrophobicContact CB-CB 4.31Å; L29-A145 CarbonylContact O-C 3.55Å; L29-A145 VanDerWaalsContact O-CA 3.29Å; L29-A145 WeakPolarHBondContact O-CA 3.4Å; L29-I146 PolarHBondContact O-N 2.9Å; L29-I167 WeakPolarHBondContact CA-O 3.38Å; L29-I167 HydrophobicContact CD2-CB 4.03Å; L29-I167 HydrophobicContact CD2-CG2 4.34Å; L29-V169 HydrophobicContact CB-CG2 4.44Å; L29-V169 HydrophobicContact CD2-CG2 4.24Å
30K92.5Very high93.4Very high37 Ų3731.1 Ų31.116%0.16117%0.168CC..EExtended strand (participates in β ladder)trans-117.1140.8176.4-71.2-166.9175.6-165.10110.9L28 E148 V166 I167 H168 V169L28-K30 HydrophobicContact CD2-CG 4.36Å; L28-K30 HydrophobicContact CG-CG 4.21Å; K30-E148 HydrophobicContact CB-CG 4.39Å; K30-V166 HydrophobicContact CB-CG1 4.39Å; K30-V166 HydrophobicContact CD-CG1 3.76Å; K30-V166 HydrophobicContact CG-CG1 3.92Å; K30-I167 PolarHBondContact N-O 3.07Å; K30-H168 CarbonylContact O-C 3.49Å; K30-H168 VanDerWaalsContact O-CA 3.32Å; K30-H168 WeakPolarHBondContact O-CA 3.34Å; K30-V169 PolarHBondContact O-N 2.63Å
31G90.3Very high93.3Very high1 Ų130 Ų301%0.0116%0.163CC..EExtended strand (participates in β ladder)trans161177.9171.300000111.7K37 I146 N147 E148 V169G31-K37 PolarHBondContact O-NZ 2.87Å; G31-I146 PolarHBondContact N-O 2.98Å; G31-N147 WeakPolarHBondContact O-CA 3.11Å; G31-E148 PolarHBondContact O-N 2.67Å; G31-V169 WeakPolarHBondContact CA-O 3.43Å
32P86Confident93.3Very high12 Ų1232.1 Ų32.18%0.07817%0.173CC..SBendtrans-69.7163.9-172.728.8-34.5000112.4G34 S35 K37 Y171 E214P32-G34 PolarHBondContact O-N 3.44Å; P32-S35 WeakPolarHBondContact O-CB 3.4Å; P32-S35 PolarHBondContact O-N 3.26Å; P32-S35 PolarHBondContact O-OG 3.15Å; P32-S35 VanDerWaalsContact O-OG 3.07Å; P32-K37 PolarHBondContact O-NZ 3.11Å; P32-Y171 HydrophobicContact CB-CD2 4.4Å; P32-Y171 HydrophobicContact CB-CE1 4.44Å; P32-Y171 HydrophobicContact CB-CE2 3.6Å; P32-Y171 HydrophobicContact CG-CD1 4.39Å; P32-Y171 HydrophobicContact CG-CD2 3.64Å; P32-Y171 HydrophobicContact CG-CE1 4.11Å; P32-Y171 HydrophobicContact CG-CE2 3.32Å; P32-Y171 HydrophobicContact CG-CG 4.18Å; P32-E214 WeakPolarHBondContact CA-OE2 2.99Å; P32-E214 WeakPolarHBondContact CB-OE2 3.41Å
33T85.1Confident93.2Very high20 Ų2027.6 Ų27.612%0.12315%0.149CC..THydrogen-bonded Turntrans-62.5130.1-178.5-66.50000110.9S35 Y171 S218T33-S35 VanDerWaalsContact C-N 3.34Å; T33-Y171 VanDerWaalsContact O-CE1 3.28Å; T33-Y171 WeakPolarHBondContact O-CE1 3.4Å; T33-Y171 PolarHBondContact O-OH 2.94Å; T33-S218 WeakPolarHBondContact O-CB 3.37Å
34G84.2Confident93.2Very high18 Ų1822.1 Ų22.119%0.18612%0.12CC..THydrogen-bonded Turntrans7616.5-179.700000115P32 G36P32-G34 PolarHBondContact O-N 3.44Å; G34-G36 PolarHBondContact O-N 3.37Å
35S86.6Confident93.3Very high5 Ų519.5 Ų19.54%0.03511%0.108CC..SBendtrans-74.7-6.7174.668.40000115.2P32 T33 V169P32-S35 WeakPolarHBondContact O-CB 3.4Å; P32-S35 PolarHBondContact O-N 3.26Å; P32-S35 PolarHBondContact O-OG 3.15Å; P32-S35 VanDerWaalsContact O-OG 3.07Å; T33-S35 VanDerWaalsContact C-N 3.34Å; S35-V169 WeakPolarHBondContact CB-O 3.22Å; S35-V169 PolarHBondContact OG-O 3.11Å
36G90.2Very high93.2Very high23 Ų2318.4 Ų18.424%0.23710%0.104CC..SBendtrans98.318.8178.200000115.4G34 T38 K39 L40G34-G36 PolarHBondContact O-N 3.37Å; G36-T38 PolarHBondContact O-N 2.96Å; G36-K39 CarbonylContact O-C 3.59Å; G36-K39 WeakPolarHBondContact O-CA 3.46Å; G36-K39 WeakPolarHBondContact O-CB 3.43Å; G36-K39 PolarHBondContact O-N 3.42Å; G36-K39 VanDerWaalsContact O-N 3.13Å; G36-L40 PolarHBondContact O-N 2.87Å
37K93.6Very high93.2Very high7 Ų721.4 Ų21.43%0.0312%0.122CC..Hα-helixtrans-54.2-51.8175.3-64.5-177.4-67.3-77.10113.3L29 G31 P32 K39 L40 A41 A145 I146 N147 V169L29-K37 HydrophobicContact CB-CB 4.17Å; L29-K37 HydrophobicContact CB-CD 4.06Å; L29-K37 HydrophobicContact CB-CG 4.06Å; L29-K37 HydrophobicContact CD1-CB 4.14Å; L29-K37 WeakPolarHBondContact CD1-O 3.48Å; G31-K37 PolarHBondContact O-NZ 2.87Å; P32-K37 PolarHBondContact O-NZ 3.11Å; K37-K39 VanDerWaalsContact C-N 3.26Å; K37-K39 PolarHBondContact O-N 2.85Å; K37-L40 WeakPolarHBondContact O-CB 3.49Å; K37-L40 PolarHBondContact O-N 3.39Å; K37-A41 PolarHBondContact O-N 3.19Å; K37-A41 VanDerWaalsContact O-N 3.16Å; K37-A145 HydrophobicContact CB-CB 4.38Å; K37-A145 HydrophobicContact CD-CB 4.21Å; K37-I146 WeakPolarHBondContact CE-O 3.25Å; K37-N147 WeakPolarHBondContact CE-OD1 3.01Å; K37-N147 PolarHBondContact NZ-OD1 3.38Å; K37-V169 HydrophobicContact CG-CB 3.9Å; K37-V169 HydrophobicContact CG-CG1 4.11Å; K37-V169 HydrophobicContact CG-CG2 4.24Å
38T94.5Very high93Very high35 Ų3522.7 Ų22.722%0.21513%0.131CC..Hα-helixtrans-60.8-39.6175.9-38.60000110.9G36 L40 A41 E42 Y100G36-T38 PolarHBondContact O-N 2.96Å; T38-L40 VanDerWaalsContact C-N 3.35Å; T38-L40 PolarHBondContact O-N 2.87Å; T38-A41 PolarHBondContact O-N 3.47Å; T38-E42 WeakPolarHBondContact O-CG 3.48Å; T38-E42 PolarHBondContact O-N 2.96Å; T38-Y100 HydrophobicContact CG2-CE1 4.06Å; T38-Y100 PolarHBondContact OG1-OH 3.16Å
39K92.7Very high93Very high47 Ų4729.8 Ų29.820%0.20417%0.168CC..Hα-helixtrans-63.3-39.1178.6-165.672.9-149.1150.20112.7K4 Y6 G36 K37 E42 T43K4-K39 WeakPolarHBondContact O-CE 3.44Å; K4-K39 PolarHBondContact O-NZ 3.32Å; Y6-K39 HydrophobicContact CD2-CB 4.31Å; Y6-K39 HydrophobicContact CD2-CG 4.47Å; G36-K39 CarbonylContact O-C 3.59Å; G36-K39 WeakPolarHBondContact O-CA 3.46Å; G36-K39 WeakPolarHBondContact O-CB 3.43Å; G36-K39 PolarHBondContact O-N 3.42Å; G36-K39 VanDerWaalsContact O-N 3.13Å; K37-K39 VanDerWaalsContact C-N 3.26Å; K37-K39 PolarHBondContact O-N 2.85Å; K39-E42 IonicContact NZ-OE2 2.65Å; K39-E42 PolarHBondContact NZ-OE2 3.26Å; K39-T43 WeakPolarHBondContact O-CB 3.44Å; K39-T43 PolarHBondContact O-N 3.29Å; K39-T43 PolarHBondContact O-OG1 3.48Å
40L95.5Very high93Very high1 Ų130.9 Ų30.91%0.00518%0.175CC..Hα-helixtrans-60.3-48.1172.8173.660.9000110.8Y6 V13 F14 A17 L29 G36 K37 T38 T43 L44 V169Y6-L40 HydrophobicContact CD1-CB 4.4Å; Y6-L40 HydrophobicContact CD1-CD1 3.68Å; Y6-L40 HydrophobicContact CD2-CB 3.69Å; Y6-L40 HydrophobicContact CD2-CD1 4.5Å; Y6-L40 HydrophobicContact CE1-CD1 3.89Å; Y6-L40 HydrophobicContact CE2-CB 3.84Å; Y6-L40 HydrophobicContact CG-CB 3.98Å; Y6-L40 HydrophobicContact CG-CD1 4Å; V13-L40 HydrophobicContact CG1-CD1 4.46Å; V13-L40 HydrophobicContact CG1-CD2 3.73Å; F14-L40 HydrophobicContact CB-CD1 4.26Å; F14-L40 HydrophobicContact CD2-CD1 3.7Å; F14-L40 HydrophobicContact CG-CD1 4.45Å; A17-L40 HydrophobicContact CB-CD1 4.36Å; L29-L40 HydrophobicContact CD1-CB 4.48Å; L29-L40 HydrophobicContact CD1-CD2 4.02Å; L29-L40 HydrophobicContact CD1-CG 4.42Å; L29-L40 HydrophobicContact CD2-CD2 3.66Å; L29-L40 HydrophobicContact CG-CD2 4.49Å; G36-L40 PolarHBondContact O-N 2.87Å; K37-L40 WeakPolarHBondContact O-CB 3.49Å; K37-L40 PolarHBondContact O-N 3.39Å; T38-L40 VanDerWaalsContact C-N 3.35Å; T38-L40 PolarHBondContact O-N 2.87Å; L40-T43 PolarHBondContact O-N 3.38Å; L40-L44 WeakPolarHBondContact O-CB 3.47Å; L40-L44 PolarHBondContact O-N 3.02Å; L40-V169 HydrophobicContact CD2-CG2 3.86Å
41A97.2Very high93.3Very high1 Ų132.3 Ų32.31%0.00819%0.188CC..Hα-helixtrans-64.2-43.8178.900000112.8K37 T38 T43 L44 S45 M52 Y100 I143K37-A41 PolarHBondContact O-N 3.19Å; K37-A41 VanDerWaalsContact O-N 3.16Å; T38-A41 PolarHBondContact O-N 3.47Å; A41-T43 VanDerWaalsContact C-N 3.35Å; A41-T43 PolarHBondContact O-N 2.92Å; A41-L44 PolarHBondContact O-N 3.25Å; A41-S45 WeakPolarHBondContact O-CB 3.34Å; A41-S45 PolarHBondContact O-N 3.37Å; A41-M52 HydrophobicContact CB-SD 3.92Å; A41-Y100 HydrophobicContact CB-CD2 3.45Å; A41-Y100 VanDerWaalsContact CB-CD2 3.45Å; A41-Y100 HydrophobicContact CB-CE2 3.6Å; A41-Y100 HydrophobicContact CB-CG 4.36Å; A41-I143 HydrophobicContact CB-CD1 4.19Å; A41-I143 HydrophobicContact CB-CG2 4.3Å
42E96.3Very high93.6Very high63 Ų6334.6 Ų34.629%0.29420%0.199SC..Hα-helixtrans-58.6-45.6173.6-72.9173.5177.400111.9L3 T38 K39 L44 S45 E46 M52L3-E42 HydrophobicContact CD2-CB 4.35Å; T38-E42 WeakPolarHBondContact O-CG 3.48Å; T38-E42 PolarHBondContact O-N 2.96Å; K39-E42 IonicContact NZ-OE2 2.65Å; K39-E42 PolarHBondContact NZ-OE2 3.26Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-S45 WeakPolarHBondContact O-CB 3.48Å; E42-S45 PolarHBondContact O-N 3.27Å; E42-E46 PolarHBondContact O-N 2.98Å; E42-M52 HydrophobicContact CG-CE 3.86Å
43T95.3Very high94.2Very high3 Ų335.9 Ų35.92%0.01820%0.204CC..Hα-helixtrans-65.9-40.9-179.8-56.10000110.8H5 Y6 F14 K39 L40 A41 E46 V47H5-T43 HydrophobicContact CB-CG2 3.75Å; Y6-T43 WeakPolarHBondContact CB-OG1 3.36Å; Y6-T43 PolarHBondContact N-OG1 3.21Å; F14-T43 HydrophobicContact CD2-CG2 4.32Å; F14-T43 HydrophobicContact CE2-CG2 3.67Å; F14-T43 HydrophobicContact CZ-CG2 4.35Å; K39-T43 WeakPolarHBondContact O-CB 3.44Å; K39-T43 PolarHBondContact O-N 3.29Å; K39-T43 PolarHBondContact O-OG1 3.48Å; L40-T43 PolarHBondContact O-N 3.38Å; A41-T43 VanDerWaalsContact C-N 3.35Å; A41-T43 PolarHBondContact O-N 2.92Å; T43-E46 PolarHBondContact O-N 3.35Å; T43-V47 HydrophobicContact CG2-CG2 4.36Å; T43-V47 WeakPolarHBondContact O-CB 3.35Å; T43-V47 VanDerWaalsContact O-CG2 3.27Å; T43-V47 WeakPolarHBondContact O-CG2 3.46Å; T43-V47 PolarHBondContact O-N 3.49Å
44L96.6Very high94.8Very high2 Ų238.8 Ų38.81%0.0122%0.217CC..Hα-helixtrans-62.5-45.9175.5-179.361.6000110.9F14 A17 K18 F21 I27 L40 A41 E42 E46 V47 V48 I143F14-L44 HydrophobicContact CE2-CB 4.38Å; A17-L44 HydrophobicContact CB-CD2 4.27Å; K18-L44 HydrophobicContact CB-CD1 4Å; K18-L44 HydrophobicContact CG-CD1 4.2Å; F21-L44 HydrophobicContact CB-CD1 4.49Å; F21-L44 HydrophobicContact CB-CD2 4.16Å; F21-L44 HydrophobicContact CD2-CD2 4.43Å; I27-L44 HydrophobicContact CD1-CD2 4.37Å; L40-L44 WeakPolarHBondContact O-CB 3.47Å; L40-L44 PolarHBondContact O-N 3.02Å; A41-L44 PolarHBondContact O-N 3.25Å; E42-L44 VanDerWaalsContact C-N 3.34Å; L44-E46 VanDerWaalsContact C-N 3.31Å; L44-E46 PolarHBondContact O-N 3.5Å; L44-V47 PolarHBondContact O-N 3Å; L44-V48 HydrophobicContact CD1-CG1 3.84Å; L44-V48 WeakPolarHBondContact O-CG1 3.1Å; L44-V48 WeakPolarHBondContact O-CG2 3.46Å; L44-V48 PolarHBondContact O-N 3.36Å; L44-I143 HydrophobicContact CD2-CD1 3.84Å
45S97.4Very high95.3Very high17 Ų1738.4 Ų38.412%0.11921%0.211CC..Hα-helixtrans-55-44.3175.5174.30000112.5A41 E42 D49 T50A41-S45 WeakPolarHBondContact O-CB 3.34Å; A41-S45 PolarHBondContact O-N 3.37Å; E42-S45 WeakPolarHBondContact O-CB 3.48Å; E42-S45 PolarHBondContact O-N 3.27Å; S45-D49 PolarHBondContact O-N 3.18Å; S45-D49 VanDerWaalsContact O-N 3.17Å; S45-T50 WeakPolarHBondContact CB-O 3.41Å; S45-T50 PolarHBondContact O-N 2.94Å; S45-T50 PolarHBondContact OG-O 3.46Å
46E96.1Very high95.6Very high80 Ų8042.9 Ų42.937%0.37423%0.234SC..Hα-helixtrans-67.3-46.4176.6-175.3178.4-162.100112.2L3 H5 E42 T43 L44 V48 D49L3-E46 VanDerWaalsContact CB-OE2 3.31Å; L3-E46 WeakPolarHBondContact CB-OE2 3.47Å; H5-E46 IonicContact CE1-OE1 3.48Å; H5-E46 IonicContact CE1-OE2 3.76Å; H5-E46 PolarHBondContact CE1-OE2 3.43Å; H5-E46 IonicContact ND1-OE2 3.93Å; H5-E46 PolarHBondContact ND1-OE2 2.97Å; E42-E46 PolarHBondContact O-N 2.98Å; T43-E46 PolarHBondContact O-N 3.35Å; L44-E46 VanDerWaalsContact C-N 3.31Å; L44-E46 PolarHBondContact O-N 3.5Å; E46-V48 VanDerWaalsContact C-N 3.32Å; E46-V48 PolarHBondContact O-N 2.85Å; E46-D49 PolarHBondContact O-N 3.08Å; E46-D49 VanDerWaalsContact O-N 3.15Å
47V95.4Very high95.7Very high73 Ų7342 Ų4244%0.44222%0.224SC..Hα-helixtrans-66.1-34.2-176.8166.10000112.5F14 T43 L44 D49F14-V47 HydrophobicContact CZ-CB 4.06Å; F14-V47 HydrophobicContact CZ-CG1 4.08Å; F14-V47 HydrophobicContact CZ-CG2 3.88Å; T43-V47 HydrophobicContact CG2-CG2 4.36Å; T43-V47 WeakPolarHBondContact O-CB 3.35Å; T43-V47 VanDerWaalsContact O-CG2 3.27Å; T43-V47 WeakPolarHBondContact O-CG2 3.46Å; T43-V47 PolarHBondContact O-N 3.49Å; L44-V47 PolarHBondContact O-N 3Å; V47-D49 VanDerWaalsContact C-N 3.34Å
48V95.2Very high95.5Very high30 Ų3044.1 Ų44.118%0.18224%0.24CC..THydrogen-bonded Turntrans-93.34.9177.7-520000112.8F21 L44 E46 T50 I98F21-V48 HydrophobicContact CD1-CB 4.35Å; F21-V48 HydrophobicContact CD1-CG1 3.93Å; F21-V48 HydrophobicContact CD1-CG2 4.38Å; F21-V48 HydrophobicContact CE1-CB 3.79Å; F21-V48 HydrophobicContact CE1-CG1 3.9Å; F21-V48 HydrophobicContact CE1-CG2 3.72Å; F21-V48 HydrophobicContact CE2-CG2 4Å; F21-V48 HydrophobicContact CZ-CB 4.1Å; F21-V48 HydrophobicContact CZ-CG2 3.5Å; F21-V48 VanDerWaalsContact CZ-CG2 3.5Å; L44-V48 HydrophobicContact CD1-CG1 3.84Å; L44-V48 WeakPolarHBondContact O-CG1 3.1Å; L44-V48 WeakPolarHBondContact O-CG2 3.46Å; L44-V48 PolarHBondContact O-N 3.36Å; E46-V48 VanDerWaalsContact C-N 3.32Å; E46-V48 PolarHBondContact O-N 2.85Å; V48-T50 PolarHBondContact O-N 2.72Å; V48-T50 PolarHBondContact O-OG1 2.97Å; V48-I98 HydrophobicContact CG2-CD1 4.29Å
49D96Very high95.1Very high148 Ų14846.1 Ų46.179%0.79125%0.252SS*.THydrogen-bonded Turntrans48.142.1-179.1-166.133.6000112.9S45 E46 V47S45-D49 PolarHBondContact O-N 3.18Å; S45-D49 VanDerWaalsContact O-N 3.17Å; E46-D49 PolarHBondContact O-N 3.08Å; E46-D49 VanDerWaalsContact O-N 3.15Å; V47-D49 VanDerWaalsContact C-N 3.34Å
50T96.5Very high94.9Very high25 Ų2549.8 Ų49.815%0.15327%0.274CS..  trans-122.8116.7-179.6-58.90000108.7S45 V48 I98S45-T50 WeakPolarHBondContact CB-O 3.41Å; S45-T50 PolarHBondContact O-N 2.94Å; S45-T50 PolarHBondContact OG-O 3.46Å; V48-T50 PolarHBondContact O-N 2.72Å; V48-T50 PolarHBondContact O-OG1 2.97Å; T50-I98 HydrophobicContact CG2-CG1 4.08Å
51P97.9Very high94.7Very high68 Ų6850.4 Ų50.444%0.44228%0.277SS..  trans-57.2155.3-179.4-24.633000113H97 I98P51-H97 VanDerWaalsContact O-CB 3.26Å; P51-H97 WeakPolarHBondContact O-CB 3.16Å; P51-I98 PolarHBondContact O-N 2.7Å
52M97.8Very high94.4Very high48 Ų4853.8 Ų53.824%0.23630%0.295CS..EExtended strand (participates in β ladder)trans-119.7127.9-178-176.2176.575.400111.1A41 E42 I98 Y100A41-M52 HydrophobicContact CB-SD 3.92Å; E42-M52 HydrophobicContact CG-CE 3.86Å; M52-I98 CarbonylContact C-O 3.49Å; M52-I98 WeakPolarHBondContact CA-O 3.5Å; M52-I98 HydrophobicContact CB-CB 4.17Å; M52-I98 HydrophobicContact CB-CG2 4.44Å; M52-I98 HydrophobicContact CG-CB 4.15Å; M52-I98 HydrophobicContact CG-CG2 3.9Å; M52-I98 HydrophobicContact SD-CG2 4.39Å; M52-Y100 VanDerWaalsContact SD-CB 3.52Å; M52-Y100 HydrophobicContact SD-CD2 4.38Å; M52-Y100 HydrophobicContact SD-CG 4.01Å
53H98.1Very high94.2Very high39 Ų3952.3 Ų52.318%0.18129%0.29CS..EExtended strand (participates in β ladder)trans-99.9119.4170.1-66.2-87000108.9P88 A92 E95 H97 I98 Y100H53-P88 HydrophobicContact CB-CB 4.38Å; H53-A92 HydrophobicContact CB-CB 4.18Å; H53-E95 IonicContact CE1-OE2 3.34Å; H53-E95 PolarHBondContact CE1-OE2 3.02Å; H53-E95 IonicContact NE2-OE2 2.83Å; H53-E95 PolarHBondContact NE2-OE2 3.14Å; H53-H97 AromaticContact CD2-ND1 3.65Å; H53-H97 AromaticContact NE2-CG 3.88Å; H53-H97 AromaticContact NE2-ND1 3.1Å; H53-H97 PolarHBondContact NE2-ND1 3.25Å; H53-I98 PolarHBondContact N-O 2.96Å; H53-Y100 PolarHBondContact O-N 3.19Å
54Q96.9Very high94.1Very high82 Ų8256 Ų5638%0.38331%0.307SS..EExtended strand (participates in β ladder)trans-99135.7-177.6174.7162.311.700112.1N56 Y100Q54-N56 PolarHBondContact NE2-OD1 3.3Å; Q54-Y100 CarbonylContact C-O 3.6Å; Q54-Y100 WeakPolarHBondContact CA-O 3.34Å; Q54-Y100 HydrophobicContact CB-CD1 4.4Å; Q54-Y100 HydrophobicContact CG-CD1 3.89Å
55V95.8Very high94Very high10 Ų1059 Ų596%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-121.7127.6168.9177.90000107.6L61 L66 P88 L99 Y100 I101 D102V55-L61 HydrophobicContact CG1-CD1 4.3Å; V55-L66 HydrophobicContact CB-CD2 4.47Å; V55-L66 HydrophobicContact CG1-CD2 3.57Å; V55-L66 HydrophobicContact CG2-CD2 4.24Å; V55-P88 HydrophobicContact CG2-CB 3.68Å; V55-P88 HydrophobicContact CG2-CG 3.42Å; V55-P88 VanDerWaalsContact CG2-CG 3.42Å; V55-L99 HydrophobicContact CG2-CD1 4.01Å; V55-Y100 PolarHBondContact N-O 3.21Å; V55-I101 CarbonylContact O-C 3.55Å; V55-I101 WeakPolarHBondContact O-CA 3.48Å; V55-D102 PolarHBondContact O-N 3.2Å
56N93.1Very high93.9Very high99 Ų9958.2 Ų58.253%0.52932%0.323SS..EExtended strand (participates in β ladder)trans-100.6117.1169.4-60.2-45.6000108.2Q54 D102Q54-N56 PolarHBondContact NE2-OD1 3.3Å; N56-D102 VanDerWaalsContact OD1-CB 3.25Å; N56-D102 WeakPolarHBondContact OD1-CB 3.45Å
57C91.3Very high93.9Very high3 Ų354.4 Ų54.42%0.0231%0.305CS..  trans-79.5140.8179.6-70.40000111.2L61 I101 D102 E103 M106 A107C57-L61 HydrophobicContact CB-CD2 4.07Å; C57-L61 WeakPolarHBondContact SG-CD2 3.25Å; C57-I101 WeakPolarHBondContact SG-CG2 3.33Å; C57-D102 VanDerWaalsContact CB-O 3.31Å; C57-D102 WeakPolarHBondContact CB-O 3.32Å; C57-D102 PolarHBondContact N-O 2.63Å; C57-E103 VanDerWaalsContact CB-O 3.23Å; C57-E103 WeakPolarHBondContact CB-O 3.49Å; C57-M106 HydrophobicContact CB-CB 4.48Å; C57-A107 HydrophobicContact CB-CB 4.03Å
58S89.3Confident94Very high52 Ų5251 Ų5136%0.36429%0.285SS..  trans-140.5172172.373.10000109.2D60 L61 M106S58-D60 PolarHBondContact O-N 3.35Å; S58-D60 PolarHBondContact OG-N 3.02Å; S58-L61 VanDerWaalsContact O-CB 3.26Å; S58-L61 WeakPolarHBondContact O-CB 3.49Å; S58-L61 PolarHBondContact O-N 3.08Å; S58-L61 VanDerWaalsContact O-N 3.11Å; S58-L61 PolarHBondContact OG-N 2.7Å; S58-M106 CarbonylContact C-O 3.6Å
59V86.4Confident94Very high77 Ų7753.8 Ų53.847%0.46729%0.294SS..THydrogen-bonded Turntrans-61.7-21.2174-64.40000113.1M106 K108V59-M106 WeakPolarHBondContact CA-O 3.49Å; V59-M106 PolarHBondContact N-O 3.36Å; V59-K108 WeakPolarHBondContact O-CD 3.32Å; V59-K108 WeakPolarHBondContact O-CE 3.18Å; V59-K108 PolarHBondContact O-NZ 3.09Å
60D88Confident94Very high125 Ų12552.3 Ų52.367%0.66828%0.281SS*.THydrogen-bonded Turntrans-98.22.2179.8-61.3-43.4000112.9S58 D62S58-D60 PolarHBondContact O-N 3.35Å; S58-D60 PolarHBondContact OG-N 3.02Å; D60-D62 PolarHBondContact O-N 2.85Å
61L91.4Very high93.9Very high14 Ų1453.6 Ų53.67%0.07329%0.289CS..  trans-62.1121.1175.7-173.277.5000110.5V55 C57 S58 L66 A107 T111V55-L61 HydrophobicContact CG1-CD1 4.3Å; C57-L61 HydrophobicContact CB-CD2 4.07Å; C57-L61 WeakPolarHBondContact SG-CD2 3.25Å; S58-L61 VanDerWaalsContact O-CB 3.26Å; S58-L61 WeakPolarHBondContact O-CB 3.49Å; S58-L61 PolarHBondContact O-N 3.08Å; S58-L61 VanDerWaalsContact O-N 3.11Å; S58-L61 PolarHBondContact OG-N 2.7Å; L61-L66 HydrophobicContact CD1-CD2 4.47Å; L61-L66 HydrophobicContact CD2-CD1 4.17Å; L61-L66 HydrophobicContact CD2-CD2 3.99Å; L61-L66 HydrophobicContact CD2-CG 4.11Å; L61-L66 HydrophobicContact CG-CG 4.37Å; L61-A107 HydrophobicContact CD2-CB 3.98Å; L61-T111 HydrophobicContact CD2-CG2 4.41Å; L61-T111 HydrophobicContact CG-CG2 4.45Å; L61-T111 WeakPolarHBondContact O-CG2 3.49Å; L61-T111 PolarHBondContact O-OG1 3.29Å
62D91.7Very high93.7Very high71 Ų7155.3 Ų55.338%0.3829%0.293SS..  trans-105173.8175.966.514.5000112.3D60 E64 S65D60-D62 PolarHBondContact O-N 2.85Å; D62-E64 VanDerWaalsContact C-N 3.32Å; D62-E64 PolarHBondContact OD1-N 3.4Å; D62-S65 WeakPolarHBondContact OD1-CB 3.3Å; D62-S65 PolarHBondContact OD1-N 3.04Å; D62-S65 PolarHBondContact OD1-OG 3.17Å
63T92.2Very high93.6Very high32 Ų3258.4 Ų58.420%0.19631%0.305CS..Hα-helixtrans-71-29-178.8-60.20000111.9L66 L67 V114 P128 Y129T63-L66 PolarHBondContact O-N 2.9Å; T63-L67 HydrophobicContact CG2-CD1 3.7Å; T63-L67 HydrophobicContact CG2-CG 3.9Å; T63-L67 WeakPolarHBondContact O-CB 3.4Å; T63-L67 PolarHBondContact O-N 3.04Å; T63-V114 HydrophobicContact CG2-CG2 4.09Å; T63-P128 HydrophobicContact CG2-CG 4.45Å; T63-Y129 WeakPolarHBondContact CB-OH 3.32Å; T63-Y129 HydrophobicContact CG2-CE2 4.06Å; T63-Y129 WeakPolarHBondContact CG2-OH 3.44Å
64E94Very high93.4Very high82 Ų8260.7 Ų60.738%0.38332%0.322SS..Hα-helixtrans-67.1-38.6177.2-69.5-163.515600112.1D62 L66 G68 F69 Y129D62-E64 VanDerWaalsContact C-N 3.32Å; D62-E64 PolarHBondContact OD1-N 3.4Å; E64-L66 PolarHBondContact O-N 3.12Å; E64-G68 VanDerWaalsContact CA-O 3.3Å; E64-G68 WeakPolarHBondContact CA-O 3.46Å; E64-G68 CarbonylContact O-C 3.56Å; E64-G68 WeakPolarHBondContact O-CA 3.48Å; E64-G68 PolarHBondContact O-N 3.46Å; E64-F69 HydrophobicContact CB-CB 4.22Å; E64-F69 HydrophobicContact CG-CB 4.33Å; E64-Y129 HydrophobicContact CG-CE1 4.21Å; E64-Y129 HydrophobicContact CG-CE2 4.13Å; E64-Y129 WeakPolarHBondContact CG-OH 3.42Å; E64-Y129 PolarHBondContact N-OH 3.02Å
65S93.8Very high93.1Very high65 Ų6558.9 Ų58.946%0.45532%0.315SS..Hα-helixtrans-62.8-28.3175.6-60.30000112.6D62 P88D62-S65 WeakPolarHBondContact OD1-CB 3.3Å; D62-S65 PolarHBondContact OD1-N 3.04Å; D62-S65 PolarHBondContact OD1-OG 3.17Å; S65-P88 WeakPolarHBondContact O-CD 3.4Å; S65-P88 WeakPolarHBondContact O-CG 3.47Å
66L95.7Very high93Very high0 Ų064 Ų640%036%0.358CS..Hα-helixtrans-84.9-51.3176.7-69.7179.6000112.5V55 L61 T63 E64 G87 P88 V89 T111 V114 L115V55-L66 HydrophobicContact CB-CD2 4.47Å; V55-L66 HydrophobicContact CG1-CD2 3.57Å; V55-L66 HydrophobicContact CG2-CD2 4.24Å; L61-L66 HydrophobicContact CD1-CD2 4.47Å; L61-L66 HydrophobicContact CD2-CD1 4.17Å; L61-L66 HydrophobicContact CD2-CD2 3.99Å; L61-L66 HydrophobicContact CD2-CG 4.11Å; L61-L66 HydrophobicContact CG-CG 4.37Å; T63-L66 PolarHBondContact O-N 2.9Å; E64-L66 PolarHBondContact O-N 3.12Å; L66-G87 CarbonylContact O-C 3.59Å; L66-P88 VanDerWaalsContact O-CD 3.31Å; L66-P88 WeakPolarHBondContact O-CD 3.29Å; L66-V89 HydrophobicContact CB-CG2 3.99Å; L66-V89 HydrophobicContact CD2-CG2 4.11Å; L66-V89 VanDerWaalsContact O-CB 3.32Å; L66-V89 WeakPolarHBondContact O-CB 3.28Å; L66-V89 VanDerWaalsContact O-CG2 3.32Å; L66-V89 WeakPolarHBondContact O-CG2 3.49Å; L66-V89 PolarHBondContact O-N 3.31Å; L66-T111 HydrophobicContact CD1-CG2 3.75Å; L66-V114 HydrophobicContact CD1-CG1 3.98Å; L66-L115 HydrophobicContact CD1-CD1 4.49Å; L66-L115 HydrophobicContact CD1-CG 4.48Å
67L96.1Very high93Very high0 Ų066.3 Ų66.30%037%0.366CS..Hα-helixtrans-98-22.8-167.6-58.1-166000114.1T63 F84 G87 V89 I90 V114 I125 P128 Y129T63-L67 HydrophobicContact CG2-CD1 3.7Å; T63-L67 HydrophobicContact CG2-CG 3.9Å; T63-L67 WeakPolarHBondContact O-CB 3.4Å; T63-L67 PolarHBondContact O-N 3.04Å; L67-F84 WeakPolarHBondContact O-CE1 3.31Å; L67-F84 WeakPolarHBondContact O-CZ 3.46Å; L67-G87 VanDerWaalsContact C-CA 3.47Å; L67-G87 VanDerWaalsContact C-N 3.26Å; L67-G87 PolarHBondContact O-N 3.46Å; L67-V89 HydrophobicContact CD2-CB 4.11Å; L67-V89 HydrophobicContact CD2-CG1 4.17Å; L67-I90 HydrophobicContact CB-CG1 4.35Å; L67-I90 HydrophobicContact CD2-CD1 4.19Å; L67-I90 HydrophobicContact CD2-CG1 4.46Å; L67-I90 WeakPolarHBondContact O-CG1 3.44Å; L67-V114 HydrophobicContact CD1-CG2 3.62Å; L67-V114 HydrophobicContact CD2-CG2 4.34Å; L67-V114 HydrophobicContact CG-CG2 4.25Å; L67-I125 HydrophobicContact CD1-CD1 3.88Å; L67-I125 HydrophobicContact CD2-CD1 3.44Å; L67-I125 VanDerWaalsContact CD2-CD1 3.44Å; L67-I125 HydrophobicContact CG-CD1 4.31Å; L67-P128 VanDerWaalsContact CD1-CD 3.42Å; L67-P128 HydrophobicContact CD1-CG 3.94Å; L67-Y129 HydrophobicContact CB-CE2 4.24Å; L67-Y129 HydrophobicContact CD1-CE2 4.42Å
68G96.4Very high93.1Very high1 Ų168.8 Ų68.81%0.0139%0.392CS..EExtended strand (participates in β ladder)trans112.1174.9-170.400000112.9E64 F84 V85 G87E64-G68 VanDerWaalsContact CA-O 3.3Å; E64-G68 WeakPolarHBondContact CA-O 3.46Å; E64-G68 CarbonylContact O-C 3.56Å; E64-G68 WeakPolarHBondContact O-CA 3.48Å; E64-G68 PolarHBondContact O-N 3.46Å; G68-F84 VanDerWaalsContact C-CZ 3.42Å; G68-V85 CarbonylContact C-O 3.06Å; G68-V85 WeakPolarHBondContact CA-O 3.24Å; G68-G87 VanDerWaalsContact CA-N 3.3Å
69F96.5Very high93.3Very high88 Ų8871.5 Ų71.539%0.38640%0.399SS..EExtended strand (participates in β ladder)trans-138.4158.8-174.456.3-86.9000110.9E64 T71 F84 V85E64-F69 HydrophobicContact CB-CB 4.22Å; E64-F69 HydrophobicContact CG-CB 4.33Å; F69-T71 HydrophobicContact CE2-CG2 4.13Å; F69-F84 WeakPolarHBondContact O-CD2 3.49Å; F69-V85 HydrophobicContact CE1-CB 4.34Å; F69-V85 HydrophobicContact CE1-CG1 4.37Å; F69-V85 HydrophobicContact CE2-CB 4.34Å; F69-V85 HydrophobicContact CE2-CG2 4.36Å; F69-V85 HydrophobicContact CZ-CB 4.14Å; F69-V85 HydrophobicContact CZ-CG1 4.28Å; F69-V85 HydrophobicContact CZ-CG2 4.44Å; F69-V85 PolarHBondContact N-O 3.27Å; F69-V85 PolarHBondContact O-N 3.09Å
70K94.5Very high93.8Very high118 Ų11875.1 Ų75.151%0.51341%0.411SS..EExtended strand (participates in β ladder)trans-85.2136.4169.1-69.7-177.1-178.6173.10109.6I82 V83 F84 Y129K70-I82 HydrophobicContact CB-CG2 4.26Å; K70-I82 HydrophobicContact CD-CG2 4.32Å; K70-V83 WeakPolarHBondContact CA-O 3.4Å; K70-F84 HydrophobicContact CG-CD2 3.87Å; K70-Y129 WeakPolarHBondContact CE-O 3.38Å; K70-Y129 PolarHBondContact NZ-O 3.38Å
71T94.8Very high94.1Very high52 Ų5273.6 Ų73.632%0.31940%0.4SS..EExtended strand (participates in β ladder)trans-141.4167.4173.8-168.30000110.2F69 K73 I82 V83 V85F69-T71 HydrophobicContact CE2-CG2 4.13Å; T71-K73 HydrophobicContact CG2-CG 4.4Å; T71-I82 WeakPolarHBondContact O-CA 3.47Å; T71-V83 HydrophobicContact CG2-CG2 3.8Å; T71-V83 PolarHBondContact N-O 3.38Å; T71-V83 PolarHBondContact O-N 2.98Å; T71-V83 VanDerWaalsContact O-O 3.11Å; T71-V85 HydrophobicContact CG2-CG2 3.77Å
72I94.8Very high94.2Very high103 Ų10379 Ų7953%0.52843%0.428SS..EExtended strand (participates in β ladder)trans-100.1127176.2-59.9172000107.6Q80 E81 I82I72-Q80 HydrophobicContact CG2-CB 3.79Å; I72-Q80 HydrophobicContact CG2-CG 4.13Å; I72-E81 WeakPolarHBondContact CA-O 3.39Å; I72-I82 HydrophobicContact CG1-CG1 4.31Å
73K94.2Very high94.3Very high113 Ų11377.2 Ų77.249%0.49142%0.419SS..EExtended strand (participates in β ladder)trans-117.3146.8170.1-72-169.6-172.9176.30109.6T71 E81 V83T71-K73 HydrophobicContact CG2-CG 4.4Å; K73-E81 PolarHBondContact N-O 3.44Å; K73-E81 PolarHBondContact O-N 2.95Å; K73-V83 HydrophobicContact CB-CG1 4.49Å; K73-V83 HydrophobicContact CB-CG2 4.12Å; K73-V83 HydrophobicContact CD-CG2 3.76Å; K73-V83 HydrophobicContact CG-CG2 3.65Å
74T93.9Very high94.5Very high88 Ų8877.9 Ų77.954%0.5442%0.419SS..EExtended strand (participates in β ladder)trans-88.2121.4168.9-52.80000108G78 Q79T74-G78 VanDerWaalsContact CG2-C 3.47Å; T74-Q79 CarbonylContact C-O 3.56Å; T74-Q79 VanDerWaalsContact CA-O 3.31Å; T74-Q79 WeakPolarHBondContact CA-O 3.25Å
75N92.1Very high94.6Very high44 Ų4475.7 Ų75.724%0.23541%0.412CS..  trans-75.4176.3176.770.716.1000111.2E77 G78 Q79N75-E77 PolarHBondContact O-N 3.32Å; N75-E77 VanDerWaalsContact O-N 3.09Å; N75-E77 WeakPolarHBondContact OD1-CA 3.38Å; N75-E77 WeakPolarHBondContact OD1-CB 3.41Å; N75-E77 PolarHBondContact OD1-N 3.46Å; N75-G78 PolarHBondContact O-N 2.94Å; N75-G78 PolarHBondContact OD1-N 3.4Å; N75-Q79 PolarHBondContact N-O 2.99Å; N75-Q79 WeakPolarHBondContact OD1-CB 3.31Å; N75-Q79 PolarHBondContact OD1-N 3.46Å; N75-Q79 PolarHBondContact OD1-O 2.87Å
76A92.7Very high94.8Very high117 Ų11774.4 Ų74.497%0.96740%0.399SS*.THydrogen-bonded Turntrans-61.3-19.4-178.100000114G78A76-G78 VanDerWaalsContact C-N 3.32Å
77E93.7Very high94.8Very high147 Ų14774.7 Ų74.769%0.68740%0.403SS*.THydrogen-bonded Turntrans-89.23178.7-58.1-179.4-179.300112.7N75 Q79N75-E77 PolarHBondContact O-N 3.32Å; N75-E77 VanDerWaalsContact O-N 3.09Å; N75-E77 WeakPolarHBondContact OD1-CA 3.38Å; N75-E77 WeakPolarHBondContact OD1-CB 3.41Å; N75-E77 PolarHBondContact OD1-N 3.46Å; E77-Q79 VanDerWaalsContact C-N 3.28Å; E77-Q79 HydrophobicContact CB-CG 4.32Å; E77-Q79 PolarHBondContact O-N 2.89Å; E77-Q79 PolarHBondContact OE2-NE2 3.26Å
78G92.9Very high94.9Very high56 Ų5676.1 Ų76.158%0.57741%0.412SS*.SBendtrans798-177.700000114.1T74 N75 A76T74-G78 VanDerWaalsContact CG2-C 3.47Å; N75-G78 PolarHBondContact O-N 2.94Å; N75-G78 PolarHBondContact OD1-N 3.4Å; A76-G78 VanDerWaalsContact C-N 3.32Å
79Q94.4Very high94.9Very high109 Ų10976.1 Ų76.151%0.50941%0.412SS..  trans-89.5141.7179.3-58163.98.800110.3T74 N75 E77T74-Q79 CarbonylContact C-O 3.56Å; T74-Q79 VanDerWaalsContact CA-O 3.31Å; T74-Q79 WeakPolarHBondContact CA-O 3.25Å; N75-Q79 PolarHBondContact N-O 2.99Å; N75-Q79 WeakPolarHBondContact OD1-CB 3.31Å; N75-Q79 PolarHBondContact OD1-N 3.46Å; N75-Q79 PolarHBondContact OD1-O 2.87Å; E77-Q79 VanDerWaalsContact C-N 3.28Å; E77-Q79 HydrophobicContact CB-CG 4.32Å; E77-Q79 PolarHBondContact O-N 2.89Å; E77-Q79 PolarHBondContact OE2-NE2 3.26Å
80Q95.3Very high95Very high152 Ų15271.9 Ų71.971%0.7139%0.393SS*.EExtended strand (participates in β ladder)trans-86.1126.2175.4-70.7-177-13.900110.6I72I72-Q80 HydrophobicContact CG2-CB 3.79Å; I72-Q80 HydrophobicContact CG2-CG 4.13Å
81E95Very high95.2Very high93 Ų9370.2 Ų70.244%0.43539%0.386SS..EExtended strand (participates in β ladder)trans-127.2147.417657.5176.2-156.700111.2I72 K73 V83I72-E81 WeakPolarHBondContact CA-O 3.39Å; K73-E81 PolarHBondContact N-O 3.44Å; K73-E81 PolarHBondContact O-N 2.95Å; E81-V83 HydrophobicContact CG-CG1 3.98Å
82I93.2Very high95.4Very high129 Ų12967.7 Ų67.766%0.66237%0.371SS*.EExtended strand (participates in β ladder)trans-83.9120.9173.5-60.3172.7000107.8K70 T71 I72K70-I82 HydrophobicContact CB-CG2 4.26Å; K70-I82 HydrophobicContact CD-CG2 4.32Å; T71-I82 WeakPolarHBondContact O-CA 3.47Å; I72-I82 HydrophobicContact CG1-CG1 4.31Å
83V94.6Very high95.5Very high32 Ų3262.8 Ų62.819%0.19435%0.345CS..EExtended strand (participates in β ladder)trans-119.7151.4177.1-580000110.3K70 T71 K73 E81K70-V83 WeakPolarHBondContact CA-O 3.4Å; T71-V83 HydrophobicContact CG2-CG2 3.8Å; T71-V83 PolarHBondContact N-O 3.38Å; T71-V83 PolarHBondContact O-N 2.98Å; T71-V83 VanDerWaalsContact O-O 3.11Å; K73-V83 HydrophobicContact CB-CG1 4.49Å; K73-V83 HydrophobicContact CB-CG2 4.12Å; K73-V83 HydrophobicContact CD-CG2 3.76Å; K73-V83 HydrophobicContact CG-CG2 3.65Å; E81-V83 HydrophobicContact CG-CG1 3.98Å
84F95.3Very high95.7Very high46 Ų4661.1 Ų61.120%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-97131.5169.1-171-99.8000109.4L67 G68 F69 K70 D86 N127 Y129 T130L67-F84 WeakPolarHBondContact O-CE1 3.31Å; L67-F84 WeakPolarHBondContact O-CZ 3.46Å; G68-F84 VanDerWaalsContact C-CZ 3.42Å; F69-F84 WeakPolarHBondContact O-CD2 3.49Å; K70-F84 HydrophobicContact CG-CD2 3.87Å; F84-D86 WeakPolarHBondContact CD1-OD1 3.25Å; F84-D86 WeakPolarHBondContact CE1-OD1 3.5Å; F84-N127 WeakPolarHBondContact CE1-ND2 3.39Å; F84-N127 WeakPolarHBondContact CZ-ND2 3.44Å; F84-Y129 AromaticContact CE2-CD2 3.71Å; F84-Y129 HydrophobicContact CE2-CD2 3.71Å; F84-Y129 AromaticContact CE2-CG 3.96Å; F84-Y129 HydrophobicContact CE2-CG 3.96Å; F84-Y129 AromaticContact CZ-CD2 3.99Å; F84-Y129 HydrophobicContact CZ-CD2 3.99Å; F84-T130 HydrophobicContact CB-CG2 3.78Å; F84-T130 HydrophobicContact CD1-CG2 3.85Å; F84-T130 HydrophobicContact CD2-CG2 3.73Å; F84-T130 HydrophobicContact CE1-CG2 4.38Å; F84-T130 HydrophobicContact CE2-CG2 4.28Å; F84-T130 HydrophobicContact CG-CG2 3.49Å; F84-T130 VanDerWaalsContact CG-CG2 3.49Å
85V96.6Very high95.9Very high37 Ų3761.7 Ų61.722%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-104.1112.8175.6178.20000107.8G68 F69 T71 G87G68-V85 CarbonylContact C-O 3.06Å; G68-V85 WeakPolarHBondContact CA-O 3.24Å; F69-V85 HydrophobicContact CE1-CB 4.34Å; F69-V85 HydrophobicContact CE1-CG1 4.37Å; F69-V85 HydrophobicContact CE2-CB 4.34Å; F69-V85 HydrophobicContact CE2-CG2 4.36Å; F69-V85 HydrophobicContact CZ-CB 4.14Å; F69-V85 HydrophobicContact CZ-CG1 4.28Å; F69-V85 HydrophobicContact CZ-CG2 4.44Å; F69-V85 PolarHBondContact N-O 3.27Å; F69-V85 PolarHBondContact O-N 3.09Å; T71-V85 HydrophobicContact CG2-CG2 3.77Å; V85-G87 PolarHBondContact O-N 3.35Å
86D97.3Very high96.2Very high37 Ų3759.9 Ų59.920%0.19833%0.326CS..EExtended strand (participates in β ladder)trans-59.3129.9-179.5-72.8-13.4000111.5F84 I90 K91 K94F84-D86 WeakPolarHBondContact CD1-OD1 3.25Å; F84-D86 WeakPolarHBondContact CE1-OD1 3.5Å; D86-I90 HydrophobicContact CB-CB 4.09Å; D86-I90 HydrophobicContact CB-CG2 3.85Å; D86-K91 HydrophobicContact CB-CG 3.87Å; D86-K91 WeakPolarHBondContact O-CE 3.12Å; D86-K91 PolarHBondContact O-NZ 2.86Å; D86-K91 VanDerWaalsContact O-NZ 3.11Å; D86-K94 IonicContact OD1-NZ 3.58Å; D86-K94 WeakPolarHBondContact OD2-CD 3.41Å; D86-K94 IonicContact OD2-NZ 2.8Å; D86-K94 PolarHBondContact OD2-NZ 3.01Å
87G97.2Very high96.4Very high7 Ų756 Ų567%0.07229%0.288CS..  trans-78.4174.5172.200000112.4L66 L67 G68 V85 V89 I90 K91L66-G87 CarbonylContact O-C 3.59Å; L67-G87 VanDerWaalsContact C-CA 3.47Å; L67-G87 VanDerWaalsContact C-N 3.26Å; L67-G87 PolarHBondContact O-N 3.46Å; G68-G87 VanDerWaalsContact CA-N 3.3Å; V85-G87 PolarHBondContact O-N 3.35Å; G87-V89 VanDerWaalsContact C-N 3.29Å; G87-V89 PolarHBondContact O-N 3.35Å; G87-I90 PolarHBondContact O-N 3.21Å; G87-I90 VanDerWaalsContact O-N 3.17Å; G87-K91 WeakPolarHBondContact O-CG 3.33Å; G87-K91 PolarHBondContact O-N 3.33Å
88P97.4Very high96.7Very high30 Ų3049 Ų4920%0.19526%0.255CS..Hα-helixtrans-57.9-37.9-175.221.8-32.9000113.2H53 V55 S65 L66 A92H53-P88 HydrophobicContact CB-CB 4.38Å; V55-P88 HydrophobicContact CG2-CB 3.68Å; V55-P88 HydrophobicContact CG2-CG 3.42Å; V55-P88 VanDerWaalsContact CG2-CG 3.42Å; S65-P88 WeakPolarHBondContact O-CD 3.4Å; S65-P88 WeakPolarHBondContact O-CG 3.47Å; L66-P88 VanDerWaalsContact O-CD 3.31Å; L66-P88 WeakPolarHBondContact O-CD 3.29Å; P88-A92 VanDerWaalsContact O-CB 3.26Å; P88-A92 WeakPolarHBondContact O-CB 3.28Å; P88-A92 PolarHBondContact O-N 3.42Å
89V97.8Very high96.9Very high0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-63.9-48.5177.9178.50000110.4L66 L67 G87 A92 M93 L99 L115 V118L66-V89 HydrophobicContact CB-CG2 3.99Å; L66-V89 HydrophobicContact CD2-CG2 4.11Å; L66-V89 VanDerWaalsContact O-CB 3.32Å; L66-V89 WeakPolarHBondContact O-CB 3.28Å; L66-V89 VanDerWaalsContact O-CG2 3.32Å; L66-V89 WeakPolarHBondContact O-CG2 3.49Å; L66-V89 PolarHBondContact O-N 3.31Å; L67-V89 HydrophobicContact CD2-CB 4.11Å; L67-V89 HydrophobicContact CD2-CG1 4.17Å; G87-V89 VanDerWaalsContact C-N 3.29Å; G87-V89 PolarHBondContact O-N 3.35Å; V89-A92 PolarHBondContact O-N 3.13Å; V89-M93 HydrophobicContact CG1-SD 4.01Å; V89-M93 WeakPolarHBondContact O-CB 3.45Å; V89-M93 VanDerWaalsContact O-CG 3.23Å; V89-M93 WeakPolarHBondContact O-CG 3.37Å; V89-M93 PolarHBondContact O-N 3.48Å; V89-L99 HydrophobicContact CB-CD2 4.4Å; V89-L99 HydrophobicContact CG1-CD2 4.27Å; V89-L99 HydrophobicContact CG2-CD1 4.31Å; V89-L99 HydrophobicContact CG2-CD2 3.98Å; V89-L115 HydrophobicContact CG1-CD2 4.03Å; V89-L115 HydrophobicContact CG2-CD2 3.82Å; V89-V118 HydrophobicContact CG1-CG1 4.37Å; V89-V118 HydrophobicContact CG1-CG2 4.04Å
90I97.7Very high97.1Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-67.6-43.7-177.4-60.9-48.2000111.3L67 D86 G87 M93 K94 I125 I134L67-I90 HydrophobicContact CB-CG1 4.35Å; L67-I90 HydrophobicContact CD2-CD1 4.19Å; L67-I90 HydrophobicContact CD2-CG1 4.46Å; L67-I90 WeakPolarHBondContact O-CG1 3.44Å; D86-I90 HydrophobicContact CB-CB 4.09Å; D86-I90 HydrophobicContact CB-CG2 3.85Å; G87-I90 PolarHBondContact O-N 3.21Å; G87-I90 VanDerWaalsContact O-N 3.17Å; I90-M93 PolarHBondContact O-N 2.97Å; I90-K94 HydrophobicContact CG2-CD 3.88Å; I90-K94 HydrophobicContact CG2-CG 4.28Å; I90-K94 WeakPolarHBondContact O-CB 2.8Å; I90-K94 WeakPolarHBondContact O-CG 2.88Å; I90-K94 PolarHBondContact O-N 3.39Å; I90-I125 HydrophobicContact CD1-CG2 3.68Å; I90-I134 HydrophobicContact CD1-CD1 3.58Å; I90-I134 HydrophobicContact CG1-CD1 4.18Å; I90-I134 HydrophobicContact CG2-CD1 3.8Å
91K98.1Very high97.2Very high82 Ų8234 Ų3436%0.35717%0.17SC..Hα-helixtrans-57.6-50.7175.1-74.4173.5172.7156.90111.2D86 G87 M93 K94 E95D86-K91 HydrophobicContact CB-CG 3.87Å; D86-K91 WeakPolarHBondContact O-CE 3.12Å; D86-K91 PolarHBondContact O-NZ 2.86Å; D86-K91 VanDerWaalsContact O-NZ 3.11Å; G87-K91 WeakPolarHBondContact O-CG 3.33Å; G87-K91 PolarHBondContact O-N 3.33Å; K91-M93 VanDerWaalsContact C-N 3.3Å; K91-M93 PolarHBondContact O-N 3.22Å; K91-K94 PolarHBondContact O-N 2.98Å; K91-E95 WeakPolarHBondContact O-CB 3.15Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.49Å; K91-E95 PolarHBondContact O-N 3.39Å
92A98.4Very high97.1Very high0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-58.6-42.6179.400000112.3H53 P88 V89 G96 H97 L99 F140H53-A92 HydrophobicContact CB-CB 4.18Å; P88-A92 VanDerWaalsContact O-CB 3.26Å; P88-A92 WeakPolarHBondContact O-CB 3.28Å; P88-A92 PolarHBondContact O-N 3.42Å; V89-A92 PolarHBondContact O-N 3.13Å; A92-G96 PolarHBondContact O-N 2.77Å; A92-H97 HydrophobicContact CB-CB 4.43Å; A92-H97 PolarHBondContact O-N 2.93Å; A92-L99 HydrophobicContact CB-CB 3.95Å; A92-L99 HydrophobicContact CB-CD1 4.44Å; A92-F140 HydrophobicContact CB-CD2 4.1Å; A92-F140 HydrophobicContact CB-CE2 3.77Å; A92-F140 WeakPolarHBondContact O-CD2 3.17Å
93M98.4Very high97Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-65.6-43.2177.7-71.8178.275.800113.1V89 I90 K91 V118 R123 I125 I134 A136 V137 F140V89-M93 HydrophobicContact CG1-SD 4.01Å; V89-M93 WeakPolarHBondContact O-CB 3.45Å; V89-M93 VanDerWaalsContact O-CG 3.23Å; V89-M93 WeakPolarHBondContact O-CG 3.37Å; V89-M93 PolarHBondContact O-N 3.48Å; I90-M93 PolarHBondContact O-N 2.97Å; K91-M93 VanDerWaalsContact C-N 3.3Å; K91-M93 PolarHBondContact O-N 3.22Å; M93-V118 HydrophobicContact CE-CG2 4.28Å; M93-V118 HydrophobicContact CG-CG1 4.44Å; M93-V118 HydrophobicContact SD-CB 4.46Å; M93-V118 HydrophobicContact SD-CG1 4.01Å; M93-V118 HydrophobicContact SD-CG2 3.74Å; M93-R123 WeakPolarHBondContact CE-O 3.29Å; M93-I125 HydrophobicContact CE-CB 4.46Å; M93-I125 HydrophobicContact CE-CG2 3.85Å; M93-I125 HydrophobicContact SD-CG2 3.75Å; M93-I134 HydrophobicContact CB-CG2 4.35Å; M93-I134 HydrophobicContact CE-CG2 4.41Å; M93-A136 HydrophobicContact CB-CB 4.05Å; M93-A136 HydrophobicContact CE-CB 3.96Å; M93-A136 HydrophobicContact CG-CB 4.07Å; M93-A136 WeakPolarHBondContact O-CA 3.4Å; M93-V137 PolarHBondContact O-N 3.32Å; M93-F140 HydrophobicContact CB-CE2 4.49Å; M93-F140 HydrophobicContact CG-CD1 4.35Å; M93-F140 HydrophobicContact CG-CD2 4.09Å; M93-F140 HydrophobicContact CG-CE1 3.98Å; M93-F140 HydrophobicContact CG-CE2 3.69Å; M93-F140 HydrophobicContact CG-CG 4.4Å; M93-F140 HydrophobicContact CG-CZ 3.63Å
94K98Very high96.8Very high78 Ų7825.7 Ų25.734%0.33913%0.127SC..Hα-helixtrans-71.4-32.4-178.8-74.5-178.5178.2174.10112.3D86 I90 K91 E132 I134D86-K94 IonicContact OD1-NZ 3.58Å; D86-K94 WeakPolarHBondContact OD2-CD 3.41Å; D86-K94 IonicContact OD2-NZ 2.8Å; D86-K94 PolarHBondContact OD2-NZ 3.01Å; I90-K94 HydrophobicContact CG2-CD 3.88Å; I90-K94 HydrophobicContact CG2-CG 4.28Å; I90-K94 WeakPolarHBondContact O-CB 2.8Å; I90-K94 WeakPolarHBondContact O-CG 2.88Å; I90-K94 PolarHBondContact O-N 3.39Å; K91-K94 PolarHBondContact O-N 2.98Å; K94-E132 IonicContact NZ-OE1 3.69Å; K94-E132 IonicContact NZ-OE2 3.55Å; K94-I134 HydrophobicContact CG-CG2 4.13Å
95E97.9Very high96.4Very high99 Ų9924 Ų2446%0.46312%0.12SC..Hα-helixtrans-94.3-12.1-176.3-62.4170.6174.600113.3H53 K91 H97H53-E95 IonicContact CE1-OE2 3.34Å; H53-E95 PolarHBondContact CE1-OE2 3.02Å; H53-E95 IonicContact NE2-OE2 2.83Å; H53-E95 PolarHBondContact NE2-OE2 3.14Å; K91-E95 WeakPolarHBondContact O-CB 3.15Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.49Å; K91-E95 PolarHBondContact O-N 3.39Å; E95-H97 VanDerWaalsContact C-N 3.35Å; E95-H97 PolarHBondContact O-CD2 3.23Å; E95-H97 VanDerWaalsContact O-CD2 3.29Å; E95-H97 IonicContact OE2-CE1 3.8Å; E95-H97 PolarHBondContact OE2-CE1 2.99Å; E95-H97 IonicContact OE2-CG 3.56Å; E95-H97 IonicContact OE2-ND1 3.11Å; E95-H97 PolarHBondContact OE2-ND1 3.45Å
96G97.6Very high96Very high6 Ų623.4 Ų23.46%0.06212%0.116CC..THydrogen-bonded Turntrans76.228.1-179.100000112.5A92 G139 F140A92-G96 PolarHBondContact O-N 2.77Å; G96-G139 CarbonylContact O-C 3.55Å; G96-F140 PolarHBondContact O-N 2.82Å
97H98.5Very high95.5Very high36 Ų3621.8 Ų21.817%0.16711%0.107CC..  trans-92.7171-173.8-71.2180000112P51 H53 A92 E95 F140 N141P51-H97 VanDerWaalsContact O-CB 3.26Å; P51-H97 WeakPolarHBondContact O-CB 3.16Å; H53-H97 AromaticContact CD2-ND1 3.65Å; H53-H97 AromaticContact NE2-CG 3.88Å; H53-H97 AromaticContact NE2-ND1 3.1Å; H53-H97 PolarHBondContact NE2-ND1 3.25Å; A92-H97 HydrophobicContact CB-CB 4.43Å; A92-H97 PolarHBondContact O-N 2.93Å; E95-H97 VanDerWaalsContact C-N 3.35Å; E95-H97 PolarHBondContact O-CD2 3.23Å; E95-H97 VanDerWaalsContact O-CD2 3.29Å; E95-H97 IonicContact OE2-CE1 3.8Å; E95-H97 PolarHBondContact OE2-CE1 2.99Å; E95-H97 IonicContact OE2-CG 3.56Å; E95-H97 IonicContact OE2-ND1 3.11Å; E95-H97 PolarHBondContact OE2-ND1 3.45Å; H97-F140 WeakPolarHBondContact O-CA 3.43Å; H97-F140 VanDerWaalsContact O-CD2 3.25Å; H97-F140 WeakPolarHBondContact O-CD2 3.45Å; H97-N141 PolarHBondContact O-N 3.01Å
98I98.6Very high94.8Very high0 Ų025.5 Ų25.50%012%0.122CC..EExtended strand (participates in β ladder)trans-75129.3170.2-63.7170.8000108.6F21 V48 T50 P51 M52 H53 N141 I143F21-I98 HydrophobicContact CD2-CD1 4.3Å; F21-I98 HydrophobicContact CD2-CG1 4.4Å; F21-I98 HydrophobicContact CE2-CD1 3.74Å; F21-I98 HydrophobicContact CE2-CG1 3.65Å; V48-I98 HydrophobicContact CG2-CD1 4.29Å; T50-I98 HydrophobicContact CG2-CG1 4.08Å; P51-I98 PolarHBondContact O-N 2.7Å; M52-I98 CarbonylContact C-O 3.49Å; M52-I98 WeakPolarHBondContact CA-O 3.5Å; M52-I98 HydrophobicContact CB-CB 4.17Å; M52-I98 HydrophobicContact CB-CG2 4.44Å; M52-I98 HydrophobicContact CG-CB 4.15Å; M52-I98 HydrophobicContact CG-CG2 3.9Å; M52-I98 HydrophobicContact SD-CG2 4.39Å; H53-I98 PolarHBondContact N-O 2.96Å; I98-N141 CarbonylContact C-O 3.6Å; I98-N141 WeakPolarHBondContact CA-O 3.13Å; I98-N141 HydrophobicContact CG1-CB 4.47Å; I98-I143 HydrophobicContact CG2-CD1 3.81Å; I98-I143 HydrophobicContact CG2-CG1 4.06Å
99L98.5Very high94Very high1 Ų127.8 Ų27.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-97.8112.2163.7176.667000108.5V55 V89 A92 I101 F140 N141 V142 I143V55-L99 HydrophobicContact CG2-CD1 4.01Å; V89-L99 HydrophobicContact CB-CD2 4.4Å; V89-L99 HydrophobicContact CG1-CD2 4.27Å; V89-L99 HydrophobicContact CG2-CD1 4.31Å; V89-L99 HydrophobicContact CG2-CD2 3.98Å; A92-L99 HydrophobicContact CB-CB 3.95Å; A92-L99 HydrophobicContact CB-CD1 4.44Å; L99-I101 HydrophobicContact CD2-CD1 3.97Å; L99-I101 HydrophobicContact CD2-CG1 4.18Å; L99-I101 HydrophobicContact CG-CD1 4.28Å; L99-I101 HydrophobicContact CG-CG1 3.93Å; L99-F140 HydrophobicContact CB-CE2 3.83Å; L99-F140 HydrophobicContact CB-CZ 4.25Å; L99-F140 HydrophobicContact CD2-CE2 4.5Å; L99-F140 HydrophobicContact CD2-CZ 4.29Å; L99-N141 PolarHBondContact N-O 3.36Å; L99-V142 HydrophobicContact CB-CG2 4.39Å; L99-V142 HydrophobicContact CD2-CG2 4.4Å; L99-V142 WeakPolarHBondContact O-CA 3.24Å; L99-I143 PolarHBondContact O-N 3.45Å
100Y98.5Very high93.2Very high0 Ų034.4 Ų34.40%017%0.167CC..EExtended strand (participates in β ladder)trans-97.9122.6173.2-178.8-97.3000110.3L29 T38 A41 M52 H53 Q54 V55 D102 I143 A145L29-Y100 HydrophobicContact CD1-CE2 4.48Å; T38-Y100 HydrophobicContact CG2-CE1 4.06Å; T38-Y100 PolarHBondContact OG1-OH 3.16Å; A41-Y100 HydrophobicContact CB-CD2 3.45Å; A41-Y100 VanDerWaalsContact CB-CD2 3.45Å; A41-Y100 HydrophobicContact CB-CE2 3.6Å; A41-Y100 HydrophobicContact CB-CG 4.36Å; M52-Y100 VanDerWaalsContact SD-CB 3.52Å; M52-Y100 HydrophobicContact SD-CD2 4.38Å; M52-Y100 HydrophobicContact SD-CG 4.01Å; H53-Y100 PolarHBondContact O-N 3.19Å; Q54-Y100 CarbonylContact C-O 3.6Å; Q54-Y100 WeakPolarHBondContact CA-O 3.34Å; Q54-Y100 HydrophobicContact CB-CD1 4.4Å; Q54-Y100 HydrophobicContact CG-CD1 3.89Å; V55-Y100 PolarHBondContact N-O 3.21Å; Y100-D102 HydrophobicContact CD1-CB 4.41Å; Y100-D102 HydrophobicContact CE1-CB 3.66Å; Y100-D102 PolarHBondContact OH-OD1 3.32Å; Y100-I143 CarbonylContact C-O 3.48Å; Y100-I143 VanDerWaalsContact CA-O 3.22Å; Y100-I143 WeakPolarHBondContact CA-O 3.34Å; Y100-I143 HydrophobicContact CD2-CB 4.03Å; Y100-I143 HydrophobicContact CD2-CG2 3.84Å; Y100-I143 HydrophobicContact CE2-CG2 4.11Å; Y100-A145 HydrophobicContact CE2-CB 4.17Å; Y100-A145 VanDerWaalsContact OH-CB 3.24Å; Y100-A145 WeakPolarHBondContact OH-CB 3.31Å
101I96.3Very high92.6Very high1 Ų135 Ų351%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-115.699.4-178.8-49.8177.6000108.6V55 C57 L99 I104 L115 V142 I143 A144 A145V55-I101 CarbonylContact O-C 3.55Å; V55-I101 WeakPolarHBondContact O-CA 3.48Å; C57-I101 WeakPolarHBondContact SG-CG2 3.33Å; L99-I101 HydrophobicContact CD2-CD1 3.97Å; L99-I101 HydrophobicContact CD2-CG1 4.18Å; L99-I101 HydrophobicContact CG-CD1 4.28Å; L99-I101 HydrophobicContact CG-CG1 3.93Å; I101-I104 HydrophobicContact CB-CD1 4.49Å; I101-I104 HydrophobicContact CD1-CD1 4.25Å; I101-I104 HydrophobicContact CG2-CB 3.88Å; I101-I104 HydrophobicContact CG2-CD1 4.1Å; I101-I104 HydrophobicContact CG2-CG1 3.88Å; I101-L115 HydrophobicContact CD1-CD1 3.84Å; I101-V142 HydrophobicContact CD1-CG1 4.02Å; I101-V142 HydrophobicContact CG1-CG1 4.47Å; I101-I143 PolarHBondContact N-O 3.2Å; I101-A144 HydrophobicContact CB-CB 4.34Å; I101-A144 CarbonylContact O-C 3.45Å; I101-A144 VanDerWaalsContact O-CA 3.26Å; I101-A144 WeakPolarHBondContact O-CA 3.08Å; I101-A145 PolarHBondContact O-N 3.11Å
102D94.1Very high92Very high22 Ų2231.5 Ų31.512%0.11816%0.156CC..EExtended strand (participates in β ladder)trans-78145.7176.4-140.8-16000111.3V55 N56 C57 Y100 I104V55-D102 PolarHBondContact O-N 3.2Å; N56-D102 VanDerWaalsContact OD1-CB 3.25Å; N56-D102 WeakPolarHBondContact OD1-CB 3.45Å; C57-D102 VanDerWaalsContact CB-O 3.31Å; C57-D102 WeakPolarHBondContact CB-O 3.32Å; C57-D102 PolarHBondContact N-O 2.63Å; Y100-D102 HydrophobicContact CD1-CB 4.41Å; Y100-D102 HydrophobicContact CE1-CB 3.66Å; Y100-D102 PolarHBondContact OH-OD1 3.32Å; D102-I104 PolarHBondContact O-N 3.29Å
103E90.8Very high91.5Very high57 Ų5734.4 Ų34.427%0.26618%0.175SC..THydrogen-bonded Turntrans47.842.1178.2-52.8-166.7144.700114.1C57 N105 M106 A145 N147C57-E103 VanDerWaalsContact CB-O 3.23Å; C57-E103 WeakPolarHBondContact CB-O 3.49Å; E103-N105 PolarHBondContact O-N 3.04Å; E103-M106 HydrophobicContact CB-CB 4.37Å; E103-M106 HydrophobicContact CB-CG 3.67Å; E103-M106 VanDerWaalsContact O-CB 3.29Å; E103-M106 WeakPolarHBondContact O-CB 3.25Å; E103-M106 WeakPolarHBondContact O-CG 3.2Å; E103-M106 PolarHBondContact O-N 2.81Å; E103-A145 WeakPolarHBondContact CA-O 3.37Å; E103-A145 PolarHBondContact N-O 3.31Å; E103-A145 VanDerWaalsContact N-O 3.08Å; E103-N147 PolarHBondContact OE1-ND2 2.69Å
104I90.6Very high91Very high0 Ų036 Ų360%018%0.184CC..G310 helixtrans-52.7-27.9-171.3-169.2168.8000113.9L28 I101 D102 M106 L112 A144 A145 I146 M156 F164L28-I104 HydrophobicContact CD1-CG2 4.39Å; I101-I104 HydrophobicContact CB-CD1 4.49Å; I101-I104 HydrophobicContact CD1-CD1 4.25Å; I101-I104 HydrophobicContact CG2-CB 3.88Å; I101-I104 HydrophobicContact CG2-CD1 4.1Å; I101-I104 HydrophobicContact CG2-CG1 3.88Å; D102-I104 PolarHBondContact O-N 3.29Å; I104-M106 VanDerWaalsContact C-N 3.29Å; I104-M106 PolarHBondContact O-N 2.7Å; I104-L112 HydrophobicContact CG1-CD1 4.47Å; I104-L112 HydrophobicContact CG1-CD2 4.01Å; I104-L112 WeakPolarHBondContact O-CD1 3.45Å; I104-A144 HydrophobicContact CB-CB 4.33Å; I104-A144 HydrophobicContact CD1-CB 3.96Å; I104-A144 HydrophobicContact CG2-CB 4.11Å; I104-A145 PolarHBondContact N-O 3.08Å; I104-I146 HydrophobicContact CG2-CD1 4.01Å; I104-I146 HydrophobicContact CG2-CG1 3.75Å; I104-M156 HydrophobicContact CG2-SD 4.14Å; I104-F164 HydrophobicContact CD1-CE2 4.37Å; I104-F164 HydrophobicContact CD1-CZ 4.09Å
105N86.6Confident90.7Very high11 Ų1132.3 Ų32.36%0.05917%0.168CC..G310 helixtrans-78-5.3178.764.6-50.3000114.7E103 I146 T153 M156E103-N105 PolarHBondContact O-N 3.04Å; N105-I146 HydrophobicContact CB-CD1 4.14Å; N105-I146 HydrophobicContact CB-CG1 4.28Å; N105-T153 WeakPolarHBondContact ND2-CB 3.26Å; N105-T153 WeakPolarHBondContact ND2-CG2 3.33Å; N105-M156 HydrophobicContact CB-CB 4.33Å
106M87.5Confident90.3Very high25 Ų2530 Ų3012%0.12316%0.159CC..G310 helixtrans-80.4-25.9171.5-65.5-77.481.500112.8C57 S58 V59 E103 I104 G152 T153C57-M106 HydrophobicContact CB-CB 4.48Å; S58-M106 CarbonylContact C-O 3.6Å; V59-M106 WeakPolarHBondContact CA-O 3.49Å; V59-M106 PolarHBondContact N-O 3.36Å; E103-M106 HydrophobicContact CB-CB 4.37Å; E103-M106 HydrophobicContact CB-CG 3.67Å; E103-M106 VanDerWaalsContact O-CB 3.29Å; E103-M106 WeakPolarHBondContact O-CB 3.25Å; E103-M106 WeakPolarHBondContact O-CG 3.2Å; E103-M106 PolarHBondContact O-N 2.81Å; I104-M106 VanDerWaalsContact C-N 3.29Å; I104-M106 PolarHBondContact O-N 2.7Å; M106-G152 WeakPolarHBondContact CE-O 3.43Å; M106-T153 HydrophobicContact CE-CG2 3.62Å
107A86.1Confident90.1Very high3 Ų330.3 Ų30.33%0.02516%0.162CC..SBendtrans-68.2145.2-179.600000111.3C57 L61 L112C57-A107 HydrophobicContact CB-CB 4.03Å; L61-A107 HydrophobicContact CD2-CB 3.98Å; A107-L112 HydrophobicContact CB-CD1 4.07Å; A107-L112 HydrophobicContact CB-CD2 3.6Å; A107-L112 HydrophobicContact CB-CG 3.71Å
108K83.6Confident89.9Confident85 Ų8528.6 Ų28.637%0.3715%0.154SC..  trans-62.2146.2178.4-72.2173.8175134.80111.5V59 E110 T111 L112V59-K108 WeakPolarHBondContact O-CD 3.32Å; V59-K108 WeakPolarHBondContact O-CE 3.18Å; V59-K108 PolarHBondContact O-NZ 3.09Å; K108-E110 WeakPolarHBondContact CB-OE2 3.47Å; K108-E110 PolarHBondContact O-N 3.14Å; K108-T111 PolarHBondContact O-N 3.25Å; K108-L112 PolarHBondContact O-N 2.84Å
109P79.7Confident89.7Confident77 Ų7728.9 Ų28.950%0.516%0.156SC..THydrogen-bonded Turntrans-57.9-19.8176.1-2534.8000114.4P113P109-P113 WeakPolarHBondContact O-CD 3.43Å; P109-P113 WeakPolarHBondContact O-CG 3.17Å
110E82.1Confident89.3Confident140 Ų14030.1 Ų30.165%0.65416%0.162SC*.THydrogen-bonded Turntrans-83.2-24.2176.6-43.687.3-138.300113.4K108 P113K108-E110 WeakPolarHBondContact CB-OE2 3.47Å; K108-E110 PolarHBondContact O-N 3.14Å; E110-P113 WeakPolarHBondContact O-CD 3.36Å
111T85.6Confident88.9Confident11 Ų1140 Ų407%0.06720%0.201CC..THydrogen-bonded Turntrans-82.9-45.3-178.6-55.60000111.5L61 L66 K108 V114L61-T111 HydrophobicContact CD2-CG2 4.41Å; L61-T111 HydrophobicContact CG-CG2 4.45Å; L61-T111 WeakPolarHBondContact O-CG2 3.49Å; L61-T111 PolarHBondContact O-OG1 3.29Å; L66-T111 HydrophobicContact CD1-CG2 3.75Å; K108-T111 PolarHBondContact O-N 3.25Å; T111-V114 WeakPolarHBondContact O-CG1 3.49Å; T111-V114 PolarHBondContact O-N 3.12Å
112L85Confident88.8Confident9 Ų946 Ų465%0.04722%0.224CC..G310 helixtrans-63-28.4-175.3-65.1178.2000116.8I104 A107 K108 V114 L115 L160I104-L112 HydrophobicContact CG1-CD1 4.47Å; I104-L112 HydrophobicContact CG1-CD2 4.01Å; I104-L112 WeakPolarHBondContact O-CD1 3.45Å; A107-L112 HydrophobicContact CB-CD1 4.07Å; A107-L112 HydrophobicContact CB-CD2 3.6Å; A107-L112 HydrophobicContact CB-CG 3.71Å; K108-L112 PolarHBondContact O-N 2.84Å; L112-V114 PolarHBondContact O-N 3.08Å; L112-L115 HydrophobicContact CD2-CD1 4.11Å; L112-L115 WeakPolarHBondContact O-CB 3.38Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-L160 HydrophobicContact CB-CD1 4.03Å; L112-L160 HydrophobicContact CD1-CD1 3.55Å; L112-L160 HydrophobicContact CG-CD1 4.39Å
113P86.6Confident88.9Confident61 Ų6146.1 Ų46.140%0.39622%0.222SC..G310 helixtrans-56.7-24179.5-29.436.9000114.1P109 E110 L115 N116P109-P113 WeakPolarHBondContact O-CD 3.43Å; P109-P113 WeakPolarHBondContact O-CG 3.17Å; E110-P113 WeakPolarHBondContact O-CD 3.36Å; P113-L115 PolarHBondContact O-N 2.82Å; P113-N116 WeakPolarHBondContact CA-ND2 3.44Å; P113-N116 WeakPolarHBondContact O-CB 3.35Å; P113-N116 VanDerWaalsContact O-CG 3.25Å; P113-N116 PolarHBondContact O-N 2.92Å; P113-N116 PolarHBondContact O-ND2 3.33Å
114V88.8Confident89.2Confident33 Ų3346.9 Ų46.920%0.223%0.226CC..G310 helixtrans-61.4-26.717583.60000112.6T63 L66 L67 T111 L112 I125T63-V114 HydrophobicContact CG2-CG2 4.09Å; L66-V114 HydrophobicContact CD1-CG1 3.98Å; L67-V114 HydrophobicContact CD1-CG2 3.62Å; L67-V114 HydrophobicContact CD2-CG2 4.34Å; L67-V114 HydrophobicContact CG-CG2 4.25Å; T111-V114 WeakPolarHBondContact O-CG1 3.49Å; T111-V114 PolarHBondContact O-N 3.12Å; L112-V114 PolarHBondContact O-N 3.08Å; V114-I125 HydrophobicContact CG2-CD1 3.87Å; V114-I125 WeakPolarHBondContact O-CD1 3.37Å
115L92Very high89.4Confident2 Ų247.3 Ų47.31%0.0123%0.228CC..G310 helixtrans-84.5-6.5176.7-57.1178.4000113.2L66 V89 I101 L112 P113 G117 V118 L119L66-L115 HydrophobicContact CD1-CD1 4.49Å; L66-L115 HydrophobicContact CD1-CG 4.48Å; V89-L115 HydrophobicContact CG1-CD2 4.03Å; V89-L115 HydrophobicContact CG2-CD2 3.82Å; I101-L115 HydrophobicContact CD1-CD1 3.84Å; L112-L115 HydrophobicContact CD2-CD1 4.11Å; L112-L115 WeakPolarHBondContact O-CB 3.38Å; L112-L115 PolarHBondContact O-N 2.93Å; P113-L115 PolarHBondContact O-N 2.82Å; L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 3.27Å; L115-V118 HydrophobicContact CD2-CG2 4.43Å; L115-V118 WeakPolarHBondContact O-CA 3.18Å; L115-V118 WeakPolarHBondContact O-CB 3.29Å; L115-V118 PolarHBondContact O-N 3.27Å; L115-L119 HydrophobicContact CB-CD1 4.13Å; L115-L119 HydrophobicContact CB-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 WeakPolarHBondContact O-CG 3.28Å; L115-L119 PolarHBondContact O-N 3.26Å
116N90.2Very high89.8Confident50 Ų5050.6 Ų50.627%0.26725%0.249SC..Hα-helixtrans-57.4-43-176.3-77.3-30.7000112.5P113 D120 R163P113-N116 WeakPolarHBondContact CA-ND2 3.44Å; P113-N116 WeakPolarHBondContact O-CB 3.35Å; P113-N116 VanDerWaalsContact O-CG 3.25Å; P113-N116 PolarHBondContact O-N 2.92Å; P113-N116 PolarHBondContact O-ND2 3.33Å; N116-D120 WeakPolarHBondContact O-CB 3.49Å; N116-D120 PolarHBondContact O-N 3.42Å; N116-D120 VanDerWaalsContact O-N 3.14Å; N116-R163 VanDerWaalsContact OD1-CZ 3.3Å; N116-R163 PolarHBondContact OD1-NH1 3.08Å; N116-R163 PolarHBondContact OD1-NH2 3.46Å
117G91.7Very high90.2Very high12 Ų1249.4 Ų49.412%0.12424%0.243CC..Hα-helixtrans-74.3-25.8176.900000113.6L115 R123 Q124L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 3.27Å; G117-R123 CarbonylContact O-C 3.55Å; G117-R123 WeakPolarHBondContact O-CA 3.49Å; G117-R123 PolarHBondContact O-N 2.94Å; G117-Q124 CarbonylContact C-O 3.51Å; G117-Q124 WeakPolarHBondContact CA-O 3.29Å; G117-Q124 PolarHBondContact O-N 3.38Å; G117-Q124 VanDerWaalsContact O-O 3.13Å
118V94.8Very high90.4Very high1 Ų153.2 Ų53.21%0.00627%0.268CS..Hα-helixtrans-71.5-37.2174.9-177.20000110.9V89 M93 L115 R123 I125 F140 V142V89-V118 HydrophobicContact CG1-CG1 4.37Å; V89-V118 HydrophobicContact CG1-CG2 4.04Å; M93-V118 HydrophobicContact CE-CG2 4.28Å; M93-V118 HydrophobicContact CG-CG1 4.44Å; M93-V118 HydrophobicContact SD-CB 4.46Å; M93-V118 HydrophobicContact SD-CG1 4.01Å; M93-V118 HydrophobicContact SD-CG2 3.74Å; L115-V118 HydrophobicContact CD2-CG2 4.43Å; L115-V118 WeakPolarHBondContact O-CA 3.18Å; L115-V118 WeakPolarHBondContact O-CB 3.29Å; L115-V118 PolarHBondContact O-N 3.27Å; V118-R123 WeakPolarHBondContact O-CD 3.14Å; V118-I125 HydrophobicContact CG2-CB 4.01Å; V118-I125 HydrophobicContact CG2-CD1 4.2Å; V118-I125 HydrophobicContact CG2-CG2 4.49Å; V118-F140 HydrophobicContact CG1-CE1 3.63Å; V118-F140 HydrophobicContact CG1-CZ 3.5Å; V118-F140 VanDerWaalsContact CG1-CZ 3.5Å; V118-V142 HydrophobicContact CG1-CG2 4.42Å
119L94.3Very high90.9Very high6 Ų652.2 Ų52.23%0.03126%0.262CS..Hα-helixtrans-89.6-15.4-176.2-66.4173.2000114N26 L115 V142 L160 R163 F164N26-L119 HydrophobicContact CB-CD2 4.43Å; N26-L119 PolarHBondContact ND2-O 3.22Å; L115-L119 HydrophobicContact CB-CD1 4.13Å; L115-L119 HydrophobicContact CB-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 WeakPolarHBondContact O-CG 3.28Å; L115-L119 PolarHBondContact O-N 3.26Å; L119-V142 HydrophobicContact CD2-CB 4.03Å; L119-V142 HydrophobicContact CD2-CG1 3.73Å; L119-V142 HydrophobicContact CD2-CG2 4.15Å; L119-L160 HydrophobicContact CD1-CD2 3.76Å; L119-R163 HydrophobicContact CB-CB 4.22Å; L119-F164 HydrophobicContact CD1-CE2 3.99Å; L119-F164 HydrophobicContact CD1-CZ 3.81Å; L119-F164 HydrophobicContact CD2-CE1 3.85Å; L119-F164 HydrophobicContact CD2-CE2 4.36Å; L119-F164 HydrophobicContact CD2-CZ 3.53Å; L119-F164 HydrophobicContact CG-CZ 4.33Å
120D91.6Very high91.5Very high26 Ų2651.4 Ų51.414%0.13926%0.256CS..SBendtrans-88.4-178.9177.576.130.6000113.1N116 R122 R123N116-D120 WeakPolarHBondContact O-CB 3.49Å; N116-D120 PolarHBondContact O-N 3.42Å; N116-D120 VanDerWaalsContact O-N 3.14Å; D120-R122 PolarHBondContact O-N 2.85Å; D120-R122 VanDerWaalsContact O-N 3.13Å; D120-R122 WeakPolarHBondContact OD1-CA 3.45Å; D120-R122 WeakPolarHBondContact OD1-CB 3.38Å; D120-R122 WeakPolarHBondContact OD1-CG 3.23Å; D120-R122 PolarHBondContact OD1-N 3.05Å; D120-R122 IonicContact OD1-NE 3.01Å; D120-R122 PolarHBondContact OD1-NE 3.48Å; D120-R122 IonicContact OD2-CZ 2.68Å; D120-R122 IonicContact OD2-NE 3.24Å; D120-R122 PolarHBondContact OD2-NE 3.06Å; D120-R122 IonicContact OD2-NH2 3.47Å; D120-R122 PolarHBondContact OD2-NH2 3.37Å; D120-R123 WeakPolarHBondContact O-CD 3.22Å; D120-R123 PolarHBondContact O-N 3.14Å
121Y90.1Very high92Very high208 Ų20847.2 Ų47.282%0.81625%0.25SC*.THydrogen-bonded Turntrans-62.2-19-176.773.7-87.6000114.3
122R93.5Very high92.4Very high126 Ų12650.5 Ų50.548%0.47527%0.265SS..THydrogen-bonded Turntrans-77.7-27.8-179.4-57.7173.8-72.2-178.7-3.6111.4D120 Q124D120-R122 PolarHBondContact O-N 2.85Å; D120-R122 VanDerWaalsContact O-N 3.13Å; D120-R122 WeakPolarHBondContact OD1-CA 3.45Å; D120-R122 WeakPolarHBondContact OD1-CB 3.38Å; D120-R122 WeakPolarHBondContact OD1-CG 3.23Å; D120-R122 PolarHBondContact OD1-N 3.05Å; D120-R122 IonicContact OD1-NE 3.01Å; D120-R122 PolarHBondContact OD1-NE 3.48Å; D120-R122 IonicContact OD2-CZ 2.68Å; D120-R122 IonicContact OD2-NE 3.24Å; D120-R122 PolarHBondContact OD2-NE 3.06Å; D120-R122 IonicContact OD2-NH2 3.47Å; D120-R122 PolarHBondContact OD2-NH2 3.37Å; R122-Q124 HydrophobicContact CB-CB 4.17Å; R122-Q124 PolarHBondContact O-N 2.64Å
123R96Very high93Very high25 Ų2554 Ų549%0.09429%0.286CS..  trans45.547.5-174.9-58.8-67.9-160.6145.63.8111N24 N26 M93 G117 V118 D120 A136N24-R123 PolarHBondContact O-NH2 3.02Å; N24-R123 PolarHBondContact OD1-NH2 3.35Å; N26-R123 PolarHBondContact OD1-NH1 3.23Å; N26-R123 PolarHBondContact OD1-NH2 3.48Å; N26-R123 VanDerWaalsContact OD1-NH2 3.14Å; M93-R123 WeakPolarHBondContact CE-O 3.29Å; G117-R123 CarbonylContact O-C 3.55Å; G117-R123 WeakPolarHBondContact O-CA 3.49Å; G117-R123 PolarHBondContact O-N 2.94Å; V118-R123 WeakPolarHBondContact O-CD 3.14Å; D120-R123 WeakPolarHBondContact O-CD 3.22Å; D120-R123 PolarHBondContact O-N 3.14Å; R123-A136 HydrophobicContact CB-CB 3.98Å; R123-A136 WeakPolarHBondContact O-CB 3.49Å; R123-A136 PolarHBondContact O-N 3.5Å
124Q96.7Very high93.5Very high73 Ų7351.4 Ų51.434%0.34127%0.269SS..EExtended strand (participates in β ladder)trans-136.5143.3-170.9-179.2-173.7-46.300110.4G117 R122 V133 I134G117-Q124 CarbonylContact C-O 3.51Å; G117-Q124 WeakPolarHBondContact CA-O 3.29Å; G117-Q124 PolarHBondContact O-N 3.38Å; G117-Q124 VanDerWaalsContact O-O 3.13Å; R122-Q124 HydrophobicContact CB-CB 4.17Å; R122-Q124 PolarHBondContact O-N 2.64Å; Q124-V133 VanDerWaalsContact CD-CG1 3.41Å; Q124-V133 HydrophobicContact CG-CG1 3.74Å; Q124-I134 CarbonylContact C-O 3.59Å; Q124-I134 VanDerWaalsContact CA-O 3.24Å; Q124-I134 WeakPolarHBondContact CA-O 3.38Å; Q124-I134 WeakPolarHBondContact CG-O 3.01Å
125I96.2Very high93.9Very high10 Ų1056.9 Ų56.95%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-132.6142.8173.3-171.6172000109.9L67 I90 M93 V114 V118 I134L67-I125 HydrophobicContact CD1-CD1 3.88Å; L67-I125 HydrophobicContact CD2-CD1 3.44Å; L67-I125 VanDerWaalsContact CD2-CD1 3.44Å; L67-I125 HydrophobicContact CG-CD1 4.31Å; I90-I125 HydrophobicContact CD1-CG2 3.68Å; M93-I125 HydrophobicContact CE-CB 4.46Å; M93-I125 HydrophobicContact CE-CG2 3.85Å; M93-I125 HydrophobicContact SD-CG2 3.75Å; V114-I125 HydrophobicContact CG2-CD1 3.87Å; V114-I125 WeakPolarHBondContact O-CD1 3.37Å; V118-I125 HydrophobicContact CG2-CB 4.01Å; V118-I125 HydrophobicContact CG2-CD1 4.2Å; V118-I125 HydrophobicContact CG2-CG2 4.49Å; I125-I134 HydrophobicContact CG2-CB 3.96Å; I125-I134 PolarHBondContact N-O 2.72Å; I125-I134 PolarHBondContact O-N 3.03Å
126T94.9Very high94.2Very high80 Ų8057.5 Ų57.549%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-95.3112.5164.1-58.50000107.1P128 E132 V133T126-P128 WeakPolarHBondContact O-CD 3.43Å; T126-E132 CarbonylContact C-O 3.6Å; T126-E132 WeakPolarHBondContact CA-O 3.26Å; T126-V133 HydrophobicContact CG2-CG2 4.34Å
127N94.1Very high94.6Very high0 Ų057.9 Ų57.90%030%0.299CS..  trans-65.5115.1179.7-179.6-25.1000108.9F84 Y129 T130 G131 E132 I134F84-N127 WeakPolarHBondContact CE1-ND2 3.39Å; F84-N127 WeakPolarHBondContact CZ-ND2 3.44Å; N127-Y129 PolarHBondContact O-N 3.34Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.36Å; N127-Y129 WeakPolarHBondContact OD1-CD2 3.42Å; N127-Y129 PolarHBondContact OD1-N 3.29Å; N127-T130 WeakPolarHBondContact CB-OG1 3.43Å; N127-T130 VanDerWaalsContact CG-OG1 3.24Å; N127-T130 PolarHBondContact ND2-OG1 2.91Å; N127-T130 PolarHBondContact O-N 3.49Å; N127-T130 PolarHBondContact OD1-N 2.95Å; N127-G131 VanDerWaalsContact O-CA 3.31Å; N127-G131 WeakPolarHBondContact O-CA 3.39Å; N127-G131 PolarHBondContact O-N 3.47Å; N127-E132 PolarHBondContact N-O 2.81Å; N127-I134 HydrophobicContact CB-CD1 3.98Å
128P91.6Very high94.7Very high83 Ų8363.4 Ų63.454%0.53933%0.333SS..THydrogen-bonded Turntrans-67.1-19.6-17528.7-34.8000112.8T63 L67 T126T63-P128 HydrophobicContact CG2-CG 4.45Å; L67-P128 VanDerWaalsContact CD1-CD 3.42Å; L67-P128 HydrophobicContact CD1-CG 3.94Å; T126-P128 WeakPolarHBondContact O-CD 3.43Å
129Y92.8Very high94.7Very high63 Ų6365 Ų6525%0.24735%0.35CS..THydrogen-bonded Turntrans-88.2-33.4-178.1-52.4-64.6000112.7T63 E64 L67 K70 F84 N127T63-Y129 WeakPolarHBondContact CB-OH 3.32Å; T63-Y129 HydrophobicContact CG2-CE2 4.06Å; T63-Y129 WeakPolarHBondContact CG2-OH 3.44Å; E64-Y129 HydrophobicContact CG-CE1 4.21Å; E64-Y129 HydrophobicContact CG-CE2 4.13Å; E64-Y129 WeakPolarHBondContact CG-OH 3.42Å; E64-Y129 PolarHBondContact N-OH 3.02Å; L67-Y129 HydrophobicContact CB-CE2 4.24Å; L67-Y129 HydrophobicContact CD1-CE2 4.42Å; K70-Y129 WeakPolarHBondContact CE-O 3.38Å; K70-Y129 PolarHBondContact NZ-O 3.38Å; F84-Y129 AromaticContact CE2-CD2 3.71Å; F84-Y129 HydrophobicContact CE2-CD2 3.71Å; F84-Y129 AromaticContact CE2-CG 3.96Å; F84-Y129 HydrophobicContact CE2-CG 3.96Å; F84-Y129 AromaticContact CZ-CD2 3.99Å; F84-Y129 HydrophobicContact CZ-CD2 3.99Å; N127-Y129 PolarHBondContact O-N 3.34Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.36Å; N127-Y129 WeakPolarHBondContact OD1-CD2 3.42Å; N127-Y129 PolarHBondContact OD1-N 3.29Å
130T92.4Very high94.9Very high60 Ų6064.9 Ų64.937%0.36835%0.349SS..THydrogen-bonded Turntrans-108.3-18.5-176.865.40000113.4F84 N127 E132F84-T130 HydrophobicContact CB-CG2 3.78Å; F84-T130 HydrophobicContact CD1-CG2 3.85Å; F84-T130 HydrophobicContact CD2-CG2 3.73Å; F84-T130 HydrophobicContact CE1-CG2 4.38Å; F84-T130 HydrophobicContact CE2-CG2 4.28Å; F84-T130 HydrophobicContact CG-CG2 3.49Å; F84-T130 VanDerWaalsContact CG-CG2 3.49Å; N127-T130 WeakPolarHBondContact CB-OG1 3.43Å; N127-T130 VanDerWaalsContact CG-OG1 3.24Å; N127-T130 PolarHBondContact ND2-OG1 2.91Å; N127-T130 PolarHBondContact O-N 3.49Å; N127-T130 PolarHBondContact OD1-N 2.95Å; T130-E132 PolarHBondContact O-N 3.11Å; T130-E132 VanDerWaalsContact OG1-CB 3.23Å; T130-E132 WeakPolarHBondContact OG1-CB 3.35Å; T130-E132 PolarHBondContact OG1-N 2.91Å
131G93.3Very high95.2Very high52 Ų5263.9 Ų63.954%0.53634%0.344SS..  trans73.6-2.1-169.800000113.8N127N127-G131 VanDerWaalsContact O-CA 3.31Å; N127-G131 WeakPolarHBondContact O-CA 3.39Å; N127-G131 PolarHBondContact O-N 3.47Å
132E94.9Very high95.5Very high81 Ų8154 Ų5438%0.37931%0.305SS..  trans-65.4133.6-179.7-170.7-170.9172.800110.4K94 T126 N127 T130 I134K94-E132 IonicContact NZ-OE1 3.69Å; K94-E132 IonicContact NZ-OE2 3.55Å; T126-E132 CarbonylContact C-O 3.6Å; T126-E132 WeakPolarHBondContact CA-O 3.26Å; N127-E132 PolarHBondContact N-O 2.81Å; T130-E132 PolarHBondContact O-N 3.11Å; T130-E132 VanDerWaalsContact OG1-CB 3.23Å; T130-E132 WeakPolarHBondContact OG1-CB 3.35Å; T130-E132 PolarHBondContact OG1-N 2.91Å; E132-I134 HydrophobicContact CB-CD1 4.48Å; E132-I134 HydrophobicContact CB-CG1 4.29Å; E132-I134 HydrophobicContact CG-CD1 4.39Å; E132-I134 HydrophobicContact CG-CG1 3.8Å
133V96.4Very high95.8Very high83 Ų8348.2 Ų48.250%0.50328%0.283SS..EExtended strand (participates in β ladder)trans-92.7111.9170.9176.60000108.6Q124 T126Q124-V133 VanDerWaalsContact CD-CG1 3.41Å; Q124-V133 HydrophobicContact CG-CG1 3.74Å; T126-V133 HydrophobicContact CG2-CG2 4.34Å
134I97.3Very high95.8Very high6 Ų647 Ų473%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-108.1117.4-174.4-58.5158.8000107.6I90 M93 K94 Q124 I125 N127 E132I90-I134 HydrophobicContact CD1-CD1 3.58Å; I90-I134 HydrophobicContact CG1-CD1 4.18Å; I90-I134 HydrophobicContact CG2-CD1 3.8Å; M93-I134 HydrophobicContact CB-CG2 4.35Å; M93-I134 HydrophobicContact CE-CG2 4.41Å; K94-I134 HydrophobicContact CG-CG2 4.13Å; Q124-I134 CarbonylContact C-O 3.59Å; Q124-I134 VanDerWaalsContact CA-O 3.24Å; Q124-I134 WeakPolarHBondContact CA-O 3.38Å; Q124-I134 WeakPolarHBondContact CG-O 3.01Å; I125-I134 HydrophobicContact CG2-CB 3.96Å; I125-I134 PolarHBondContact N-O 2.72Å; I125-I134 PolarHBondContact O-N 3.03Å; N127-I134 HydrophobicContact CB-CD1 3.98Å; E132-I134 HydrophobicContact CB-CD1 4.48Å; E132-I134 HydrophobicContact CB-CG1 4.29Å; E132-I134 HydrophobicContact CG-CD1 4.39Å; E132-I134 HydrophobicContact CG-CG1 3.8Å
135K97.9Very high95.7Very high148 Ų14843.5 Ų43.564%0.64326%0.263SS*.EExtended strand (participates in β ladder)trans-103.4130.1172.2-173.2175.7-179.1-179.60108.5V137K135-V137 PolarHBondContact O-N 3.07Å
136A98Very high95.5Very high15 Ų1543.8 Ų43.812%0.12426%0.264CS..PPolyproline II helixtrans-62.3136.5179.400000110.7M93 R123 F140M93-A136 HydrophobicContact CB-CB 4.05Å; M93-A136 HydrophobicContact CE-CB 3.96Å; M93-A136 HydrophobicContact CG-CB 4.07Å; M93-A136 WeakPolarHBondContact O-CA 3.4Å; R123-A136 HydrophobicContact CB-CB 3.98Å; R123-A136 WeakPolarHBondContact O-CB 3.49Å; R123-A136 PolarHBondContact O-N 3.5Å; A136-F140 HydrophobicContact CB-CB 3.74Å; A136-F140 HydrophobicContact CB-CD1 3.43Å; A136-F140 VanDerWaalsContact CB-CD1 3.43Å; A136-F140 HydrophobicContact CB-CE1 4.2Å; A136-F140 HydrophobicContact CB-CG 3.69Å
137V97.5Very high95.1Very high57 Ų5740.7 Ų40.735%0.34525%0.245SC..PPolyproline II helixtrans-74.4156.7174.1-550000110.1M93 K135 G139 F140M93-V137 PolarHBondContact O-N 3.32Å; K135-V137 PolarHBondContact O-N 3.07Å; V137-G139 PolarHBondContact O-N 3.12Å; V137-F140 WeakPolarHBondContact O-CB 3.15Å; V137-F140 PolarHBondContact O-N 3.42Å
138P95.6Very high94.3Very high128 Ų12844.2 Ų44.283%0.83126%0.261SS*.THydrogen-bonded Turntrans-53.1140.1174.4-25.135.1000111.7
139G93.8Very high93Very high35 Ų3543.2 Ų43.236%0.36127%0.266SS..THydrogen-bonded Turntrans103.2-27.1-174.200000113.6G96 V137 N141G96-G139 CarbonylContact O-C 3.55Å; V137-G139 PolarHBondContact O-N 3.12Å; G139-N141 PolarHBondContact O-N 3.37Å; G139-N141 PolarHBondContact O-ND2 2.79Å
140F98.2Very high91.6Very high3 Ų345.6 Ų45.61%0.01328%0.275CS..  trans-58.6123.5177.6174-107.9000111.8N24 A92 M93 G96 H97 L99 V118 A136 V137 V142N24-F140 PolarHBondContact OD1-O 3.44Å; N24-F140 VanDerWaalsContact OD1-O 3.1Å; A92-F140 HydrophobicContact CB-CD2 4.1Å; A92-F140 HydrophobicContact CB-CE2 3.77Å; A92-F140 WeakPolarHBondContact O-CD2 3.17Å; M93-F140 HydrophobicContact CB-CE2 4.49Å; M93-F140 HydrophobicContact CG-CD1 4.35Å; M93-F140 HydrophobicContact CG-CD2 4.09Å; M93-F140 HydrophobicContact CG-CE1 3.98Å; M93-F140 HydrophobicContact CG-CE2 3.69Å; M93-F140 HydrophobicContact CG-CG 4.4Å; M93-F140 HydrophobicContact CG-CZ 3.63Å; G96-F140 PolarHBondContact O-N 2.82Å; H97-F140 WeakPolarHBondContact O-CA 3.43Å; H97-F140 VanDerWaalsContact O-CD2 3.25Å; H97-F140 WeakPolarHBondContact O-CD2 3.45Å; L99-F140 HydrophobicContact CB-CE2 3.83Å; L99-F140 HydrophobicContact CB-CZ 4.25Å; L99-F140 HydrophobicContact CD2-CE2 4.5Å; L99-F140 HydrophobicContact CD2-CZ 4.29Å; V118-F140 HydrophobicContact CG1-CE1 3.63Å; V118-F140 HydrophobicContact CG1-CZ 3.5Å; V118-F140 VanDerWaalsContact CG1-CZ 3.5Å; A136-F140 HydrophobicContact CB-CB 3.74Å; A136-F140 HydrophobicContact CB-CD1 3.43Å; A136-F140 VanDerWaalsContact CB-CD1 3.43Å; A136-F140 HydrophobicContact CB-CE1 4.2Å; A136-F140 HydrophobicContact CB-CG 3.69Å; V137-F140 WeakPolarHBondContact O-CB 3.15Å; V137-F140 PolarHBondContact O-N 3.42Å; F140-V142 HydrophobicContact CE1-CG2 3.65Å; F140-V142 HydrophobicContact CE2-CG2 4.29Å; F140-V142 HydrophobicContact CZ-CG2 3.44Å; F140-V142 VanDerWaalsContact CZ-CG2 3.44Å
141N97.6Very high89.8Confident6 Ų649.3 Ų49.33%0.03230%0.298CS..EExtended strand (participates in β ladder)trans-133.8151.9179.9-86.3-84.4000110.5F21 N24 H97 I98 L99 G139F21-N141 HydrophobicContact CD2-CB 3.68Å; F21-N141 VanDerWaalsContact CD2-CG 3.48Å; F21-N141 HydrophobicContact CE2-CB 3.62Å; F21-N141 VanDerWaalsContact CE2-ND2 3.31Å; F21-N141 WeakPolarHBondContact CE2-ND2 3.26Å; F21-N141 PolarHBondContact O-OD1 2.95Å; N24-N141 PolarHBondContact OD1-OD1 2.97Å; H97-N141 PolarHBondContact O-N 3.01Å; I98-N141 CarbonylContact C-O 3.6Å; I98-N141 WeakPolarHBondContact CA-O 3.13Å; I98-N141 HydrophobicContact CG1-CB 4.47Å; L99-N141 PolarHBondContact N-O 3.36Å; G139-N141 PolarHBondContact O-N 3.37Å; G139-N141 PolarHBondContact O-ND2 2.79Å
142V98.2Very high88Confident1 Ų149.9 Ų49.91%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-120.6127.3178.9-1740000109.8N26 I27 L99 I101 V118 L119 F140 F164N26-V142 WeakPolarHBondContact CA-O 3.45Å; N26-V142 HydrophobicContact CB-CB 4.41Å; I27-V142 PolarHBondContact N-O 3.07Å; L99-V142 HydrophobicContact CB-CG2 4.39Å; L99-V142 HydrophobicContact CD2-CG2 4.4Å; L99-V142 WeakPolarHBondContact O-CA 3.24Å; I101-V142 HydrophobicContact CD1-CG1 4.02Å; I101-V142 HydrophobicContact CG1-CG1 4.47Å; V118-V142 HydrophobicContact CG1-CG2 4.42Å; L119-V142 HydrophobicContact CD2-CB 4.03Å; L119-V142 HydrophobicContact CD2-CG1 3.73Å; L119-V142 HydrophobicContact CD2-CG2 4.15Å; F140-V142 HydrophobicContact CE1-CG2 3.65Å; F140-V142 HydrophobicContact CE2-CG2 4.29Å; F140-V142 HydrophobicContact CZ-CG2 3.44Å; F140-V142 VanDerWaalsContact CZ-CG2 3.44Å; V142-F164 HydrophobicContact CG1-CE1 4.21Å
143I98.3Very high86.1Confident3 Ų348.6 Ų48.62%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-120.1121.7172.4-54.3176.7000106.5I27 L29 A41 L44 I98 L99 Y100 I101I27-I143 HydrophobicContact CB-CG1 4.36Å; I27-I143 HydrophobicContact CB-CG2 4.37Å; I27-I143 HydrophobicContact CD1-CG1 4.34Å; I27-I143 CarbonylContact O-C 3.54Å; I27-I143 WeakPolarHBondContact O-CA 3.49Å; L29-I143 HydrophobicContact CD1-CG2 3.81Å; L29-I143 HydrophobicContact CG-CG2 3.96Å; A41-I143 HydrophobicContact CB-CD1 4.19Å; A41-I143 HydrophobicContact CB-CG2 4.3Å; L44-I143 HydrophobicContact CD2-CD1 3.84Å; I98-I143 HydrophobicContact CG2-CD1 3.81Å; I98-I143 HydrophobicContact CG2-CG1 4.06Å; L99-I143 PolarHBondContact O-N 3.45Å; Y100-I143 CarbonylContact C-O 3.48Å; Y100-I143 VanDerWaalsContact CA-O 3.22Å; Y100-I143 WeakPolarHBondContact CA-O 3.34Å; Y100-I143 HydrophobicContact CD2-CB 4.03Å; Y100-I143 HydrophobicContact CD2-CG2 3.84Å; Y100-I143 HydrophobicContact CE2-CG2 4.11Å; I101-I143 PolarHBondContact N-O 3.2Å
144A96.4Very high84.5Confident0 Ų048.5 Ų48.50%030%0.298CS..EExtended strand (participates in β ladder)trans-111.7153.3173.900000109.9I27 L28 L29 I101 I104 F164I27-A144 PolarHBondContact O-N 3.16Å; L28-A144 CarbonylContact C-O 3.37Å; L28-A144 WeakPolarHBondContact CA-O 3.48Å; L28-A144 HydrophobicContact CD1-CB 3.88Å; L29-A144 PolarHBondContact N-O 3.4Å; I101-A144 HydrophobicContact CB-CB 4.34Å; I101-A144 CarbonylContact O-C 3.45Å; I101-A144 VanDerWaalsContact O-CA 3.26Å; I101-A144 WeakPolarHBondContact O-CA 3.08Å; I104-A144 HydrophobicContact CB-CB 4.33Å; I104-A144 HydrophobicContact CD1-CB 3.96Å; I104-A144 HydrophobicContact CG2-CB 4.11Å; A144-F164 HydrophobicContact CB-CD1 4.37Å; A144-F164 HydrophobicContact CB-CE1 3.65Å; A144-F164 HydrophobicContact CB-CZ 3.78Å
145A95Very high83Confident0 Ų054 Ų540%033%0.333CS..EExtended strand (participates in β ladder)trans-129.1147.4176.800000112L29 K37 Y100 I101 E103 I104L29-A145 HydrophobicContact CB-CB 4.31Å; L29-A145 CarbonylContact O-C 3.55Å; L29-A145 VanDerWaalsContact O-CA 3.29Å; L29-A145 WeakPolarHBondContact O-CA 3.4Å; K37-A145 HydrophobicContact CB-CB 4.38Å; K37-A145 HydrophobicContact CD-CB 4.21Å; Y100-A145 HydrophobicContact CE2-CB 4.17Å; Y100-A145 VanDerWaalsContact OH-CB 3.24Å; Y100-A145 WeakPolarHBondContact OH-CB 3.31Å; I101-A145 PolarHBondContact O-N 3.11Å; E103-A145 WeakPolarHBondContact CA-O 3.37Å; E103-A145 PolarHBondContact N-O 3.31Å; E103-A145 VanDerWaalsContact N-O 3.08Å; I104-A145 PolarHBondContact N-O 3.08Å
146I91.4Very high81.6Confident15 Ų1548.2 Ų48.28%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-134132.4173.8-65.1175.8000108.6L28 L29 G31 K37 I104 N105 M156L28-I146 HydrophobicContact CD1-CD1 3.86Å; L28-I146 HydrophobicContact CD1-CG1 3.96Å; L28-I146 HydrophobicContact CD2-CD1 4.23Å; L29-I146 PolarHBondContact O-N 2.9Å; G31-I146 PolarHBondContact N-O 2.98Å; K37-I146 WeakPolarHBondContact CE-O 3.25Å; I104-I146 HydrophobicContact CG2-CD1 4.01Å; I104-I146 HydrophobicContact CG2-CG1 3.75Å; N105-I146 HydrophobicContact CB-CD1 4.14Å; N105-I146 HydrophobicContact CB-CG1 4.28Å; I146-M156 HydrophobicContact CD1-CB 4.31Å; I146-M156 HydrophobicContact CD1-CE 4.08Å; I146-M156 HydrophobicContact CD1-SD 3.8Å
147N86.5Confident80.3Confident16 Ų1651 Ų519%0.08632%0.322CS..EExtended strand (participates in β ladder)trans-80.8120.3166.6-67.5-35.2000109.2G31 K37 E103G31-N147 WeakPolarHBondContact O-CA 3.11Å; K37-N147 WeakPolarHBondContact CE-OD1 3.01Å; K37-N147 PolarHBondContact NZ-OD1 3.38Å; E103-N147 PolarHBondContact OE1-ND2 2.69Å
148E77.1Confident79.1Confident73 Ų7353.6 Ų53.634%0.34133%0.33SS..SBendtrans-74154.7170.7-65.1-174.8135.800109.2K30 G31 Y150 H168 E214K30-E148 HydrophobicContact CB-CG 4.39Å; G31-E148 PolarHBondContact O-N 2.67Å; E148-Y150 PolarHBondContact O-N 2.84Å; E148-H168 IonicContact OE1-CE1 3.88Å; E148-H168 PolarHBondContact OE1-CE1 2.73Å; E148-H168 IonicContact OE1-ND1 3.04Å; E148-H168 IonicContact OE2-ND1 3.9Å; E148-E214 VanDerWaalsContact O-OE2 3.14Å
149G65.5Low78Confident63 Ų6350.2 Ų50.265%0.64931%0.313SS*.SBendtrans73-7.8176.400000116.9V151G149-V151 PolarHBondContact O-N 3.24Å
150Y61.9Low77.3Confident112 Ų11248.6 Ų48.644%0.43930%0.296SS..  trans-74.2121.8-177.2-151.8-103.4000112.1E148 T153E148-Y150 PolarHBondContact O-N 2.84Å; Y150-T153 WeakPolarHBondContact O-CB 3.43Å; Y150-T153 VanDerWaalsContact O-CG2 3.25Å; Y150-T153 WeakPolarHBondContact O-CG2 3.49Å; Y150-T153 PolarHBondContact O-N 3.4Å; Y150-T153 PolarHBondContact O-OG1 3.32Å
151V54.3Low76.6Confident139 Ų13951.8 Ų51.884%0.84231%0.31SS*.THydrogen-bonded Turntrans-64.4134.9178-176.90000109.3G149G149-V151 PolarHBondContact O-N 3.24Å
152G55.4Low76.1Confident64 Ų6457.5 Ų57.566%0.6634%0.341SS*.THydrogen-bonded Turntrans92.22.6-17800000114.7M106 L154M106-G152 WeakPolarHBondContact CE-O 3.43Å; G152-L154 PolarHBondContact O-N 2.74Å
153T56.4Low75.8Confident53 Ų5360.9 Ų60.933%0.32535%0.353SS..PPolyproline II helixtrans-69.6122.4172.551.30000112.5N105 M106 Y150N105-T153 WeakPolarHBondContact ND2-CB 3.26Å; N105-T153 WeakPolarHBondContact ND2-CG2 3.33Å; M106-T153 HydrophobicContact CE-CG2 3.62Å; Y150-T153 WeakPolarHBondContact O-CB 3.43Å; Y150-T153 VanDerWaalsContact O-CG2 3.25Å; Y150-T153 WeakPolarHBondContact O-CG2 3.49Å; Y150-T153 PolarHBondContact O-N 3.4Å; Y150-T153 PolarHBondContact O-OG1 3.32Å
154L62.6Low75.6Confident82 Ų8261.5 Ų61.543%0.42936%0.356SS..PPolyproline II helixtrans-69.6133.3167.1-68170.5000107.6G152 M156G152-L154 PolarHBondContact O-N 2.74Å; L154-M156 PolarHBondContact O-N 3.45Å; L154-M156 VanDerWaalsContact O-N 3.08Å
155P64.7Low75.6Confident120 Ų12064.5 Ų64.578%0.77937%0.374SS*.PPolyproline II helixtrans-57.6121.9171.122.3-30.3000108.1N157P155-N157 PolarHBondContact O-N 2.81Å
156M70.3Confident75.6Confident27 Ų2767 Ų6713%0.13339%0.389CS..PPolyproline II helixtrans-59132.8178.3-171.3176.661.700108.6L28 I104 N105 I146 L154 E158 L160 K161L28-M156 HydrophobicContact CD2-CE 3.6Å; I104-M156 HydrophobicContact CG2-SD 4.14Å; N105-M156 HydrophobicContact CB-CB 4.33Å; I146-M156 HydrophobicContact CD1-CB 4.31Å; I146-M156 HydrophobicContact CD1-CE 4.08Å; I146-M156 HydrophobicContact CD1-SD 3.8Å; L154-M156 PolarHBondContact O-N 3.45Å; L154-M156 VanDerWaalsContact O-N 3.08Å; M156-E158 PolarHBondContact O-N 3.17Å; M156-L160 HydrophobicContact CG-CB 4.04Å; M156-L160 HydrophobicContact CG-CD1 4.39Å; M156-L160 HydrophobicContact SD-CB 4.08Å; M156-K161 HydrophobicContact CE-CB 3.46Å; M156-K161 VanDerWaalsContact CE-CB 3.46Å; M156-K161 HydrophobicContact CE-CD 4.4Å; M156-K161 HydrophobicContact CE-CG 3.65Å
157N69.3Low75.8Confident75 Ų7566.9 Ų66.940%0.40139%0.388SS..PPolyproline II helixtrans-60.5141.5179.374.324000110.1P155 A159 L160 K161P155-N157 PolarHBondContact O-N 2.81Å; N157-A159 PolarHBondContact O-N 2.89Å; N157-A159 VanDerWaalsContact O-N 3.11Å; N157-L160 PolarHBondContact O-N 3.19Å; N157-L160 VanDerWaalsContact O-N 3.16Å; N157-L160 WeakPolarHBondContact OD1-CB 3.38Å; N157-L160 WeakPolarHBondContact OD1-CD1 3.4Å; N157-L160 WeakPolarHBondContact OD1-CG 3.22Å; N157-L160 PolarHBondContact OD1-N 3Å; N157-K161 PolarHBondContact O-N 3.08Å
158E72.6Confident76.2Confident111 Ų11171.4 Ų71.452%0.51941%0.409SS..Hα-helixtrans-59-28.1-177.9-74.1-66134.300111.7M156 K161 N162M156-E158 PolarHBondContact O-N 3.17Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 3.05Å; E158-K161 IonicContact OE1-NZ 3.81Å; E158-N162 WeakPolarHBondContact O-CB 3.33Å; E158-N162 PolarHBondContact O-N 3.36Å; E158-N162 PolarHBondContact O-ND2 3.27Å; E158-N162 VanDerWaalsContact O-ND2 3.11Å
159A72.9Confident76.9Confident56 Ų5668 Ų6846%0.46339%0.393SS..Hα-helixtrans-63.8-41177.700000113.6N157 R163N157-A159 PolarHBondContact O-N 2.89Å; N157-A159 VanDerWaalsContact O-N 3.11Å; A159-R163 PolarHBondContact O-NH1 3.42Å
160L79.4Confident78Confident2 Ų268.5 Ų68.51%0.0138%0.381CS..Hα-helixtrans-70.3-45.9174-75.8167.1000109.7L112 L119 M156 N157 N162 R163 F164L112-L160 HydrophobicContact CB-CD1 4.03Å; L112-L160 HydrophobicContact CD1-CD1 3.55Å; L112-L160 HydrophobicContact CG-CD1 4.39Å; L119-L160 HydrophobicContact CD1-CD2 3.76Å; M156-L160 HydrophobicContact CG-CB 4.04Å; M156-L160 HydrophobicContact CG-CD1 4.39Å; M156-L160 HydrophobicContact SD-CB 4.08Å; N157-L160 PolarHBondContact O-N 3.19Å; N157-L160 VanDerWaalsContact O-N 3.16Å; N157-L160 WeakPolarHBondContact OD1-CB 3.38Å; N157-L160 WeakPolarHBondContact OD1-CD1 3.4Å; N157-L160 WeakPolarHBondContact OD1-CG 3.22Å; N157-L160 PolarHBondContact OD1-N 3Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 PolarHBondContact O-N 3.18Å; L160-R163 WeakPolarHBondContact O-CB 3.48Å; L160-R163 PolarHBondContact O-N 2.77Å; L160-F164 WeakPolarHBondContact O-CD2 3.38Å
161K82.6Confident79.2Confident70 Ų7063.8 Ų63.830%0.30436%0.363SS..Hα-helixtrans-52.1-45.2178.1-160.1176.4167.7-168.30112.6M156 N157 E158 R163 F164M156-K161 HydrophobicContact CE-CB 3.46Å; M156-K161 VanDerWaalsContact CE-CB 3.46Å; M156-K161 HydrophobicContact CE-CD 4.4Å; M156-K161 HydrophobicContact CE-CG 3.65Å; N157-K161 PolarHBondContact O-N 3.08Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 3.05Å; E158-K161 IonicContact OE1-NZ 3.81Å; K161-R163 PolarHBondContact O-N 3.41Å; K161-R163 VanDerWaalsContact O-N 3.09Å; K161-F164 PolarHBondContact O-N 3.11Å
162N86.8Confident80.7Confident126 Ų12657.8 Ų57.867%0.67433%0.325SS*.THydrogen-bonded Turntrans-65.6-10.2-179.3-71.6-24.3000114.2E158 L160E158-N162 WeakPolarHBondContact O-CB 3.33Å; E158-N162 PolarHBondContact O-N 3.36Å; E158-N162 PolarHBondContact O-ND2 3.27Å; E158-N162 VanDerWaalsContact O-ND2 3.11Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 PolarHBondContact O-N 3.18Å
163R91.7Very high82.1Confident71 Ų7157.3 Ų57.327%0.26831%0.308SS..THydrogen-bonded Turntrans-93.3-5.5174.8-62.5-171.4-179.8105.1-10.3113.6N26 N116 L119 A159 L160 K161N26-R163 WeakPolarHBondContact CB-O 3.41Å; N26-R163 PolarHBondContact ND2-O 3.06Å; N116-R163 VanDerWaalsContact OD1-CZ 3.3Å; N116-R163 PolarHBondContact OD1-NH1 3.08Å; N116-R163 PolarHBondContact OD1-NH2 3.46Å; L119-R163 HydrophobicContact CB-CB 4.22Å; A159-R163 PolarHBondContact O-NH1 3.42Å; L160-R163 WeakPolarHBondContact O-CB 3.48Å; L160-R163 PolarHBondContact O-N 2.77Å; K161-R163 PolarHBondContact O-N 3.41Å; K161-R163 VanDerWaalsContact O-N 3.09Å
164F95.1Very high83.5Confident16 Ų1656.3 Ų56.37%0.0731%0.308CS..SBendtrans-115.3151.1179.5-63.5-85.4000111.7N26 I27 L28 I104 L119 V142 A144 L160 K161N26-F164 HydrophobicContact CB-CD1 3.36Å; N26-F164 HydrophobicContact CB-CE1 3.65Å; N26-F164 HydrophobicContact CB-CG 4.19Å; N26-F164 WeakPolarHBondContact O-CA 3.32Å; I27-F164 WeakPolarHBondContact O-CD1 3.35Å; L28-F164 HydrophobicContact CB-CB 3.51Å; L28-F164 HydrophobicContact CB-CD1 4.14Å; L28-F164 HydrophobicContact CB-CG 3.85Å; I104-F164 HydrophobicContact CD1-CE2 4.37Å; I104-F164 HydrophobicContact CD1-CZ 4.09Å; L119-F164 HydrophobicContact CD1-CE2 3.99Å; L119-F164 HydrophobicContact CD1-CZ 3.81Å; L119-F164 HydrophobicContact CD2-CE1 3.85Å; L119-F164 HydrophobicContact CD2-CE2 4.36Å; L119-F164 HydrophobicContact CD2-CZ 3.53Å; L119-F164 HydrophobicContact CG-CZ 4.33Å; V142-F164 HydrophobicContact CG1-CE1 4.21Å; A144-F164 HydrophobicContact CB-CD1 4.37Å; A144-F164 HydrophobicContact CB-CE1 3.65Å; A144-F164 HydrophobicContact CB-CZ 3.78Å; L160-F164 WeakPolarHBondContact O-CD2 3.38Å; K161-F164 PolarHBondContact O-N 3.11Å
165V96.6Very high84.7Confident63 Ų6358.2 Ų58.238%0.38232%0.319SS..EExtended strand (participates in β ladder)trans-94.4132.8159.6-177.10000107.8L20 K25 N26 L28L20-V165 HydrophobicContact CD1-CB 3.89Å; L20-V165 HydrophobicContact CD1-CG1 3.73Å; L20-V165 HydrophobicContact CD2-CB 3.94Å; L20-V165 HydrophobicContact CD2-CG1 3.85Å; L20-V165 HydrophobicContact CD2-CG2 3.98Å; L20-V165 HydrophobicContact CG-CG1 4.46Å; K25-V165 HydrophobicContact CB-CG2 4.34Å; N26-V165 PolarHBondContact O-N 2.87Å; L28-V165 PolarHBondContact N-O 3.37Å
166V95Very high85.8Confident52 Ų5254.5 Ų54.532%0.31529%0.292SS..EExtended strand (participates in β ladder)trans-94.1133.8-171.9-174.30000110.8L28 K30L28-V166 HydrophobicContact CB-CG2 4.39Å; L28-V166 HydrophobicContact CD2-CG2 4.08Å; L28-V166 CarbonylContact O-C 3.56Å; L28-V166 WeakPolarHBondContact O-CA 3.46Å; K30-V166 HydrophobicContact CB-CG1 4.39Å; K30-V166 HydrophobicContact CD-CG1 3.76Å; K30-V166 HydrophobicContact CG-CG1 3.92Å
167I96Very high86.8Confident13 Ų1353.3 Ų53.37%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-121.6126.2167.8-65.2-179.8000107.9V13 D16 A17 L20 I27 L28 L29 K30 V169V13-I167 HydrophobicContact CB-CG2 4.5Å; V13-I167 HydrophobicContact CG1-CG2 3.85Å; D16-I167 HydrophobicContact CB-CD1 4Å; A17-I167 HydrophobicContact CB-CD1 3.79Å; L20-I167 HydrophobicContact CD1-CD1 3.77Å; L20-I167 HydrophobicContact CD1-CG1 4.13Å; I27-I167 HydrophobicContact CG2-CD1 4.11Å; I27-I167 HydrophobicContact CG2-CG1 4.44Å; L28-I167 PolarHBondContact O-N 2.89Å; L29-I167 WeakPolarHBondContact CA-O 3.38Å; L29-I167 HydrophobicContact CD2-CB 4.03Å; L29-I167 HydrophobicContact CD2-CG2 4.34Å; K30-I167 PolarHBondContact N-O 3.07Å; I167-V169 HydrophobicContact CG2-CG2 4.28Å
168H93.5Very high87.9Confident112 Ų11251.2 Ų51.252%0.51927%0.273SS..EExtended strand (participates in β ladder)trans-85.1133.4172.5-74.7-87.2000110.1K30 E148K30-H168 CarbonylContact O-C 3.49Å; K30-H168 VanDerWaalsContact O-CA 3.32Å; K30-H168 WeakPolarHBondContact O-CA 3.34Å; E148-H168 IonicContact OE1-CE1 3.88Å; E148-H168 PolarHBondContact OE1-CE1 2.73Å; E148-H168 IonicContact OE1-ND1 3.04Å; E148-H168 IonicContact OE2-ND1 3.9Å
169V92.3Very high88.8Confident1 Ų149.7 Ų49.71%0.00627%0.269CS..  trans-123.891.5-178.4-178.80000107.4Y6 V13 L29 K30 G31 S35 K37 L40 I167Y6-V169 HydrophobicContact CE2-CG1 4.29Å; Y6-V169 WeakPolarHBondContact OH-CG1 3.37Å; V13-V169 HydrophobicContact CG1-CG2 4.2Å; L29-V169 HydrophobicContact CB-CG2 4.44Å; L29-V169 HydrophobicContact CD2-CG2 4.24Å; K30-V169 PolarHBondContact O-N 2.63Å; G31-V169 WeakPolarHBondContact CA-O 3.43Å; S35-V169 WeakPolarHBondContact CB-O 3.22Å; S35-V169 PolarHBondContact OG-O 3.11Å; K37-V169 HydrophobicContact CG-CB 3.9Å; K37-V169 HydrophobicContact CG-CG1 4.11Å; K37-V169 HydrophobicContact CG-CG2 4.24Å; L40-V169 HydrophobicContact CD2-CG2 3.86Å; I167-V169 HydrophobicContact CG2-CG2 4.28Å
170D88.5Confident89.6Confident74 Ų7447.4 Ų47.440%0.39625%0.249SC..PPolyproline II helixtrans-82166.8175.1-156.6-9.4000110.7N8N8-D170 PolarHBondContact ND2-O 3.34Å
171Y86.3Confident90.3Very high13 Ų1347.3 Ų47.35%0.05125%0.248CC..PPolyproline II helixtrans-58.5143.7173.2-68.1-58.6000112P32 T33 R204 E214 I219P32-Y171 HydrophobicContact CB-CD2 4.4Å; P32-Y171 HydrophobicContact CB-CE1 4.44Å; P32-Y171 HydrophobicContact CB-CE2 3.6Å; P32-Y171 HydrophobicContact CG-CD1 4.39Å; P32-Y171 HydrophobicContact CG-CD2 3.64Å; P32-Y171 HydrophobicContact CG-CE1 4.11Å; P32-Y171 HydrophobicContact CG-CE2 3.32Å; P32-Y171 HydrophobicContact CG-CG 4.18Å; T33-Y171 VanDerWaalsContact O-CE1 3.28Å; T33-Y171 WeakPolarHBondContact O-CE1 3.4Å; T33-Y171 PolarHBondContact O-OH 2.94Å; Y171-R204 HydrophobicContact CD2-CG 4.33Å; Y171-E214 PolarHBondContact OH-O 3.3Å; Y171-I219 HydrophobicContact CD1-CD1 4.32Å; Y171-I219 HydrophobicContact CD1-CG1 3.88Å; Y171-I219 HydrophobicContact CE1-CG1 4.47Å
172I86.5Confident90.8Very high12 Ų1246.9 Ų46.96%0.06225%0.246CC..PPolyproline II helixtrans-77.3148.7168.459.6175.7000110.8K7 N8 I176 L177 V180 I219K7-I172 WeakPolarHBondContact O-CG2 3.37Å; N8-I172 HydrophobicContact CB-CG2 4.38Å; I172-I176 HydrophobicContact CB-CG2 4.18Å; I172-I176 HydrophobicContact CG2-CG2 4.21Å; I172-L177 HydrophobicContact CD1-CB 4.45Å; I172-L177 HydrophobicContact CD1-CD1 3.94Å; I172-L177 HydrophobicContact CG1-CB 4.22Å; I172-L177 HydrophobicContact CG1-CD1 3.97Å; I172-V180 HydrophobicContact CD1-CB 3.74Å; I172-V180 HydrophobicContact CD1-CG1 3.87Å; I172-V180 HydrophobicContact CD1-CG2 3.52Å; I172-I219 HydrophobicContact CG1-CD1 4.07Å; I172-I219 HydrophobicContact CG1-CG1 4.16Å
173D85.1Confident91Very high55 Ų5544.7 Ų44.729%0.29423%0.232SC..  trans-142.1-178.7177.252.322.8000112.4I176 L177 R204D173-I176 PolarHBondContact O-N 3.24Å; D173-L177 PolarHBondContact O-N 3.09Å; D173-L177 VanDerWaalsContact O-N 3.16Å; D173-R204 IonicContact OD2-CZ 3.02Å; D173-R204 IonicContact OD2-NH1 3.51Å; D173-R204 PolarHBondContact OD2-NH1 3.45Å; D173-R204 IonicContact OD2-NH2 2.7Å
174G86.7Confident91Very high31 Ų3144.4 Ų44.432%0.3223%0.234SC..Hα-helixtrans53.3-138.2176.700000114.4I176 L177 K178G174-I176 PolarHBondContact O-N 3.05Å; G174-L177 PolarHBondContact O-N 3.35Å; G174-K178 PolarHBondContact O-N 2.82Å
175D87.4Confident90.9Very high123 Ų12344.2 Ų44.266%0.65823%0.234SC*.Hα-helixtrans-61.3-28.4-176.9-71.2-38.9000113.3K178 N179D175-K178 WeakPolarHBondContact O-CB 3.4Å; D175-K178 PolarHBondContact O-N 3.48Å; D175-N179 WeakPolarHBondContact O-CB 3.19Å; D175-N179 PolarHBondContact O-N 2.75Å; D175-N179 PolarHBondContact O-ND2 2.77Å
176I88.1Confident90.8Very high42 Ų4247.1 Ų47.122%0.21525%0.247CC..Hα-helixtrans-72.3-44.6179.3-65175.5000109.9K7 N8 I172 D173 G174 K178 N179 V180K7-I176 HydrophobicContact CB-CG2 3.73Å; N8-I176 VanDerWaalsContact C-CD1 3.44Å; N8-I176 WeakPolarHBondContact O-CD1 2.74Å; I172-I176 HydrophobicContact CB-CG2 4.18Å; I172-I176 HydrophobicContact CG2-CG2 4.21Å; D173-I176 PolarHBondContact O-N 3.24Å; G174-I176 PolarHBondContact O-N 3.05Å; I176-K178 VanDerWaalsContact C-N 3.31Å; I176-K178 PolarHBondContact O-N 3.33Å; I176-N179 PolarHBondContact O-N 3.43Å; I176-V180 WeakPolarHBondContact O-CG2 3.39Å; I176-V180 PolarHBondContact O-N 3.25Å
177L90.5Very high90.8Very high2 Ų245 Ų451%0.0123%0.234CC..Hα-helixtrans-61.6-42.3172.9179.453.3000111.2I172 D173 G174 N179 V180 I181 I197 I219 L222I172-L177 HydrophobicContact CD1-CB 4.45Å; I172-L177 HydrophobicContact CD1-CD1 3.94Å; I172-L177 HydrophobicContact CG1-CB 4.22Å; I172-L177 HydrophobicContact CG1-CD1 3.97Å; D173-L177 PolarHBondContact O-N 3.09Å; D173-L177 VanDerWaalsContact O-N 3.16Å; G174-L177 PolarHBondContact O-N 3.35Å; L177-N179 VanDerWaalsContact C-N 3.32Å; L177-N179 PolarHBondContact O-N 3.41Å; L177-V180 CarbonylContact O-C 3.55Å; L177-V180 PolarHBondContact O-N 3.42Å; L177-V180 VanDerWaalsContact O-N 3.12Å; L177-I181 HydrophobicContact CD1-CD1 4.09Å; L177-I181 HydrophobicContact CD1-CG1 4.1Å; L177-I181 HydrophobicContact CG-CD1 3.95Å; L177-I181 HydrophobicContact CG-CG1 4.43Å; L177-I181 WeakPolarHBondContact O-CG1 3.18Å; L177-I181 PolarHBondContact O-N 2.86Å; L177-I197 HydrophobicContact CB-CD1 4.49Å; L177-I197 HydrophobicContact CD2-CG1 3.99Å; L177-I197 HydrophobicContact CD2-CG2 4.34Å; L177-I197 HydrophobicContact CG-CD1 4.34Å; L177-I197 HydrophobicContact CG-CG1 4.05Å; L177-I219 HydrophobicContact CD1-CD1 3.76Å; L177-I219 HydrophobicContact CD1-CG2 4.32Å; L177-I219 HydrophobicContact CD2-CD1 4.25Å; L177-L222 HydrophobicContact CD1-CD2 3.94Å; L177-L222 HydrophobicContact CD2-CD2 3.78Å; L177-L222 HydrophobicContact CG-CD2 4.2Å
178K93Very high90.7Very high31 Ų3149.5 Ų49.514%0.13526%0.255CS..Hα-helixtrans-55.1-47174.1-174.9170.2-176.61770112.2G174 D175 I176 I181 K182 D190 I193 E194 I197G174-K178 PolarHBondContact O-N 2.82Å; D175-K178 WeakPolarHBondContact O-CB 3.4Å; D175-K178 PolarHBondContact O-N 3.48Å; I176-K178 VanDerWaalsContact C-N 3.31Å; I176-K178 PolarHBondContact O-N 3.33Å; K178-I181 PolarHBondContact O-N 3.13Å; K178-K182 PolarHBondContact O-N 3.16Å; K178-D190 WeakPolarHBondContact CE-OD1 3.22Å; K178-D190 IonicContact NZ-OD1 3.37Å; K178-D190 PolarHBondContact NZ-OD1 3.12Å; K178-I193 HydrophobicContact CB-CG2 4.31Å; K178-I193 HydrophobicContact CG-CG2 3.83Å; K178-E194 IonicContact NZ-OE1 3.93Å; K178-E194 PolarHBondContact NZ-OE1 3.34Å; K178-I197 HydrophobicContact CB-CD1 3.66Å; K178-I197 HydrophobicContact CG-CD1 4.39Å
179N91Very high90.8Very high79 Ų7948 Ų4842%0.42225%0.251SS..Hα-helixtrans-64.4-41.1176.5-71.8-35.9000112D175 I176 L177 K182 E183D175-N179 WeakPolarHBondContact O-CB 3.19Å; D175-N179 PolarHBondContact O-N 2.75Å; D175-N179 PolarHBondContact O-ND2 2.77Å; I176-N179 PolarHBondContact O-N 3.43Å; L177-N179 VanDerWaalsContact C-N 3.32Å; L177-N179 PolarHBondContact O-N 3.41Å; N179-K182 PolarHBondContact O-N 2.58Å; N179-E183 WeakPolarHBondContact O-CB 3.49Å; N179-E183 VanDerWaalsContact O-CG 3.29Å; N179-E183 WeakPolarHBondContact O-CG 3.39Å; N179-E183 PolarHBondContact O-N 2.85Å
180V90.1Very high90.9Very high7 Ų751.3 Ų51.34%0.04227%0.268CS..Hα-helixtrans-62.8-43.3176.1164.40000111.3K7 I172 I176 L177 E183 Q184K7-V180 HydrophobicContact CB-CG2 4.5Å; K7-V180 HydrophobicContact CD-CG2 4.36Å; I172-V180 HydrophobicContact CD1-CB 3.74Å; I172-V180 HydrophobicContact CD1-CG1 3.87Å; I172-V180 HydrophobicContact CD1-CG2 3.52Å; I176-V180 WeakPolarHBondContact O-CG2 3.39Å; I176-V180 PolarHBondContact O-N 3.25Å; L177-V180 CarbonylContact O-C 3.55Å; L177-V180 PolarHBondContact O-N 3.42Å; L177-V180 VanDerWaalsContact O-N 3.12Å; V180-E183 PolarHBondContact O-N 3.27Å; V180-Q184 HydrophobicContact CG1-CG 4.33Å; V180-Q184 WeakPolarHBondContact O-CA 3.37Å; V180-Q184 WeakPolarHBondContact O-CB 3.45Å; V180-Q184 WeakPolarHBondContact O-CG 3.4Å; V180-Q184 PolarHBondContact O-N 3.37Å
181I93.3Very high91.2Very high0 Ų054.9 Ų54.90%028%0.28CS..Hα-helixtrans-60.3-50.4175.9-70.7166.2000110.5L177 K178 E183 Q184 S185 I193 I197 L222 L223 C226L177-I181 HydrophobicContact CD1-CD1 4.09Å; L177-I181 HydrophobicContact CD1-CG1 4.1Å; L177-I181 HydrophobicContact CG-CD1 3.95Å; L177-I181 HydrophobicContact CG-CG1 4.43Å; L177-I181 WeakPolarHBondContact O-CG1 3.18Å; L177-I181 PolarHBondContact O-N 2.86Å; K178-I181 PolarHBondContact O-N 3.13Å; I181-E183 VanDerWaalsContact C-N 3.28Å; I181-E183 PolarHBondContact O-N 2.94Å; I181-Q184 PolarHBondContact O-N 3.49Å; I181-S185 WeakPolarHBondContact CG2-OG 3.44Å; I181-S185 WeakPolarHBondContact O-CA 3.45Å; I181-S185 WeakPolarHBondContact O-CB 3.37Å; I181-S185 PolarHBondContact O-N 3.2Å; I181-S185 PolarHBondContact O-OG 2.72Å; I181-I193 HydrophobicContact CB-CG2 4.29Å; I181-I193 HydrophobicContact CD1-CG2 3.94Å; I181-I193 HydrophobicContact CG2-CD1 4.11Å; I181-I193 HydrophobicContact CG2-CG1 3.88Å; I181-I193 HydrophobicContact CG2-CG2 4.09Å; I181-I197 HydrophobicContact CD1-CD1 4.19Å; I181-I197 HydrophobicContact CD1-CG1 3.81Å; I181-L222 HydrophobicContact CD1-CD2 3.97Å; I181-L223 HydrophobicContact CG1-CD2 4.36Å; I181-C226 HydrophobicContact CG2-CB 4.14Å; I181-C226 VanDerWaalsContact CG2-SG 3.52Å
182K93.7Very high91.5Very high61 Ų6157.7 Ų57.727%0.26529%0.294SS..Hα-helixtrans-61-37.9179.6-75.8-168.8172.6-172.30113.1K178 N179 Q188 D190 I193K178-K182 PolarHBondContact O-N 3.16Å; N179-K182 PolarHBondContact O-N 2.58Å; K182-Q188 PolarHBondContact O-NE2 2.9Å; K182-D190 WeakPolarHBondContact CE-OD1 3.21Å; K182-D190 IonicContact NZ-OD1 2.96Å; K182-D190 PolarHBondContact NZ-OD1 3.31Å; K182-D190 IonicContact NZ-OD2 2.7Å; K182-D190 PolarHBondContact NZ-OD2 2.78Å; K182-D190 VanDerWaalsContact NZ-OD2 3.11Å; K182-I193 HydrophobicContact CD-CD1 4.47Å; K182-I193 HydrophobicContact CG-CD1 3.66Å
183E91.1Very high92Very high80 Ų8057.1 Ų57.137%0.37429%0.291SS..Hα-helixtrans-75.8-41.3179.5-74.7175175.900111.3K4 K7 N179 V180 I181K4-E183 HydrophobicContact CD-CB 4.12Å; K4-E183 WeakPolarHBondContact CE-O 3.33Å; K4-E183 PolarHBondContact NZ-O 2.96Å; K7-E183 IonicContact NZ-OE1 2.63Å; K7-E183 PolarHBondContact NZ-OE1 3.21Å; K7-E183 IonicContact NZ-OE2 3.2Å; K7-E183 PolarHBondContact NZ-OE2 3.43Å; N179-E183 WeakPolarHBondContact O-CB 3.49Å; N179-E183 VanDerWaalsContact O-CG 3.29Å; N179-E183 WeakPolarHBondContact O-CG 3.39Å; N179-E183 PolarHBondContact O-N 2.85Å; V180-E183 PolarHBondContact O-N 3.27Å; I181-E183 VanDerWaalsContact C-N 3.28Å; I181-E183 PolarHBondContact O-N 2.94Å
184Q91.3Very high92.4Very high66 Ų6659.5 Ų59.531%0.30830%0.3SS..Hα-helixtrans-102.1-9.4-166.3-60.4-173.13100115.2K4 V180 I181 L223K4-Q184 HydrophobicContact CD-CG 3.6Å; V180-Q184 HydrophobicContact CG1-CG 4.33Å; V180-Q184 WeakPolarHBondContact O-CA 3.37Å; V180-Q184 WeakPolarHBondContact O-CB 3.45Å; V180-Q184 WeakPolarHBondContact O-CG 3.4Å; V180-Q184 PolarHBondContact O-N 3.37Å; I181-Q184 PolarHBondContact O-N 3.49Å; Q184-L223 HydrophobicContact CB-CD1 4.1Å; Q184-L223 HydrophobicContact CB-CD2 3.87Å
185S94Very high92.8Very high11 Ų1161.5 Ų61.58%0.07730%0.301CS..SBendtrans-121.7170.6175.378.30000111.8I181 L187 Q188 C226 D227I181-S185 WeakPolarHBondContact CG2-OG 3.44Å; I181-S185 WeakPolarHBondContact O-CA 3.45Å; I181-S185 WeakPolarHBondContact O-CB 3.37Å; I181-S185 PolarHBondContact O-N 3.2Å; I181-S185 PolarHBondContact O-OG 2.72Å; S185-L187 VanDerWaalsContact C-N 3.27Å; S185-L187 PolarHBondContact OG-N 3.46Å; S185-Q188 PolarHBondContact O-NE2 3.19Å; S185-C226 WeakPolarHBondContact OG-CB 3.46Å; S185-D227 VanDerWaalsContact CA-OD1 3.22Å; S185-D227 WeakPolarHBondContact CA-OD1 3.19Å; S185-D227 VanDerWaalsContact CB-OD1 3.28Å; S185-D227 WeakPolarHBondContact CB-OD1 3.22Å
186L93.9Very high93.1Very high125 Ų12555.7 Ų55.765%0.65427%0.27SS*.SBendtrans-77.4-12.9172.9-61.2176.8000112.7D227 T230L186-D227 PolarHBondContact N-OD1 3.03Å; L186-T230 HydrophobicContact CB-CG2 3.98Å
187L94.3Very high93.4Very high7 Ų754.2 Ų54.24%0.03726%0.263CS..  trans-77.8124.8-177-170.365.9000111.3S185 Q192 I193 I196 C226 I229 T230S185-L187 VanDerWaalsContact C-N 3.27Å; S185-L187 PolarHBondContact OG-N 3.46Å; L187-Q192 HydrophobicContact CD2-CB 4.43Å; L187-I193 HydrophobicContact CD2-CG1 3.65Å; L187-I193 HydrophobicContact CG-CD1 4.39Å; L187-I193 HydrophobicContact CG-CG1 3.85Å; L187-I196 HydrophobicContact CD2-CD1 3.36Å; L187-C226 HydrophobicContact CB-CB 3.93Å; L187-C226 HydrophobicContact CD2-CB 4.05Å; L187-I229 HydrophobicContact CD1-CG2 4.36Å; L187-T230 HydrophobicContact CB-CG2 4.43Å; L187-T230 HydrophobicContact CD1-CG2 4.27Å
188Q94.1Very high93.6Very high108 Ų10859.4 Ų59.451%0.50529%0.285SS..  trans-122.4-11.7-177.7-57.5-59.3-47.600113.7K182 S185 D190K182-Q188 PolarHBondContact O-NE2 2.9Å; S185-Q188 PolarHBondContact O-NE2 3.19Å; Q188-D190 PolarHBondContact O-N 2.99Å
189D95Very high93.7Very high81 Ų8158 Ų5843%0.43328%0.279SS..  trans-71114.3-179.5-176.1-67.9000110.9K191 Q192 I193D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 3.24Å; D189-K191 WeakPolarHBondContact OD1-CA 3.3Å; D189-K191 WeakPolarHBondContact OD1-CB 3.34Å; D189-K191 PolarHBondContact OD1-N 3.39Å; D189-Q192 HydrophobicContact CB-CB 4.15Å; D189-Q192 HydrophobicContact CB-CG 4.23Å; D189-Q192 PolarHBondContact O-N 2.86Å; D189-Q192 PolarHBondContact OD1-N 2.9Å; D189-I193 WeakPolarHBondContact O-CB 3.36Å; D189-I193 WeakPolarHBondContact O-CD1 3.45Å; D189-I193 WeakPolarHBondContact O-CG1 3.44Å; D189-I193 PolarHBondContact O-N 2.95Å
190D94.9Very high93.8Very high70 Ų7054.3 Ų54.337%0.37426%0.259SS..Hα-helixtrans-60.5-37-175.6-85.4-43.5000113.7K178 K182 Q188 E194K178-D190 WeakPolarHBondContact CE-OD1 3.22Å; K178-D190 IonicContact NZ-OD1 3.37Å; K178-D190 PolarHBondContact NZ-OD1 3.12Å; K182-D190 WeakPolarHBondContact CE-OD1 3.21Å; K182-D190 IonicContact NZ-OD1 2.96Å; K182-D190 PolarHBondContact NZ-OD1 3.31Å; K182-D190 IonicContact NZ-OD2 2.7Å; K182-D190 PolarHBondContact NZ-OD2 2.78Å; K182-D190 VanDerWaalsContact NZ-OD2 3.11Å; Q188-D190 PolarHBondContact O-N 2.99Å; D190-E194 WeakPolarHBondContact O-CB 3.3Å; D190-E194 VanDerWaalsContact O-CG 3.3Å; D190-E194 WeakPolarHBondContact O-CG 3.17Å; D190-E194 PolarHBondContact O-N 2.88Å
191K94Very high93.9Very high148 Ų14857.6 Ų57.664%0.64327%0.274SS*.Hα-helixtrans-71.7-43.7-177.2-175.9-176.7176.3-173.10110.5D189 I193 E194 Q195D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 3.24Å; D189-K191 WeakPolarHBondContact OD1-CA 3.3Å; D189-K191 WeakPolarHBondContact OD1-CB 3.34Å; D189-K191 PolarHBondContact OD1-N 3.39Å; K191-I193 VanDerWaalsContact C-N 3.35Å; K191-E194 PolarHBondContact O-N 2.91Å; K191-Q195 WeakPolarHBondContact O-CG 3.49Å; K191-Q195 PolarHBondContact O-N 2.82Å; K191-Q195 VanDerWaalsContact O-N 3.09Å
192Q93.8Very high93.9Very high72 Ų7260.4 Ų60.434%0.33629%0.289SS..Hα-helixtrans-64.3-41.7175.5-70.5-174.7-26.500111.3L187 D189 E194 Q195 I196L187-Q192 HydrophobicContact CD2-CB 4.43Å; D189-Q192 HydrophobicContact CB-CB 4.15Å; D189-Q192 HydrophobicContact CB-CG 4.23Å; D189-Q192 PolarHBondContact O-N 2.86Å; D189-Q192 PolarHBondContact OD1-N 2.9Å; Q192-E194 VanDerWaalsContact C-N 3.34Å; Q192-E194 PolarHBondContact O-N 2.95Å; Q192-Q195 PolarHBondContact O-N 2.7Å; Q192-I196 WeakPolarHBondContact O-CB 3.27Å; Q192-I196 WeakPolarHBondContact O-CD1 3.21Å; Q192-I196 VanDerWaalsContact O-CG1 3.24Å; Q192-I196 WeakPolarHBondContact O-CG1 3.41Å; Q192-I196 PolarHBondContact O-N 3.31Å
193I95.8Very high93.9Very high0 Ų057.5 Ų57.50%028%0.276CS..Hα-helixtrans-60.9-44.3177-66.6165.5000110.7K178 I181 K182 L187 D189 K191 Q195 I196 I197K178-I193 HydrophobicContact CB-CG2 4.31Å; K178-I193 HydrophobicContact CG-CG2 3.83Å; I181-I193 HydrophobicContact CB-CG2 4.29Å; I181-I193 HydrophobicContact CD1-CG2 3.94Å; I181-I193 HydrophobicContact CG2-CD1 4.11Å; I181-I193 HydrophobicContact CG2-CG1 3.88Å; I181-I193 HydrophobicContact CG2-CG2 4.09Å; K182-I193 HydrophobicContact CD-CD1 4.47Å; K182-I193 HydrophobicContact CG-CD1 3.66Å; L187-I193 HydrophobicContact CD2-CG1 3.65Å; L187-I193 HydrophobicContact CG-CD1 4.39Å; L187-I193 HydrophobicContact CG-CG1 3.85Å; D189-I193 WeakPolarHBondContact O-CB 3.36Å; D189-I193 WeakPolarHBondContact O-CD1 3.45Å; D189-I193 WeakPolarHBondContact O-CG1 3.44Å; D189-I193 PolarHBondContact O-N 2.95Å; K191-I193 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 3.21Å; I193-I196 PolarHBondContact O-N 2.75Å; I193-I197 HydrophobicContact CG2-CD1 3.76Å; I193-I197 HydrophobicContact CG2-CG1 4.3Å; I193-I197 VanDerWaalsContact O-CG1 3.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.17Å; I193-I197 PolarHBondContact O-N 2.79Å
194E94.7Very high93.9Very high106 Ų10654.8 Ų54.850%0.49526%0.263SS..Hα-helixtrans-61.9-40.8176.9-77.1168.6-163.200112.6K178 D190 K191 Q192 I197 K198K178-E194 IonicContact NZ-OE1 3.93Å; K178-E194 PolarHBondContact NZ-OE1 3.34Å; D190-E194 WeakPolarHBondContact O-CB 3.3Å; D190-E194 VanDerWaalsContact O-CG 3.3Å; D190-E194 WeakPolarHBondContact O-CG 3.17Å; D190-E194 PolarHBondContact O-N 2.88Å; K191-E194 PolarHBondContact O-N 2.91Å; Q192-E194 VanDerWaalsContact C-N 3.34Å; Q192-E194 PolarHBondContact O-N 2.95Å; E194-I197 PolarHBondContact O-N 2.91Å; E194-K198 PolarHBondContact O-N 2.97Å
195Q94.2Very high93.9Very high72 Ų7255.1 Ų55.134%0.33627%0.27SS..Hα-helixtrans-63.5-42.2174.8-71.1179.1-56.100112K191 Q192 I193 K198 F199 F263K191-Q195 WeakPolarHBondContact O-CG 3.49Å; K191-Q195 PolarHBondContact O-N 2.82Å; K191-Q195 VanDerWaalsContact O-N 3.09Å; Q192-Q195 PolarHBondContact O-N 2.7Å; I193-Q195 PolarHBondContact O-N 3.21Å; Q195-K198 PolarHBondContact O-N 2.88Å; Q195-F199 WeakPolarHBondContact O-CB 3.43Å; Q195-F199 PolarHBondContact O-N 2.81Å; Q195-F263 HydrophobicContact CB-CE1 3.91Å
196I94.7Very high93.9Very high1 Ų155.6 Ų55.61%0.00527%0.271CS..Hα-helixtrans-66.7-40.1178.2-69.8162.3000111.4L187 Q192 I193 F199 N200 L222 L225 I229 F263L187-I196 HydrophobicContact CD2-CD1 3.36Å; Q192-I196 WeakPolarHBondContact O-CB 3.27Å; Q192-I196 WeakPolarHBondContact O-CD1 3.21Å; Q192-I196 VanDerWaalsContact O-CG1 3.24Å; Q192-I196 WeakPolarHBondContact O-CG1 3.41Å; Q192-I196 PolarHBondContact O-N 3.31Å; I193-I196 PolarHBondContact O-N 2.75Å; I196-F199 PolarHBondContact O-N 3.3Å; I196-N200 WeakPolarHBondContact O-CB 3.1Å; I196-N200 PolarHBondContact O-N 3.19Å; I196-L222 HydrophobicContact CG2-CD1 3.31Å; I196-L222 HydrophobicContact CG2-CG 3.96Å; I196-L225 HydrophobicContact CG2-CD2 4.31Å; I196-I229 HydrophobicContact CD1-CD1 3.41Å; I196-I229 VanDerWaalsContact CD1-CD1 3.41Å; I196-I229 HydrophobicContact CG1-CD1 3.92Å; I196-F263 HydrophobicContact CG1-CE1 4.49Å; I196-F263 HydrophobicContact CG1-CZ 4.26Å
197I94.4Very high93.6Very high12 Ų1250.5 Ų50.56%0.06225%0.245CC..Hα-helixtrans-61.6-46.9175.5-72170.6000110.2L177 K178 I181 I193 E194 F199 N200 E201L177-I197 HydrophobicContact CB-CD1 4.49Å; L177-I197 HydrophobicContact CD2-CG1 3.99Å; L177-I197 HydrophobicContact CD2-CG2 4.34Å; L177-I197 HydrophobicContact CG-CD1 4.34Å; L177-I197 HydrophobicContact CG-CG1 4.05Å; K178-I197 HydrophobicContact CB-CD1 3.66Å; K178-I197 HydrophobicContact CG-CD1 4.39Å; I181-I197 HydrophobicContact CD1-CD1 4.19Å; I181-I197 HydrophobicContact CD1-CG1 3.81Å; I193-I197 HydrophobicContact CG2-CD1 3.76Å; I193-I197 HydrophobicContact CG2-CG1 4.3Å; I193-I197 VanDerWaalsContact O-CG1 3.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.17Å; I193-I197 PolarHBondContact O-N 2.79Å; E194-I197 PolarHBondContact O-N 2.91Å; I197-F199 PolarHBondContact O-N 2.83Å; I197-N200 WeakPolarHBondContact O-CB 3.45Å; I197-N200 PolarHBondContact O-N 2.92Å; I197-N200 VanDerWaalsContact O-N 3.12Å; I197-E201 WeakPolarHBondContact O-CG 3.42Å; I197-E201 PolarHBondContact O-N 3.47Å
198K94.1Very high93.3Very high111 Ų11157.1 Ų57.148%0.48327%0.274SS..Hα-helixtrans-59.5-45.9176.6-174-172.9172.3-159.80111.7E194 Q195 N200 E201 D202E194-K198 PolarHBondContact O-N 2.97Å; Q195-K198 PolarHBondContact O-N 2.88Å; K198-N200 VanDerWaalsContact C-N 3.29Å; K198-N200 PolarHBondContact O-N 2.9Å; K198-E201 WeakPolarHBondContact O-CB 3.45Å; K198-E201 PolarHBondContact O-N 3.18Å; K198-E201 VanDerWaalsContact O-N 3.15Å; K198-D202 PolarHBondContact O-N 3.02Å; K198-D202 VanDerWaalsContact O-N 3.11Å
199F95.3Very high93.1Very high0 Ų057.8 Ų57.80%028%0.277CS..Hα-helixtrans-57.9-42.2174.2171.7-110.6000111.9Q195 I196 I197 E201 D202 L203 L225 I238 I242 I255 A258 V259 N262 F263Q195-F199 WeakPolarHBondContact O-CB 3.43Å; Q195-F199 PolarHBondContact O-N 2.81Å; I196-F199 PolarHBondContact O-N 3.3Å; I197-F199 PolarHBondContact O-N 2.83Å; F199-E201 PolarHBondContact O-N 3.17Å; F199-D202 WeakPolarHBondContact O-CB 3.43Å; F199-D202 PolarHBondContact O-N 3.28Å; F199-L203 HydrophobicContact CD1-CD1 4.22Å; F199-L203 HydrophobicContact CE1-CD1 3.58Å; F199-L203 HydrophobicContact CE1-CG 4.16Å; F199-L203 HydrophobicContact CE2-CD1 4.44Å; F199-L203 HydrophobicContact CE2-CD2 4.06Å; F199-L203 HydrophobicContact CE2-CG 4.23Å; F199-L203 HydrophobicContact CZ-CD1 3.71Å; F199-L203 HydrophobicContact CZ-CD2 3.98Å; F199-L203 HydrophobicContact CZ-CG 3.98Å; F199-L203 WeakPolarHBondContact O-CG 3.43Å; F199-L203 PolarHBondContact O-N 2.85Å; F199-L225 HydrophobicContact CD1-CD2 4.42Å; F199-L225 HydrophobicContact CE1-CD2 4.33Å; F199-I238 HydrophobicContact CD1-CD1 4.36Å; F199-I238 HydrophobicContact CE1-CD1 3.94Å; F199-I238 HydrophobicContact CE1-CG1 4.25Å; F199-I238 HydrophobicContact CE1-CG2 4.2Å; F199-I238 HydrophobicContact CZ-CD1 4.05Å; F199-I238 HydrophobicContact CZ-CG2 3.87Å; F199-I242 HydrophobicContact CE1-CD1 3.88Å; F199-I255 HydrophobicContact CE2-CG2 4.49Å; F199-I255 HydrophobicContact CZ-CG2 4.02Å; F199-A258 HydrophobicContact CD2-CB 4.39Å; F199-A258 HydrophobicContact CE2-CB 3.94Å; F199-V259 HydrophobicContact CE2-CG2 3.86Å; F199-V259 HydrophobicContact CZ-CG2 4.01Å; F199-N262 HydrophobicContact CB-CB 4.16Å; F199-N262 HydrophobicContact CD2-CB 4.32Å; F199-F263 HydrophobicContact CB-CE2 3.94Å; F199-F263 HydrophobicContact CB-CZ 4.11Å; F199-F263 HydrophobicContact CD1-CE2 4.28Å; F199-F263 HydrophobicContact CD2-CE2 4.12Å; F199-F263 AromaticContact CG-CE2 3.85Å; F199-F263 HydrophobicContact CG-CE2 3.85Å; F199-F263 HydrophobicContact CG-CZ 4.38Å
200N93.3Very high92.7Very high2 Ų257 Ų571%0.01129%0.289CS..Hα-helixtrans-67.2-32.6176.8-168.663000113.3I196 I197 K198 D202 L203 R204 A217 L222I196-N200 WeakPolarHBondContact O-CB 3.1Å; I196-N200 PolarHBondContact O-N 3.19Å; I197-N200 WeakPolarHBondContact O-CB 3.45Å; I197-N200 PolarHBondContact O-N 2.92Å; I197-N200 VanDerWaalsContact O-N 3.12Å; K198-N200 VanDerWaalsContact C-N 3.29Å; K198-N200 PolarHBondContact O-N 2.9Å; N200-D202 VanDerWaalsContact C-N 3.34Å; N200-L203 PolarHBondContact O-N 3.25Å; N200-R204 WeakPolarHBondContact O-CB 3.31Å; N200-R204 VanDerWaalsContact O-CG 3.31Å; N200-R204 WeakPolarHBondContact O-CG 3.2Å; N200-R204 PolarHBondContact O-N 2.9Å; N200-A217 PolarHBondContact OD1-O 3.03Å; N200-L222 HydrophobicContact CB-CD1 3.72Å; N200-L222 HydrophobicContact CB-CD2 4.01Å; N200-L222 HydrophobicContact CB-CG 4.5Å
201E92.7Very high92.5Very high77 Ų7758.1 Ų58.136%0.3629%0.291SS..Hα-helixtrans-64.2-39.3172.6-72172.4179.800111.8I197 K198 F199 R204 T205I197-E201 WeakPolarHBondContact O-CG 3.42Å; I197-E201 PolarHBondContact O-N 3.47Å; K198-E201 WeakPolarHBondContact O-CB 3.45Å; K198-E201 PolarHBondContact O-N 3.18Å; K198-E201 VanDerWaalsContact O-N 3.15Å; F199-E201 PolarHBondContact O-N 3.17Å; E201-R204 PolarHBondContact O-N 2.9Å; E201-T205 WeakPolarHBondContact O-CB 3.26Å; E201-T205 PolarHBondContact O-N 3.31Å; E201-T205 PolarHBondContact O-OG1 2.66Å
202D93.4Very high92.4Very high58 Ų5851.3 Ų51.331%0.3126%0.262SS..Hα-helixtrans-63.1-47.9172.6-69.1-21.4000110.5K198 F199 N200 R204 T205 M206 N262K198-D202 PolarHBondContact O-N 3.02Å; K198-D202 VanDerWaalsContact O-N 3.11Å; F199-D202 WeakPolarHBondContact O-CB 3.43Å; F199-D202 PolarHBondContact O-N 3.28Å; N200-D202 VanDerWaalsContact C-N 3.34Å; D202-R204 VanDerWaalsContact C-N 3.35Å; D202-R204 PolarHBondContact O-N 3.03Å; D202-T205 WeakPolarHBondContact O-CB 3.35Å; D202-T205 PolarHBondContact O-N 3.27Å; D202-T205 VanDerWaalsContact O-N 3.07Å; D202-M206 VanDerWaalsContact O-CG 3.25Å; D202-M206 WeakPolarHBondContact O-CG 3.44Å; D202-M206 PolarHBondContact O-N 2.84Å; D202-N262 PolarHBondContact OD2-ND2 2.82Å
203L93.3Very high92.1Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-59.1-43176.2-64.7-171.1000112.4F199 N200 T205 M206 S207 I212 A216 A217 I242 I255F199-L203 HydrophobicContact CD1-CD1 4.22Å; F199-L203 HydrophobicContact CE1-CD1 3.58Å; F199-L203 HydrophobicContact CE1-CG 4.16Å; F199-L203 HydrophobicContact CE2-CD1 4.44Å; F199-L203 HydrophobicContact CE2-CD2 4.06Å; F199-L203 HydrophobicContact CE2-CG 4.23Å; F199-L203 HydrophobicContact CZ-CD1 3.71Å; F199-L203 HydrophobicContact CZ-CD2 3.98Å; F199-L203 HydrophobicContact CZ-CG 3.98Å; F199-L203 WeakPolarHBondContact O-CG 3.43Å; F199-L203 PolarHBondContact O-N 2.85Å; N200-L203 PolarHBondContact O-N 3.25Å; L203-T205 VanDerWaalsContact C-N 3.28Å; L203-T205 PolarHBondContact O-N 2.89Å; L203-M206 HydrophobicContact CD2-SD 4.09Å; L203-M206 PolarHBondContact O-N 3.43Å; L203-S207 WeakPolarHBondContact O-CB 3.34Å; L203-S207 PolarHBondContact O-N 2.98Å; L203-I212 HydrophobicContact CB-CD1 4Å; L203-I212 HydrophobicContact CD2-CD1 3.82Å; L203-I212 HydrophobicContact CG-CD1 4.45Å; L203-I212 WeakPolarHBondContact O-CD1 3.42Å; L203-A216 WeakPolarHBondContact CD1-O 3.46Å; L203-A217 HydrophobicContact CB-CB 3.98Å; L203-I242 HydrophobicContact CD1-CD1 3.88Å; L203-I242 HydrophobicContact CD1-CG2 4.4Å; L203-I255 HydrophobicContact CD2-CD1 4.16Å; L203-I255 HydrophobicContact CD2-CG1 3.89Å; L203-I255 HydrophobicContact CD2-CG2 4.22Å
204R90.1Very high91.5Very high24 Ų2452.5 Ų52.59%0.09127%0.272CS..Hα-helixtrans-59.6-41.5174.6-77.4176.265.1-152.96.4111.5Y171 D173 N200 E201 D202 S207 K208 A217Y171-R204 HydrophobicContact CD2-CG 4.33Å; D173-R204 IonicContact OD2-CZ 3.02Å; D173-R204 IonicContact OD2-NH1 3.51Å; D173-R204 PolarHBondContact OD2-NH1 3.45Å; D173-R204 IonicContact OD2-NH2 2.7Å; N200-R204 WeakPolarHBondContact O-CB 3.31Å; N200-R204 VanDerWaalsContact O-CG 3.31Å; N200-R204 WeakPolarHBondContact O-CG 3.2Å; N200-R204 PolarHBondContact O-N 2.9Å; E201-R204 PolarHBondContact O-N 2.9Å; D202-R204 VanDerWaalsContact C-N 3.35Å; D202-R204 PolarHBondContact O-N 3.03Å; R204-S207 PolarHBondContact O-N 3.3Å; R204-K208 WeakPolarHBondContact O-CG 3.45Å; R204-K208 PolarHBondContact O-N 3.12Å; R204-A217 HydrophobicContact CG-CB 3.98Å
205T92Very high91Very high73 Ų7352 Ų5245%0.44827%0.27SS..Hα-helixtrans-65.6-45.9178.7-59.90000111E201 D202 L203 S207 K208 Q209E201-T205 WeakPolarHBondContact O-CB 3.26Å; E201-T205 PolarHBondContact O-N 3.31Å; E201-T205 PolarHBondContact O-OG1 2.66Å; D202-T205 WeakPolarHBondContact O-CB 3.35Å; D202-T205 PolarHBondContact O-N 3.27Å; D202-T205 VanDerWaalsContact O-N 3.07Å; L203-T205 VanDerWaalsContact C-N 3.28Å; L203-T205 PolarHBondContact O-N 2.89Å; T205-S207 VanDerWaalsContact C-N 3.31Å; T205-S207 PolarHBondContact O-N 3.34Å; T205-K208 PolarHBondContact O-N 2.8Å; T205-Q209 VanDerWaalsContact O-CG 3.28Å; T205-Q209 WeakPolarHBondContact O-CG 3.31Å; T205-Q209 PolarHBondContact O-N 3.37Å; T205-Q209 VanDerWaalsContact O-N 3.07Å
206M93Very high90.7Very high21 Ų2148.7 Ų48.710%0.10326%0.255CS..Hα-helixtrans-60.1-41.8175.3-66.316774.700111.4D202 L203 Q209 G210 Q211 I212 A254 A258D202-M206 VanDerWaalsContact O-CG 3.25Å; D202-M206 WeakPolarHBondContact O-CG 3.44Å; D202-M206 PolarHBondContact O-N 2.84Å; L203-M206 HydrophobicContact CD2-SD 4.09Å; L203-M206 PolarHBondContact O-N 3.43Å; M206-Q209 CarbonylContact O-C 3.56Å; M206-Q209 PolarHBondContact O-N 3.21Å; M206-G210 PolarHBondContact O-N 3.4Å; M206-Q211 HydrophobicContact CB-CB 4.17Å; M206-Q211 WeakPolarHBondContact O-CB 3.44Å; M206-Q211 PolarHBondContact O-N 2.97Å; M206-I212 HydrophobicContact CB-CD1 3.91Å; M206-I212 HydrophobicContact CB-CG1 3.92Å; M206-I212 HydrophobicContact CB-CG2 4.5Å; M206-I212 HydrophobicContact CE-CG2 3.92Å; M206-A254 VanDerWaalsContact CE-C 3.47Å; M206-A254 HydrophobicContact CE-CB 3.38Å; M206-A254 WeakPolarHBondContact CE-O 3.32Å; M206-A258 HydrophobicContact SD-CB 4.07Å
207S89.3Confident90.4Very high17 Ų1748.7 Ų48.712%0.11925%0.254CS..Hα-helixtrans-64.5-46.4177.6178.80000112.1L203 R204 T205 Q209 G210 I212 E214L203-S207 WeakPolarHBondContact O-CB 3.34Å; L203-S207 PolarHBondContact O-N 2.98Å; R204-S207 PolarHBondContact O-N 3.3Å; T205-S207 VanDerWaalsContact C-N 3.31Å; T205-S207 PolarHBondContact O-N 3.34Å; S207-Q209 PolarHBondContact O-N 2.88Å; S207-G210 PolarHBondContact O-N 3.46Å; S207-I212 WeakPolarHBondContact CA-O 3.32Å; S207-E214 WeakPolarHBondContact OG-CA 3.22Å; S207-E214 WeakPolarHBondContact OG-CG 3.39Å
208K87Confident90.1Very high147 Ų14748.3 Ų48.364%0.63925%0.253SS*.Hα-helixtrans-60-28174.2-75.1-180177.6-176.50113R204 T205 G210R204-K208 WeakPolarHBondContact O-CG 3.45Å; R204-K208 PolarHBondContact O-N 3.12Å; T205-K208 PolarHBondContact O-N 2.8Å; K208-G210 VanDerWaalsContact C-N 3.3Å
209Q90.1Very high89.9Confident121 Ų12143.7 Ų43.757%0.56523%0.234SC*.THydrogen-bonded Turntrans-84.6-1175.5-68.5174.47.500113.4T205 M206 S207 Q211T205-Q209 VanDerWaalsContact O-CG 3.28Å; T205-Q209 WeakPolarHBondContact O-CG 3.31Å; T205-Q209 PolarHBondContact O-N 3.37Å; T205-Q209 VanDerWaalsContact O-N 3.07Å; M206-Q209 CarbonylContact O-C 3.56Å; M206-Q209 PolarHBondContact O-N 3.21Å; S207-Q209 PolarHBondContact O-N 2.88Å; Q209-Q211 VanDerWaalsContact C-N 3.27Å; Q209-Q211 HydrophobicContact CB-CG 4.09Å; Q209-Q211 PolarHBondContact O-N 3.41Å
210G87.5Confident89.6Confident66 Ų6650.9 Ų50.968%0.6826%0.261SS*.THydrogen-bonded Turntrans70.120.8-177.300000113.9M206 S207 K208M206-G210 PolarHBondContact O-N 3.4Å; S207-G210 PolarHBondContact O-N 3.46Å; K208-G210 VanDerWaalsContact C-N 3.3Å
211Q90.3Very high89.5Confident92 Ų9250.9 Ų50.943%0.4326%0.261SS..SBendtrans-83.4-27.8178.4-64.3179.3-5.500112.9M206 Q209M206-Q211 HydrophobicContact CB-CB 4.17Å; M206-Q211 WeakPolarHBondContact O-CB 3.44Å; M206-Q211 PolarHBondContact O-N 2.97Å; Q209-Q211 VanDerWaalsContact C-N 3.27Å; Q209-Q211 HydrophobicContact CB-CG 4.09Å; Q209-Q211 PolarHBondContact O-N 3.41Å
212I91.1Very high89.5Confident6 Ų647.3 Ų47.33%0.03124%0.244CC..SBendtrans-140.7157.5177.267.9178.2000110L203 M206 S207 A216 E251 A254 I255L203-I212 HydrophobicContact CB-CD1 4Å; L203-I212 HydrophobicContact CD2-CD1 3.82Å; L203-I212 HydrophobicContact CG-CD1 4.45Å; L203-I212 WeakPolarHBondContact O-CD1 3.42Å; M206-I212 HydrophobicContact CB-CD1 3.91Å; M206-I212 HydrophobicContact CB-CG1 3.92Å; M206-I212 HydrophobicContact CB-CG2 4.5Å; M206-I212 HydrophobicContact CE-CG2 3.92Å; S207-I212 WeakPolarHBondContact CA-O 3.32Å; I212-A216 HydrophobicContact CD1-CB 3.87Å; I212-A216 HydrophobicContact CG1-CB 4.41Å; I212-E251 HydrophobicContact CB-CB 4.46Å; I212-E251 HydrophobicContact CG2-CB 4.12Å; I212-E251 HydrophobicContact CG2-CG 4.47Å; I212-A254 HydrophobicContact CG2-CB 4.18Å; I212-I255 HydrophobicContact CD1-CD1 4.16Å; I212-I255 HydrophobicContact CD1-CG1 4.3Å; I212-I255 HydrophobicContact CG2-CD1 4.39Å; I212-I255 HydrophobicContact CG2-CG1 4.03Å
213S87.1Confident89.6Confident39 Ų3945.8 Ų45.827%0.27324%0.236SC..  trans-62.8150.7172.761.40000113.3E215 A216 L246 E251S213-E215 PolarHBondContact O-N 2.88Å; S213-A216 WeakPolarHBondContact O-CB 3.46Å; S213-A216 PolarHBondContact O-N 3.47Å; S213-L246 WeakPolarHBondContact OG-CD2 3.39Å; S213-E251 PolarHBondContact N-OE2 2.9Å; S213-E251 PolarHBondContact OG-OE2 2.92Å
214E83.6Confident89.6Confident57 Ų5749.1 Ų49.127%0.26625%0.254SS..G310 helixtrans-61.2-27.8177-69.8-170.7179.600113.1P32 E148 Y171 S207 A216 A217 S218P32-E214 WeakPolarHBondContact CA-OE2 2.99Å; P32-E214 WeakPolarHBondContact CB-OE2 3.41Å; E148-E214 VanDerWaalsContact O-OE2 3.14Å; Y171-E214 PolarHBondContact OH-O 3.3Å; S207-E214 WeakPolarHBondContact OG-CA 3.22Å; S207-E214 WeakPolarHBondContact OG-CG 3.39Å; E214-A216 PolarHBondContact O-N 2.98Å; E214-A217 PolarHBondContact O-N 3.39Å; E214-A217 VanDerWaalsContact O-N 3.13Å; E214-S218 PolarHBondContact O-N 3.25Å
215E84.7Confident89.9Confident96 Ų9648 Ų4845%0.44925%0.25SC..G310 helixtrans-60.8-35.8-179.9-173.7170177.800112.1S213 A217 S218S213-E215 PolarHBondContact O-N 2.88Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.33Å; E215-S218 WeakPolarHBondContact O-CB 3.38Å; E215-S218 PolarHBondContact O-N 2.93Å; E215-S218 PolarHBondContact O-OG 3.37Å
216A87.4Confident90.2Very high3 Ų344.5 Ų44.53%0.02523%0.228CC..G310 helixtrans-62.1-32.1177.700000113.2L203 I212 S213 E214 I242 L246 I255L203-A216 WeakPolarHBondContact CD1-O 3.46Å; I212-A216 HydrophobicContact CD1-CB 3.87Å; I212-A216 HydrophobicContact CG1-CB 4.41Å; S213-A216 WeakPolarHBondContact O-CB 3.46Å; S213-A216 PolarHBondContact O-N 3.47Å; E214-A216 PolarHBondContact O-N 2.98Å; A216-I242 HydrophobicContact CB-CG2 3.84Å; A216-L246 HydrophobicContact CB-CD1 4.45Å; A216-L246 HydrophobicContact CB-CD2 4.31Å; A216-I255 HydrophobicContact CB-CD1 3.84Å
217A88.1Confident90.4Very high0 Ų046.1 Ų46.10%024%0.237CC..G310 helixtrans-97.79.7-178.600000113.1N200 L203 R204 E214 E215N200-A217 PolarHBondContact OD1-O 3.03Å; L203-A217 HydrophobicContact CB-CB 3.98Å; R204-A217 HydrophobicContact CG-CB 3.98Å; E214-A217 PolarHBondContact O-N 3.39Å; E214-A217 VanDerWaalsContact O-N 3.13Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.33Å
218S89.3Confident90.7Very high5 Ų547.8 Ų47.84%0.03525%0.245CC..  trans-73.8143.4-175.871.40000112.2T33 E214 E215 R220 A221 L222T33-S218 WeakPolarHBondContact O-CB 3.37Å; E214-S218 PolarHBondContact O-N 3.25Å; E215-S218 WeakPolarHBondContact O-CB 3.38Å; E215-S218 PolarHBondContact O-N 2.93Å; E215-S218 PolarHBondContact O-OG 3.37Å; S218-R220 PolarHBondContact O-N 2.65Å; S218-R220 VanDerWaalsContact O-N 3.14Å; S218-A221 PolarHBondContact O-N 3.4Å; S218-A221 VanDerWaalsContact O-N 3.12Å; S218-A221 PolarHBondContact OG-N 2.96Å; S218-L222 PolarHBondContact O-N 3.36Å; S218-L222 VanDerWaalsContact O-N 3.08Å
219I89.4Confident91.2Very high14 Ų1441.6 Ų41.67%0.07222%0.218CC..Hα-helixtrans-58.5-29.9174.9-56.7-53.3000111.5Y171 I172 L177 L222 L223Y171-I219 HydrophobicContact CD1-CD1 4.32Å; Y171-I219 HydrophobicContact CD1-CG1 3.88Å; Y171-I219 HydrophobicContact CE1-CG1 4.47Å; I172-I219 HydrophobicContact CG1-CD1 4.07Å; I172-I219 HydrophobicContact CG1-CG1 4.16Å; L177-I219 HydrophobicContact CD1-CD1 3.76Å; L177-I219 HydrophobicContact CD1-CG2 4.32Å; L177-I219 HydrophobicContact CD2-CD1 4.25Å; I219-L222 WeakPolarHBondContact O-CB 3.41Å; I219-L222 PolarHBondContact O-N 3.19Å; I219-L223 HydrophobicContact CG2-CD1 4.22Å; I219-L223 HydrophobicContact CG2-CG 4.28Å; I219-L223 VanDerWaalsContact O-CG 3.32Å; I219-L223 WeakPolarHBondContact O-CG 3.31Å; I219-L223 PolarHBondContact O-N 2.81Å
220R89Confident91.4Very high151 Ų15138.9 Ų38.957%0.5721%0.21SC*.Hα-helixtrans-62.9-49.9176.1-172179.8-65.4132.1-3.6111.6S218 L222 L223 D224S218-R220 PolarHBondContact O-N 2.65Å; S218-R220 VanDerWaalsContact O-N 3.14Å; R220-L222 PolarHBondContact O-N 3.13Å; R220-L223 PolarHBondContact O-N 2.83Å; R220-D224 PolarHBondContact O-N 2.98Å; R220-D224 VanDerWaalsContact O-N 3.14Å
221A91.4Very high91.9Very high2 Ų240.7 Ų40.72%0.01721%0.208CC..Hα-helixtrans-62.5-35.4176.500000111.7S218 D224 L225 I242S218-A221 PolarHBondContact O-N 3.4Å; S218-A221 VanDerWaalsContact O-N 3.12Å; S218-A221 PolarHBondContact OG-N 2.96Å; A221-D224 PolarHBondContact O-N 3.24Å; A221-L225 WeakPolarHBondContact O-CB 3.35Å; A221-L225 PolarHBondContact O-N 2.8Å; A221-I242 HydrophobicContact CB-CG1 4.25Å
222L93.3Very high92.2Very high2 Ų238.4 Ų38.41%0.0120%0.198CC..Hα-helixtrans-64.9-41.5176.1-163.469.2000113L177 I181 I196 N200 S218 I219 R220 L225 C226L177-L222 HydrophobicContact CD1-CD2 3.94Å; L177-L222 HydrophobicContact CD2-CD2 3.78Å; L177-L222 HydrophobicContact CG-CD2 4.2Å; I181-L222 HydrophobicContact CD1-CD2 3.97Å; I196-L222 HydrophobicContact CG2-CD1 3.31Å; I196-L222 HydrophobicContact CG2-CG 3.96Å; N200-L222 HydrophobicContact CB-CD1 3.72Å; N200-L222 HydrophobicContact CB-CD2 4.01Å; N200-L222 HydrophobicContact CB-CG 4.5Å; S218-L222 PolarHBondContact O-N 3.36Å; S218-L222 VanDerWaalsContact O-N 3.08Å; I219-L222 WeakPolarHBondContact O-CB 3.41Å; I219-L222 PolarHBondContact O-N 3.19Å; R220-L222 PolarHBondContact O-N 3.13Å; L222-L225 HydrophobicContact CD1-CD2 4.32Å; L222-L225 WeakPolarHBondContact O-CB 3.43Å; L222-L225 PolarHBondContact O-N 3.14Å; L222-C226 PolarHBondContact O-N 2.8Å; L222-C226 PolarHBondContact O-SG 3.14Å
223L93.6Very high92.4Very high25 Ų2541.6 Ų41.613%0.13122%0.219CC..Hα-helixtrans-65.8-43.1177-70.5173.7000111.4I181 Q184 I219 R220 L225 C226 D227I181-L223 HydrophobicContact CG1-CD2 4.36Å; Q184-L223 HydrophobicContact CB-CD1 4.1Å; Q184-L223 HydrophobicContact CB-CD2 3.87Å; I219-L223 HydrophobicContact CG2-CD1 4.22Å; I219-L223 HydrophobicContact CG2-CG 4.28Å; I219-L223 VanDerWaalsContact O-CG 3.32Å; I219-L223 WeakPolarHBondContact O-CG 3.31Å; I219-L223 PolarHBondContact O-N 2.81Å; R220-L223 PolarHBondContact O-N 2.83Å; L223-L225 VanDerWaalsContact C-N 3.26Å; L223-L225 PolarHBondContact O-N 2.6Å; L223-C226 PolarHBondContact O-N 2.79Å; L223-D227 PolarHBondContact O-N 3.17Å
224D94.9Very high92.8Very high71 Ų7141 Ų4138%0.3821%0.213SC..Hα-helixtrans-59.1-39.7173.2-67.2-24.6000111.2R220 A221 D227 L228 T241 K245R220-D224 PolarHBondContact O-N 2.98Å; R220-D224 VanDerWaalsContact O-N 3.14Å; A221-D224 PolarHBondContact O-N 3.24Å; D224-D227 PolarHBondContact O-N 3.46Å; D224-L228 WeakPolarHBondContact O-CB 3.4Å; D224-L228 PolarHBondContact O-N 3.28Å; D224-T241 HydrophobicContact CB-CG2 3.93Å; D224-K245 IonicContact OD2-NZ 3.21Å
225L96.5Very high93.4Very high0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-62.5-47.9175.7173.360.5000111.5I196 F199 A221 L222 L223 D227 L228 I229 A237 I238 T241 I242I196-L225 HydrophobicContact CG2-CD2 4.31Å; F199-L225 HydrophobicContact CD1-CD2 4.42Å; F199-L225 HydrophobicContact CE1-CD2 4.33Å; A221-L225 WeakPolarHBondContact O-CB 3.35Å; A221-L225 PolarHBondContact O-N 2.8Å; L222-L225 HydrophobicContact CD1-CD2 4.32Å; L222-L225 WeakPolarHBondContact O-CB 3.43Å; L222-L225 PolarHBondContact O-N 3.14Å; L223-L225 VanDerWaalsContact C-N 3.26Å; L223-L225 PolarHBondContact O-N 2.6Å; L225-D227 VanDerWaalsContact C-N 3.3Å; L225-D227 PolarHBondContact O-N 3.32Å; L225-L228 PolarHBondContact O-N 3.27Å; L225-I229 HydrophobicContact CD1-CD1 3.67Å; L225-I229 HydrophobicContact CD1-CG1 3.9Å; L225-I229 HydrophobicContact CG-CD1 3.79Å; L225-I229 HydrophobicContact CG-CG1 4.43Å; L225-I229 VanDerWaalsContact O-CG1 3.31Å; L225-I229 WeakPolarHBondContact O-CG1 3.34Å; L225-I229 PolarHBondContact O-N 2.91Å; L225-A237 HydrophobicContact CD1-CB 3.62Å; L225-I238 HydrophobicContact CD1-CB 4.36Å; L225-I238 HydrophobicContact CD1-CG1 3.53Å; L225-I238 HydrophobicContact CD2-CG1 3.83Å; L225-I238 HydrophobicContact CG-CG1 4.35Å; L225-T241 HydrophobicContact CB-CG2 4.4Å; L225-I242 HydrophobicContact CD2-CD1 4.22Å
226C96.8Very high94Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-58-42.9178.2-70.50000111.9I181 S185 L187 L222 L223I181-C226 HydrophobicContact CG2-CB 4.14Å; I181-C226 VanDerWaalsContact CG2-SG 3.52Å; S185-C226 WeakPolarHBondContact OG-CB 3.46Å; L187-C226 HydrophobicContact CB-CB 3.93Å; L187-C226 HydrophobicContact CD2-CB 4.05Å; L222-C226 PolarHBondContact O-N 2.8Å; L222-C226 PolarHBondContact O-SG 3.14Å; L223-C226 PolarHBondContact O-N 2.79Å
227D97.1Very high94.4Very high55 Ų5544.8 Ų44.829%0.29423%0.225SC..Hα-helixtrans-64.4-45.3176.3-76.8-15.7000111.9S185 L186 L223 D224 L225 I229 T230S185-D227 VanDerWaalsContact CA-OD1 3.22Å; S185-D227 WeakPolarHBondContact CA-OD1 3.19Å; S185-D227 VanDerWaalsContact CB-OD1 3.28Å; S185-D227 WeakPolarHBondContact CB-OD1 3.22Å; L186-D227 PolarHBondContact N-OD1 3.03Å; L223-D227 PolarHBondContact O-N 3.17Å; D224-D227 PolarHBondContact O-N 3.46Å; L225-D227 VanDerWaalsContact C-N 3.3Å; L225-D227 PolarHBondContact O-N 3.32Å; D227-I229 PolarHBondContact O-N 2.97Å; D227-T230 WeakPolarHBondContact O-CB 3.36Å; D227-T230 PolarHBondContact O-N 2.87Å; D227-T230 PolarHBondContact O-OG1 2.89Å
228L97Very high94.9Very high52 Ų5244.8 Ų44.827%0.27223%0.225SC..Hα-helixtrans-68.9-33-177.1-80.4163.7000113.4D224 L225 T230 V231 M232 A237 T241D224-L228 WeakPolarHBondContact O-CB 3.4Å; D224-L228 PolarHBondContact O-N 3.28Å; L225-L228 PolarHBondContact O-N 3.27Å; L228-T230 PolarHBondContact O-N 3.38Å; L228-T230 VanDerWaalsContact O-N 3.14Å; L228-V231 HydrophobicContact CD2-CG2 4.36Å; L228-V231 VanDerWaalsContact O-CG2 3.29Å; L228-V231 WeakPolarHBondContact O-CG2 3.24Å; L228-V231 PolarHBondContact O-N 3.06Å; L228-M232 HydrophobicContact CB-CG 4.49Å; L228-M232 HydrophobicContact CD2-CE 3.43Å; L228-M232 VanDerWaalsContact CD2-CE 3.43Å; L228-M232 HydrophobicContact CD2-SD 4.21Å; L228-M232 WeakPolarHBondContact O-CG 3.46Å; L228-M232 PolarHBondContact O-N 3.22Å; L228-A237 HydrophobicContact CB-CB 3.84Å; L228-T241 HydrophobicContact CD1-CG2 3.23Å; L228-T241 HydrophobicContact CG-CG2 4.46Å
229I96.4Very high95.2Very high16 Ų1647.6 Ų47.68%0.08224%0.237CC..Hα-helixtrans-59.1-25.9175.9-74.3170.7000112L187 I196 L225 D227 V231 V234 A237L187-I229 HydrophobicContact CD1-CG2 4.36Å; I196-I229 HydrophobicContact CD1-CD1 3.41Å; I196-I229 VanDerWaalsContact CD1-CD1 3.41Å; I196-I229 HydrophobicContact CG1-CD1 3.92Å; L225-I229 HydrophobicContact CD1-CD1 3.67Å; L225-I229 HydrophobicContact CD1-CG1 3.9Å; L225-I229 HydrophobicContact CG-CD1 3.79Å; L225-I229 HydrophobicContact CG-CG1 4.43Å; L225-I229 VanDerWaalsContact O-CG1 3.31Å; L225-I229 WeakPolarHBondContact O-CG1 3.34Å; L225-I229 PolarHBondContact O-N 2.91Å; D227-I229 PolarHBondContact O-N 2.97Å; I229-V231 PolarHBondContact O-N 2.78Å; I229-V234 HydrophobicContact CD1-CG1 4.04Å; I229-V234 HydrophobicContact CD1-CG2 4.14Å; I229-V234 HydrophobicContact CG1-CB 4.46Å; I229-V234 HydrophobicContact CG1-CG1 4.46Å; I229-V234 HydrophobicContact CG1-CG2 4.09Å; I229-V234 HydrophobicContact CG2-CG2 4.08Å; I229-A237 HydrophobicContact CG1-CB 3.83Å
230T95.8Very high95.5Very high64 Ų6453.9 Ų53.939%0.39326%0.259SS..THydrogen-bonded Turntrans-68.2-18.417771.80000113.6L186 L187 D227 L228L186-T230 HydrophobicContact CB-CG2 3.98Å; L187-T230 HydrophobicContact CB-CG2 4.43Å; L187-T230 HydrophobicContact CD1-CG2 4.27Å; D227-T230 WeakPolarHBondContact O-CB 3.36Å; D227-T230 PolarHBondContact O-N 2.87Å; D227-T230 PolarHBondContact O-OG1 2.89Å; L228-T230 PolarHBondContact O-N 3.38Å; L228-T230 VanDerWaalsContact O-N 3.14Å
231V96.5Very high95.8Very high105 Ų10547 Ų4764%0.63623%0.234SC*.THydrogen-bonded Turntrans-127.2-4.9-173.6-63.80000114.2L228 I229L228-V231 HydrophobicContact CD2-CG2 4.36Å; L228-V231 VanDerWaalsContact O-CG2 3.29Å; L228-V231 WeakPolarHBondContact O-CG2 3.24Å; L228-V231 PolarHBondContact O-N 3.06Å; I229-V231 PolarHBondContact O-N 2.78Å
232M96.8Very high96Very high44 Ų4447 Ų4722%0.21723%0.233CC..SBendtrans-153.1162.8177.768.9-178.368.500113.8L228 R236 A237L228-M232 HydrophobicContact CB-CG 4.49Å; L228-M232 HydrophobicContact CD2-CE 3.43Å; L228-M232 VanDerWaalsContact CD2-CE 3.43Å; L228-M232 HydrophobicContact CD2-SD 4.21Å; L228-M232 WeakPolarHBondContact O-CG 3.46Å; L228-M232 PolarHBondContact O-N 3.22Å; M232-R236 VanDerWaalsContact CB-NH2 3.25Å; M232-R236 HydrophobicContact SD-CB 4.36Å; M232-R236 HydrophobicContact SD-CG 4.04Å; M232-A237 HydrophobicContact CG-CB 3.94Å; M232-A237 HydrophobicContact SD-CB 4.38Å
233P96.3Very high96.1Very high73 Ų7346.9 Ų46.947%0.47423%0.233SC..  trans-54.9144.7175.2-26.435.9000112.6E235 R236 A237P233-E235 VanDerWaalsContact C-N 3.33Å; P233-E235 PolarHBondContact O-N 3.28Å; P233-R236 WeakPolarHBondContact O-CB 3.23Å; P233-R236 PolarHBondContact O-N 3.29Å; P233-R236 VanDerWaalsContact O-N 3.09Å; P233-A237 PolarHBondContact O-N 2.68Å
234V95.4Very high96.2Very high26 Ų2648.7 Ų48.716%0.15824%0.243CC..Hα-helixtrans-57.7-45.2-172.9176.30000111.5I229 R236 A237 I238 F263I229-V234 HydrophobicContact CD1-CG1 4.04Å; I229-V234 HydrophobicContact CD1-CG2 4.14Å; I229-V234 HydrophobicContact CG1-CB 4.46Å; I229-V234 HydrophobicContact CG1-CG1 4.46Å; I229-V234 HydrophobicContact CG1-CG2 4.09Å; I229-V234 HydrophobicContact CG2-CG2 4.08Å; V234-R236 VanDerWaalsContact C-N 3.26Å; V234-R236 PolarHBondContact O-N 3.48Å; V234-A237 WeakPolarHBondContact O-CB 3.49Å; V234-A237 PolarHBondContact O-N 3.47Å; V234-A237 VanDerWaalsContact O-N 3.08Å; V234-I238 HydrophobicContact CG1-CD1 3.74Å; V234-I238 HydrophobicContact CG1-CG1 4.25Å; V234-I238 WeakPolarHBondContact O-CG1 3.45Å; V234-I238 PolarHBondContact O-N 2.9Å; V234-F263 HydrophobicContact CG1-CD1 3.74Å; V234-F263 HydrophobicContact CG1-CD2 4.07Å; V234-F263 HydrophobicContact CG1-CE1 3.72Å; V234-F263 HydrophobicContact CG1-CE2 4.06Å; V234-F263 HydrophobicContact CG1-CG 3.91Å; V234-F263 HydrophobicContact CG1-CZ 3.88Å
235E95.5Very high96Very high104 Ų10449.4 Ų49.449%0.48624%0.243SC..Hα-helixtrans-61.9-38.7-178.9-52.680.3179.900110.8P233 K239 V259P233-E235 VanDerWaalsContact C-N 3.33Å; P233-E235 PolarHBondContact O-N 3.28Å; E235-K239 WeakPolarHBondContact O-CB 3.25Å; E235-K239 PolarHBondContact O-N 3.17Å; E235-V259 HydrophobicContact CG-CG1 4.27Å
236R97.1Very high95.7Very high131 Ų13150 Ų5049%0.49425%0.245SC..Hα-helixtrans-71.5-37.9176.5-168.1171.173.1-179.71.1111.4M232 P233 V234 K239 R240M232-R236 VanDerWaalsContact CB-NH2 3.25Å; M232-R236 HydrophobicContact SD-CB 4.36Å; M232-R236 HydrophobicContact SD-CG 4.04Å; P233-R236 WeakPolarHBondContact O-CB 3.23Å; P233-R236 PolarHBondContact O-N 3.29Å; P233-R236 VanDerWaalsContact O-N 3.09Å; V234-R236 VanDerWaalsContact C-N 3.26Å; V234-R236 PolarHBondContact O-N 3.48Å; R236-K239 PolarHBondContact O-N 3.14Å; R236-R240 WeakPolarHBondContact O-CG 3.31Å; R236-R240 PolarHBondContact O-N 3.23Å
237A97.4Very high95.4Very high0 Ų058.7 Ų58.70%029%0.286CS..Hα-helixtrans-64.6-46.3176.100000111.1L225 L228 I229 M232 P233 V234 K239 R240 T241L225-A237 HydrophobicContact CD1-CB 3.62Å; L228-A237 HydrophobicContact CB-CB 3.84Å; I229-A237 HydrophobicContact CG1-CB 3.83Å; M232-A237 HydrophobicContact CG-CB 3.94Å; M232-A237 HydrophobicContact SD-CB 4.38Å; P233-A237 PolarHBondContact O-N 2.68Å; V234-A237 WeakPolarHBondContact O-CB 3.49Å; V234-A237 PolarHBondContact O-N 3.47Å; V234-A237 VanDerWaalsContact O-N 3.08Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.4Å; A237-R240 PolarHBondContact O-N 2.93Å; A237-T241 WeakPolarHBondContact O-CB 3.38Å; A237-T241 WeakPolarHBondContact O-CG2 3.26Å; A237-T241 PolarHBondContact O-N 3.1Å; A237-T241 PolarHBondContact O-OG1 2.89Å
238I96.8Very high95.2Very high0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-61.3-44.1176.4-65.5173.5000110.6F199 L225 V234 R240 T241 I242 I243 I255 V259 F263F199-I238 HydrophobicContact CD1-CD1 4.36Å; F199-I238 HydrophobicContact CE1-CD1 3.94Å; F199-I238 HydrophobicContact CE1-CG1 4.25Å; F199-I238 HydrophobicContact CE1-CG2 4.2Å; F199-I238 HydrophobicContact CZ-CD1 4.05Å; F199-I238 HydrophobicContact CZ-CG2 3.87Å; L225-I238 HydrophobicContact CD1-CB 4.36Å; L225-I238 HydrophobicContact CD1-CG1 3.53Å; L225-I238 HydrophobicContact CD2-CG1 3.83Å; L225-I238 HydrophobicContact CG-CG1 4.35Å; V234-I238 HydrophobicContact CG1-CD1 3.74Å; V234-I238 HydrophobicContact CG1-CG1 4.25Å; V234-I238 WeakPolarHBondContact O-CG1 3.45Å; V234-I238 PolarHBondContact O-N 2.9Å; I238-R240 VanDerWaalsContact C-N 3.26Å; I238-R240 PolarHBondContact O-N 3.17Å; I238-T241 PolarHBondContact O-N 3.15Å; I238-I242 HydrophobicContact CG2-CD1 4.47Å; I238-I242 PolarHBondContact O-N 3.35Å; I238-I243 HydrophobicContact CG2-CD1 4.16Å; I238-I243 HydrophobicContact CG2-CG1 4.2Å; I238-I243 PolarHBondContact O-N 3.01Å; I238-I255 HydrophobicContact CG2-CG2 4.3Å; I238-V259 HydrophobicContact CB-CG2 4.35Å; I238-V259 HydrophobicContact CD1-CG1 4.31Å; I238-V259 HydrophobicContact CD1-CG2 3.78Å; I238-V259 HydrophobicContact CG2-CG2 3.67Å; I238-F263 HydrophobicContact CD1-CD2 3.89Å; I238-F263 HydrophobicContact CD1-CE2 3.47Å; I238-F263 VanDerWaalsContact CD1-CE2 3.47Å; I238-F263 HydrophobicContact CD1-CZ 4.21Å
239K96.5Very high95.1Very high65 Ų6563.5 Ų63.528%0.28331%0.307SS..Hα-helixtrans-54.2-44.5176.1-172.6-178.8-171.8-58.40111.7E235 R236 A237 I243 D244 Y256E235-K239 WeakPolarHBondContact O-CB 3.25Å; E235-K239 PolarHBondContact O-N 3.17Å; R236-K239 PolarHBondContact O-N 3.14Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.4Å; K239-I243 PolarHBondContact O-N 2.84Å; K239-D244 VanDerWaalsContact NZ-CG 3.28Å; K239-D244 IonicContact NZ-OD1 2.73Å; K239-D244 PolarHBondContact NZ-OD1 3.31Å; K239-D244 IonicContact NZ-OD2 2.67Å; K239-D244 PolarHBondContact NZ-OD2 3.28Å; K239-D244 VanDerWaalsContact O-CB 3.25Å; K239-D244 WeakPolarHBondContact O-CB 3.31Å; K239-D244 PolarHBondContact O-N 3.32Å; K239-Y256 WeakPolarHBondContact CE-OH 3.23Å
240R96.4Very high95Very high146 Ų14671.8 Ų71.855%0.55134%0.337SS*.Hα-helixtrans-78.5-31.9-176.3-65.3-60.8176-158.9-2.4114.5R236 A237 I238 D244R236-R240 WeakPolarHBondContact O-CG 3.31Å; R236-R240 PolarHBondContact O-N 3.23Å; A237-R240 PolarHBondContact O-N 2.93Å; I238-R240 VanDerWaalsContact C-N 3.26Å; I238-R240 PolarHBondContact O-N 3.17Å; R240-D244 IonicContact CZ-OD2 2.63Å; R240-D244 IonicContact NE-OD2 3.36Å; R240-D244 IonicContact NH1-OD2 2.81Å; R240-D244 PolarHBondContact NH1-OD2 3.03Å
241T95.1Very high94.9Very high5 Ų570.8 Ų70.83%0.03133%0.328CS..Hα-helixtrans-92.3-26.7-172.248.10000113.5D224 L225 L228 A237 I238 K245D224-T241 HydrophobicContact CB-CG2 3.93Å; L225-T241 HydrophobicContact CB-CG2 4.4Å; L228-T241 HydrophobicContact CD1-CG2 3.23Å; L228-T241 HydrophobicContact CG-CG2 4.46Å; A237-T241 WeakPolarHBondContact O-CB 3.38Å; A237-T241 WeakPolarHBondContact O-CG2 3.26Å; A237-T241 PolarHBondContact O-N 3.1Å; A237-T241 PolarHBondContact O-OG1 2.89Å; I238-T241 PolarHBondContact O-N 3.15Å; T241-K245 VanDerWaalsContact O-CD 3.25Å; T241-K245 WeakPolarHBondContact O-CD 3.33Å; T241-K245 WeakPolarHBondContact O-CE 3.44Å; T241-K245 PolarHBondContact O-NZ 3.22Å
242I95.2Very high94.9Very high2 Ų268.1 Ų68.11%0.0131%0.309CS..THydrogen-bonded Turntrans-127.1-62.8-171.3-58.7174.3000110.1F199 L203 A216 A221 L225 I238 D244 K245 I255F199-I242 HydrophobicContact CE1-CD1 3.88Å; L203-I242 HydrophobicContact CD1-CD1 3.88Å; L203-I242 HydrophobicContact CD1-CG2 4.4Å; A216-I242 HydrophobicContact CB-CG2 3.84Å; A221-I242 HydrophobicContact CB-CG1 4.25Å; L225-I242 HydrophobicContact CD2-CD1 4.22Å; I238-I242 HydrophobicContact CG2-CD1 4.47Å; I238-I242 PolarHBondContact O-N 3.35Å; I242-D244 PolarHBondContact O-N 3.28Å; I242-K245 WeakPolarHBondContact O-CB 3.47Å; I242-K245 PolarHBondContact O-N 3.34Å; I242-I255 HydrophobicContact CG2-CD1 3.47Å; I242-I255 VanDerWaalsContact CG2-CD1 3.47Å; I242-I255 HydrophobicContact CG2-CG2 4.34Å
243I95.4Very high94.8Very high1 Ų170.9 Ų70.91%0.00532%0.321CS..G310 helixtrans-64.3-49.3-168.3-56.4179.2000112.2I238 K239 K245 L246 Q252 I255 Y256I238-I243 HydrophobicContact CG2-CD1 4.16Å; I238-I243 HydrophobicContact CG2-CG1 4.2Å; I238-I243 PolarHBondContact O-N 3.01Å; K239-I243 PolarHBondContact O-N 2.84Å; I243-K245 PolarHBondContact O-N 2.96Å; I243-K245 VanDerWaalsContact O-N 3.08Å; I243-L246 WeakPolarHBondContact O-CB 3.45Å; I243-L246 PolarHBondContact O-N 2.97Å; I243-Q252 HydrophobicContact CG2-CB 3.76Å; I243-Q252 HydrophobicContact CG2-CG 3.77Å; I243-I255 HydrophobicContact CD1-CG2 3.97Å; I243-I255 HydrophobicContact CG1-CB 4.13Å; I243-I255 HydrophobicContact CG1-CG2 3.62Å; I243-Y256 HydrophobicContact CD1-CD1 3.64Å; I243-Y256 HydrophobicContact CD1-CD2 4.2Å; I243-Y256 HydrophobicContact CD1-CE1 3.46Å; I243-Y256 VanDerWaalsContact CD1-CE1 3.46Å; I243-Y256 HydrophobicContact CD1-CE2 4.05Å; I243-Y256 HydrophobicContact CD1-CG 4Å; I243-Y256 HydrophobicContact CG2-CD2 4.39Å; I243-Y256 HydrophobicContact CG2-CE2 3.73Å
244D94.9Very high94.8Very high62 Ų6268.5 Ų68.533%0.33231%0.307SS..G310 helixtrans-68.4-7.6-177.1-72.7-12.3000113K239 R240 I242K239-D244 VanDerWaalsContact NZ-CG 3.28Å; K239-D244 IonicContact NZ-OD1 2.73Å; K239-D244 PolarHBondContact NZ-OD1 3.31Å; K239-D244 IonicContact NZ-OD2 2.67Å; K239-D244 PolarHBondContact NZ-OD2 3.28Å; K239-D244 VanDerWaalsContact O-CB 3.25Å; K239-D244 WeakPolarHBondContact O-CB 3.31Å; K239-D244 PolarHBondContact O-N 3.32Å; R240-D244 IonicContact CZ-OD2 2.63Å; R240-D244 IonicContact NE-OD2 3.36Å; R240-D244 IonicContact NH1-OD2 2.81Å; R240-D244 PolarHBondContact NH1-OD2 3.03Å; I242-D244 PolarHBondContact O-N 3.28Å
245K90.8Very high94.8Very high87 Ų8767.2 Ų67.238%0.37830%0.3SS..G310 helixtrans-86-15.4172.5-65.9-177.4-179.7162.10112.8D224 T241 I242 I243D224-K245 IonicContact OD2-NZ 3.21Å; T241-K245 VanDerWaalsContact O-CD 3.25Å; T241-K245 WeakPolarHBondContact O-CD 3.33Å; T241-K245 WeakPolarHBondContact O-CE 3.44Å; T241-K245 PolarHBondContact O-NZ 3.22Å; I242-K245 WeakPolarHBondContact O-CB 3.47Å; I242-K245 PolarHBondContact O-N 3.34Å; I243-K245 PolarHBondContact O-N 2.96Å; I243-K245 VanDerWaalsContact O-N 3.08Å
246L91.6Very high94.8Very high11 Ų1166.1 Ų66.16%0.05829%0.292CS..  trans-89.3135.3-177-57.9177.7000110S213 A216 I243 E251 Q252 I255S213-L246 WeakPolarHBondContact OG-CD2 3.39Å; A216-L246 HydrophobicContact CB-CD1 4.45Å; A216-L246 HydrophobicContact CB-CD2 4.31Å; I243-L246 WeakPolarHBondContact O-CB 3.45Å; I243-L246 PolarHBondContact O-N 2.97Å; L246-E251 HydrophobicContact CD1-CB 3.93Å; L246-Q252 HydrophobicContact CB-CG 3.93Å; L246-Q252 PolarHBondContact O-NE2 2.83Å; L246-I255 HydrophobicContact CD1-CD1 3.38Å; L246-I255 HydrophobicContact CD1-CG1 4.34Å
247E89.8Confident94.6Very high184 Ų18463.5 Ų63.586%0.8629%0.288SS*.  trans-88.3-25.7178.2-63.1-67.1162.600112.3
248D92.6Very high94.5Very high48 Ų4863.8 Ų63.826%0.25729%0.29SS..  trans-88.5116.3-178.5-171.3-31.8000110.9R250 E251 Q252D248-R250 PolarHBondContact O-N 2.92Å; D248-R250 VanDerWaalsContact O-N 3.16Å; D248-R250 WeakPolarHBondContact OD1-CA 3.33Å; D248-R250 WeakPolarHBondContact OD1-CB 3.23Å; D248-R250 WeakPolarHBondContact OD1-CG 3.44Å; D248-R250 PolarHBondContact OD1-N 3.1Å; D248-R250 IonicContact OD1-NE 3.13Å; D248-R250 PolarHBondContact OD1-NE 2.81Å; D248-R250 VanDerWaalsContact OD1-NE 3.13Å; D248-R250 IonicContact OD1-NH2 3.97Å; D248-R250 IonicContact OD2-CZ 3.41Å; D248-R250 IonicContact OD2-NE 3.29Å; D248-R250 PolarHBondContact OD2-NE 3.23Å; D248-R250 IonicContact OD2-NH2 2.7Å; D248-R250 PolarHBondContact OD2-NH2 2.93Å; D248-E251 HydrophobicContact CB-CB 4.25Å; D248-E251 HydrophobicContact CB-CG 3.82Å; D248-E251 WeakPolarHBondContact O-CB 3.33Å; D248-E251 PolarHBondContact O-N 2.94Å; D248-Q252 PolarHBondContact O-N 2.87Å
249E94Very high94.4Very high159 Ų15964.4 Ų64.474%0.74329%0.294SS*.Hα-helixtrans-56.4-29.3178-66.1-175.1165.500113.2Q252 Q253E249-Q252 PolarHBondContact O-N 3.01Å; E249-Q253 WeakPolarHBondContact O-CB 3.02Å; E249-Q253 PolarHBondContact O-N 3.34Å
250R94.2Very high94.2Very high190 Ų19068.5 Ų68.572%0.71731%0.314SS*.Hα-helixtrans-71.8-39.4177.3-56.9172.1-66.11702.7110.9D248 Q253 A254D248-R250 PolarHBondContact O-N 2.92Å; D248-R250 VanDerWaalsContact O-N 3.16Å; D248-R250 WeakPolarHBondContact OD1-CA 3.33Å; D248-R250 WeakPolarHBondContact OD1-CB 3.23Å; D248-R250 WeakPolarHBondContact OD1-CG 3.44Å; D248-R250 PolarHBondContact OD1-N 3.1Å; D248-R250 IonicContact OD1-NE 3.13Å; D248-R250 PolarHBondContact OD1-NE 2.81Å; D248-R250 VanDerWaalsContact OD1-NE 3.13Å; D248-R250 IonicContact OD1-NH2 3.97Å; D248-R250 IonicContact OD2-CZ 3.41Å; D248-R250 IonicContact OD2-NE 3.29Å; D248-R250 PolarHBondContact OD2-NE 3.23Å; D248-R250 IonicContact OD2-NH2 2.7Å; D248-R250 PolarHBondContact OD2-NH2 2.93Å; R250-Q253 PolarHBondContact O-N 3.29Å; R250-A254 WeakPolarHBondContact O-CB 3.13Å; R250-A254 PolarHBondContact O-N 2.88Å
251E94.7Very high94Very high43 Ų4368.1 Ų68.120%0.20132%0.322CS..Hα-helixtrans-64.3-45.4173.5-62-170.1-165.900110I212 S213 L246 D248 Q253 A254 I255I212-E251 HydrophobicContact CB-CB 4.46Å; I212-E251 HydrophobicContact CG2-CB 4.12Å; I212-E251 HydrophobicContact CG2-CG 4.47Å; S213-E251 PolarHBondContact N-OE2 2.9Å; S213-E251 PolarHBondContact OG-OE2 2.92Å; L246-E251 HydrophobicContact CD1-CB 3.93Å; D248-E251 HydrophobicContact CB-CB 4.25Å; D248-E251 HydrophobicContact CB-CG 3.82Å; D248-E251 WeakPolarHBondContact O-CB 3.33Å; D248-E251 PolarHBondContact O-N 2.94Å; E251-Q253 PolarHBondContact O-N 2.83Å; E251-A254 WeakPolarHBondContact O-CB 2.98Å; E251-A254 PolarHBondContact O-N 3.19Å; E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.8Å; E251-I255 VanDerWaalsContact O-N 3.07Å
252Q96.1Very high93.8Very high50 Ų5068.6 Ų68.623%0.23432%0.324CS..Hα-helixtrans-56.4-48.3175.6-67.1-177.68.800111.9I243 L246 D248 E249 A254 I255 Y256I243-Q252 HydrophobicContact CG2-CB 3.76Å; I243-Q252 HydrophobicContact CG2-CG 3.77Å; L246-Q252 HydrophobicContact CB-CG 3.93Å; L246-Q252 PolarHBondContact O-NE2 2.83Å; D248-Q252 PolarHBondContact O-N 2.87Å; E249-Q252 PolarHBondContact O-N 3.01Å; Q252-A254 VanDerWaalsContact C-N 3.32Å; Q252-A254 PolarHBondContact O-N 3.37Å; Q252-I255 PolarHBondContact O-N 3.11Å; Q252-Y256 VanDerWaalsContact O-CD2 3.26Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.46Å; Q252-Y256 PolarHBondContact O-N 2.75Å
253Q95.7Very high93.6Very high102 Ų10272.5 Ų72.548%0.47734%0.342SS..Hα-helixtrans-64.6-37.2179.4-172.259.854.600112.2E249 R250 E251 I255 Y256 N257E249-Q253 WeakPolarHBondContact O-CB 3.02Å; E249-Q253 PolarHBondContact O-N 3.34Å; R250-Q253 PolarHBondContact O-N 3.29Å; E251-Q253 PolarHBondContact O-N 2.83Å; Q253-I255 VanDerWaalsContact C-N 3.28Å; Q253-I255 PolarHBondContact O-N 3.37Å; Q253-Y256 PolarHBondContact O-N 2.92Å; Q253-N257 PolarHBondContact NE2-OD1 3.21Å; Q253-N257 PolarHBondContact O-N 2.8Å; Q253-N257 PolarHBondContact O-ND2 3.31Å; Q253-N257 PolarHBondContact O-OD1 3.41Å
254A94.8Very high93.5Very high22 Ų2276.1 Ų76.118%0.18236%0.358CS..Hα-helixtrans-61.3-40.617600000111.1M206 I212 R250 E251 Q252 N257 A258M206-A254 VanDerWaalsContact CE-C 3.47Å; M206-A254 HydrophobicContact CE-CB 3.38Å; M206-A254 WeakPolarHBondContact CE-O 3.32Å; I212-A254 HydrophobicContact CG2-CB 4.18Å; R250-A254 WeakPolarHBondContact O-CB 3.13Å; R250-A254 PolarHBondContact O-N 2.88Å; E251-A254 WeakPolarHBondContact O-CB 2.98Å; E251-A254 PolarHBondContact O-N 3.19Å; Q252-A254 VanDerWaalsContact C-N 3.32Å; Q252-A254 PolarHBondContact O-N 3.37Å; A254-N257 PolarHBondContact O-N 2.92Å; A254-A258 PolarHBondContact O-N 2.89Å; A254-A258 VanDerWaalsContact O-N 3.13Å
255I95.5Very high93.4Very high0 Ų076.8 Ų76.80%036%0.36CS..Hα-helixtrans-70-40.1175.7-61.1-172.8000111.7F199 L203 I212 A216 I238 I242 I243 L246 E251 Q252 Q253 N257 A258 V259F199-I255 HydrophobicContact CE2-CG2 4.49Å; F199-I255 HydrophobicContact CZ-CG2 4.02Å; L203-I255 HydrophobicContact CD2-CD1 4.16Å; L203-I255 HydrophobicContact CD2-CG1 3.89Å; L203-I255 HydrophobicContact CD2-CG2 4.22Å; I212-I255 HydrophobicContact CD1-CD1 4.16Å; I212-I255 HydrophobicContact CD1-CG1 4.3Å; I212-I255 HydrophobicContact CG2-CD1 4.39Å; I212-I255 HydrophobicContact CG2-CG1 4.03Å; A216-I255 HydrophobicContact CB-CD1 3.84Å; I238-I255 HydrophobicContact CG2-CG2 4.3Å; I242-I255 HydrophobicContact CG2-CD1 3.47Å; I242-I255 VanDerWaalsContact CG2-CD1 3.47Å; I242-I255 HydrophobicContact CG2-CG2 4.34Å; I243-I255 HydrophobicContact CD1-CG2 3.97Å; I243-I255 HydrophobicContact CG1-CB 4.13Å; I243-I255 HydrophobicContact CG1-CG2 3.62Å; L246-I255 HydrophobicContact CD1-CD1 3.38Å; L246-I255 HydrophobicContact CD1-CG1 4.34Å; E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.8Å; E251-I255 VanDerWaalsContact O-N 3.07Å; Q252-I255 PolarHBondContact O-N 3.11Å; Q253-I255 VanDerWaalsContact C-N 3.28Å; Q253-I255 PolarHBondContact O-N 3.37Å; I255-N257 VanDerWaalsContact C-N 3.28Å; I255-N257 PolarHBondContact O-N 3.47Å; I255-A258 CarbonylContact O-C 3.58Å; I255-A258 WeakPolarHBondContact O-CA 3.31Å; I255-A258 WeakPolarHBondContact O-CB 3.5Å; I255-A258 PolarHBondContact O-N 2.88Å; I255-V259 HydrophobicContact CG2-CG2 4.44Å; I255-V259 WeakPolarHBondContact O-CG2 3.46Å; I255-V259 PolarHBondContact O-N 3.36Å
256Y95.6Very high93.5Very high80 Ų8076.3 Ų76.331%0.31436%0.359SS..Hα-helixtrans-55.4-44.2173.4-82.7-60.3000112.2K239 I243 Q252 Q253 A258 V259 E260K239-Y256 WeakPolarHBondContact CE-OH 3.23Å; I243-Y256 HydrophobicContact CD1-CD1 3.64Å; I243-Y256 HydrophobicContact CD1-CD2 4.2Å; I243-Y256 HydrophobicContact CD1-CE1 3.46Å; I243-Y256 VanDerWaalsContact CD1-CE1 3.46Å; I243-Y256 HydrophobicContact CD1-CE2 4.05Å; I243-Y256 HydrophobicContact CD1-CG 4Å; I243-Y256 HydrophobicContact CG2-CD2 4.39Å; I243-Y256 HydrophobicContact CG2-CE2 3.73Å; Q252-Y256 VanDerWaalsContact O-CD2 3.26Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.46Å; Q252-Y256 PolarHBondContact O-N 2.75Å; Q253-Y256 PolarHBondContact O-N 2.92Å; Y256-A258 VanDerWaalsContact C-N 3.31Å; Y256-A258 PolarHBondContact O-N 3.33Å; Y256-V259 WeakPolarHBondContact O-CB 3.33Å; Y256-V259 PolarHBondContact O-N 2.88Å; Y256-E260 PolarHBondContact O-N 2.83Å
257N94Very high93.7Very high77 Ų7780.1 Ų80.141%0.41238%0.376SS..Hα-helixtrans-63.3-38.2176.2-60.5-15.4000111.6Q253 A254 I255 V259 E260 L261Q253-N257 PolarHBondContact NE2-OD1 3.21Å; Q253-N257 PolarHBondContact O-N 2.8Å; Q253-N257 PolarHBondContact O-ND2 3.31Å; Q253-N257 PolarHBondContact O-OD1 3.41Å; A254-N257 PolarHBondContact O-N 2.92Å; I255-N257 VanDerWaalsContact C-N 3.28Å; I255-N257 PolarHBondContact O-N 3.47Å; N257-V259 VanDerWaalsContact C-N 3.33Å; N257-E260 PolarHBondContact O-N 3.47Å; N257-L261 WeakPolarHBondContact O-CG 3.5Å; N257-L261 PolarHBondContact O-N 2.97Å
258A94.4Very high93.9Very high6 Ų673.6 Ų73.65%0.0535%0.346CS..Hα-helixtrans-67.2-32.217600000112.7F199 M206 A254 I255 Y256 L261 N262F199-A258 HydrophobicContact CD2-CB 4.39Å; F199-A258 HydrophobicContact CE2-CB 3.94Å; M206-A258 HydrophobicContact SD-CB 4.07Å; A254-A258 PolarHBondContact O-N 2.89Å; A254-A258 VanDerWaalsContact O-N 3.13Å; I255-A258 CarbonylContact O-C 3.58Å; I255-A258 WeakPolarHBondContact O-CA 3.31Å; I255-A258 WeakPolarHBondContact O-CB 3.5Å; I255-A258 PolarHBondContact O-N 2.88Å; Y256-A258 VanDerWaalsContact C-N 3.31Å; Y256-A258 PolarHBondContact O-N 3.33Å; A258-L261 PolarHBondContact O-N 3.01Å; A258-N262 PolarHBondContact O-N 3.47Å; A258-N262 PolarHBondContact O-ND2 3.09Å
259V94.7Very high94Very high12 Ų1275.3 Ų75.37%0.07335%0.352CS..Hα-helixtrans-63.5-49.6173.7174.10000110.5F199 E235 I238 I255 Y256 N257 L261 N262 F263F199-V259 HydrophobicContact CE2-CG2 3.86Å; F199-V259 HydrophobicContact CZ-CG2 4.01Å; E235-V259 HydrophobicContact CG-CG1 4.27Å; I238-V259 HydrophobicContact CB-CG2 4.35Å; I238-V259 HydrophobicContact CD1-CG1 4.31Å; I238-V259 HydrophobicContact CD1-CG2 3.78Å; I238-V259 HydrophobicContact CG2-CG2 3.67Å; I255-V259 HydrophobicContact CG2-CG2 4.44Å; I255-V259 WeakPolarHBondContact O-CG2 3.46Å; I255-V259 PolarHBondContact O-N 3.36Å; Y256-V259 WeakPolarHBondContact O-CB 3.33Å; Y256-V259 PolarHBondContact O-N 2.88Å; N257-V259 VanDerWaalsContact C-N 3.33Å; V259-L261 PolarHBondContact O-N 3.05Å; V259-L261 VanDerWaalsContact O-N 3.17Å; V259-N262 PolarHBondContact O-N 3.02Å; V259-F263 HydrophobicContact CG1-CD2 4.17Å; V259-F263 PolarHBondContact O-N 2.92Å
260E92.6Very high94Very high151 Ų15169.4 Ų69.471%0.70632%0.324SS*.Hα-helixtrans-60.5-25.5179.9-68.2-177172.900113.7Y256 N257Y256-E260 PolarHBondContact O-N 2.83Å; N257-E260 PolarHBondContact O-N 3.47Å
261L91.9Very high94Very high138 Ų13860.1 Ų60.172%0.72329%0.294SS*.Hα-helixtrans-82.4-21.7178.3-70172.1000113.4N257 A258 V259N257-L261 WeakPolarHBondContact O-CG 3.5Å; N257-L261 PolarHBondContact O-N 2.97Å; A258-L261 PolarHBondContact O-N 3.01Å; V259-L261 PolarHBondContact O-N 3.05Å; V259-L261 VanDerWaalsContact O-N 3.17Å
262N91Very high93.9Very high16 Ų1661.5 Ų61.59%0.08630%0.302CS..Hα-helixtrans-110.1-24.9-171-78.3-72.8000114F199 D202 A258 V259F199-N262 HydrophobicContact CB-CB 4.16Å; F199-N262 HydrophobicContact CD2-CB 4.32Å; D202-N262 PolarHBondContact OD2-ND2 2.82Å; A258-N262 PolarHBondContact O-N 3.47Å; A258-N262 PolarHBondContact O-ND2 3.09Å; V259-N262 PolarHBondContact O-N 3.02Å
263F90.5Very high93.7Very high84 Ų8462.5 Ų62.537%0.36831%0.308SS..  trans-127.60-175.5-58-74.6000111.3Q195 I196 F199 V234 I238 V259Q195-F263 HydrophobicContact CB-CE1 3.91Å; I196-F263 HydrophobicContact CG1-CE1 4.49Å; I196-F263 HydrophobicContact CG1-CZ 4.26Å; F199-F263 HydrophobicContact CB-CE2 3.94Å; F199-F263 HydrophobicContact CB-CZ 4.11Å; F199-F263 HydrophobicContact CD1-CE2 4.28Å; F199-F263 HydrophobicContact CD2-CE2 4.12Å; F199-F263 AromaticContact CG-CE2 3.85Å; F199-F263 HydrophobicContact CG-CE2 3.85Å; F199-F263 HydrophobicContact CG-CZ 4.38Å; V234-F263 HydrophobicContact CG1-CD1 3.74Å; V234-F263 HydrophobicContact CG1-CD2 4.07Å; V234-F263 HydrophobicContact CG1-CE1 3.72Å; V234-F263 HydrophobicContact CG1-CE2 4.06Å; V234-F263 HydrophobicContact CG1-CG 3.91Å; V234-F263 HydrophobicContact CG1-CZ 3.88Å; I238-F263 HydrophobicContact CD1-CD2 3.89Å; I238-F263 HydrophobicContact CD1-CE2 3.47Å; I238-F263 VanDerWaalsContact CD1-CE2 3.47Å; I238-F263 HydrophobicContact CD1-CZ 4.21Å; V259-F263 HydrophobicContact CG1-CD2 4.17Å; V259-F263 PolarHBondContact O-N 2.92Å

Retrieved 263 of 263 residues in 803.9 ms (Link to these results)

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