A0A3Q0KPU0_SCHMA Loading...

Proliferation-associated protein 2G4, 38kDa (M24 family)

AlphaFold DB , UniProt , Accession A0A3Q0KPU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 383 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
1M35.6Very low51.1Low238 Ų238133.5 Ų133.5100%1.17270%0.702SS**  0107.60-73.8163.1168.400104.8D3M1-D3 PolarHBondContact O-N 2.98Å
2S42.3Very low53.6Low95 Ų95122.6 Ų122.666%0.66465%0.645SS**  trans-69.8120.6171.446.90000106.6Q4S2-Q4 PolarHBondContact O-N 3.25Å
3D40.4Very low56Low154 Ų154120.2 Ų120.282%0.82463%0.632SS**  trans-62.683.4163.1-65.1-30.8000107.1M1M1-D3 PolarHBondContact O-N 2.98Å
4Q41.4Very low58.5Low172 Ų172114.6 Ų114.680%0.80460%0.603SS**  trans-99.240160.8-77.4-173.9-21.700108.3S2 S6S2-Q4 PolarHBondContact O-N 3.25Å; Q4-S6 PolarHBondContact O-N 3.32Å
5D39.9Very low60.8Low151 Ų151116.2 Ų116.281%0.80761%0.612SS**  trans-67.580.9154.5-84.7-19.5000107
6S43.1Very low62.8Low73 Ų73113.9 Ų113.951%0.5160%0.604SS.*  trans57.392.7145.878.50000116.2Q4 I8Q4-S6 PolarHBondContact O-N 3.32Å; S6-I8 PolarHBondContact O-N 3.36Å
7D47.3Very low64.7Low177 Ų177107.4 Ų107.495%0.94757%0.57SS**  trans-64.460.3148.8-74.8-38.9000109.2E9D7-E9 VanDerWaalsContact C-N 3.33Å; D7-E9 PolarHBondContact O-N 2.86Å
8I52.1Low66.5Low108 Ų108101.8 Ų101.855%0.55454%0.541SS*.  trans-67.5102.2167.4-71.3157.1000105S6 H10S6-I8 PolarHBondContact O-N 3.36Å; I8-H10 VanDerWaalsContact C-N 3.29Å; I8-H10 PolarHBondContact O-CD2 3.26Å; I8-H10 PolarHBondContact O-N 3.05Å
9E60.1Low68.1Low138 Ų138100.4 Ų100.465%0.64553%0.534SS*.  trans-64.296.6168.6-167.8176.7-175.300107.4D7 D11D7-E9 VanDerWaalsContact C-N 3.33Å; D7-E9 PolarHBondContact O-N 2.86Å; E9-D11 PolarHBondContact O-N 2.88Å
10H77.4Confident69.6Low96 Ų9696.7 Ų96.744%0.44451%0.513SS..  trans-65.7123.3176.7-66.7-93.8000109.3I8 D14 V17I8-H10 VanDerWaalsContact C-N 3.29Å; I8-H10 PolarHBondContact O-CD2 3.26Å; I8-H10 PolarHBondContact O-N 3.05Å; H10-D14 HydrophobicContact CB-CB 4.27Å; H10-D14 IonicContact CE1-OD2 3.14Å; H10-D14 IonicContact CG-OD2 3.59Å; H10-D14 IonicContact ND1-OD2 3.52Å; H10-D14 PolarHBondContact ND1-OD2 3.27Å; H10-V17 HydrophobicContact CB-CG2 3.61Å
11D82.8Confident70.9Confident66 Ų6692.4 Ų92.435%0.35349%0.489SS..  trans-97.8-175.717870.322.9000111.8E9 L13 D14 V17 N223E9-D11 PolarHBondContact O-N 2.88Å; D11-L13 PolarHBondContact O-N 2.84Å; D11-L13 VanDerWaalsContact O-N 3.11Å; D11-L13 WeakPolarHBondContact OD1-CA 3.44Å; D11-L13 VanDerWaalsContact OD1-CB 3.24Å; D11-L13 WeakPolarHBondContact OD1-CB 3.45Å; D11-L13 PolarHBondContact OD1-N 3.44Å; D11-D14 WeakPolarHBondContact O-CB 3.22Å; D11-D14 PolarHBondContact O-N 3.24Å; D11-V17 VanDerWaalsContact O-CB 3.28Å; D11-V17 WeakPolarHBondContact O-CB 3.48Å; D11-V17 WeakPolarHBondContact O-CG2 3.41Å; D11-N223 HydrophobicContact CB-CB 4.11Å; D11-N223 PolarHBondContact OD2-ND2 2.86Å
12V81.2Confident73.9Confident3 Ų385.8 Ų85.82%0.01845%0.454CS..THydrogen-bonded Turntrans-72.56.3-178.9-590000114.4D14 V17 V18 Y21 N223 V225 L325 M327V12-D14 VanDerWaalsContact C-N 3.34Å; V12-V17 HydrophobicContact CG1-CG1 4.13Å; V12-V18 HydrophobicContact CB-CG2 4.1Å; V12-V18 WeakPolarHBondContact O-CG2 3.48Å; V12-Y21 HydrophobicContact CG1-CD2 4Å; V12-Y21 HydrophobicContact CG1-CE2 3.75Å; V12-N223 VanDerWaalsContact CG2-CA 3.4Å; V12-N223 HydrophobicContact CG2-CB 3.82Å; V12-N223 WeakPolarHBondContact CG2-O 3.47Å; V12-V225 HydrophobicContact CG1-CG2 3.47Å; V12-V225 VanDerWaalsContact CG1-CG2 3.47Å; V12-L325 HydrophobicContact CB-CD2 4.24Å; V12-L325 HydrophobicContact CG1-CD2 3.89Å; V12-L325 HydrophobicContact CG1-CG 4Å; V12-M327 HydrophobicContact CB-SD 4.26Å; V12-M327 HydrophobicContact CG2-SD 4.04Å; V12-M327 WeakPolarHBondContact O-CE 3.44Å
13L84.4Confident76.6Confident91 Ų9183 Ų8348%0.47643%0.431SS..THydrogen-bonded Turntrans-83.7-16.3164.3-57.6179.2000112D11 N223 P328D11-L13 PolarHBondContact O-N 2.84Å; D11-L13 VanDerWaalsContact O-N 3.11Å; D11-L13 WeakPolarHBondContact OD1-CA 3.44Å; D11-L13 VanDerWaalsContact OD1-CB 3.24Å; D11-L13 WeakPolarHBondContact OD1-CB 3.45Å; D11-L13 PolarHBondContact OD1-N 3.44Å; L13-N223 WeakPolarHBondContact CD1-ND2 3.38Å; L13-N223 WeakPolarHBondContact CD2-OD1 3.45Å; L13-N223 WeakPolarHBondContact CG-ND2 3.08Å; L13-N223 WeakPolarHBondContact CG-OD1 3.44Å; L13-P328 HydrophobicContact CD2-CG 3.75Å
14D91.1Very high79.4Confident42 Ų4275.7 Ų75.723%0.22539%0.392CS..SBendtrans-78.2120.9169.9-170.3-37.6000110.1H10 D11 V12 T16 V17 V18H10-D14 HydrophobicContact CB-CB 4.27Å; H10-D14 IonicContact CE1-OD2 3.14Å; H10-D14 IonicContact CG-OD2 3.59Å; H10-D14 IonicContact ND1-OD2 3.52Å; H10-D14 PolarHBondContact ND1-OD2 3.27Å; D11-D14 WeakPolarHBondContact O-CB 3.22Å; D11-D14 PolarHBondContact O-N 3.24Å; V12-D14 VanDerWaalsContact C-N 3.34Å; D14-T16 PolarHBondContact O-N 3.1Å; D14-T16 VanDerWaalsContact O-N 3.14Å; D14-T16 WeakPolarHBondContact OD1-CA 3.42Å; D14-T16 WeakPolarHBondContact OD1-CB 3.45Å; D14-T16 PolarHBondContact OD1-N 3.44Å; D14-T16 PolarHBondContact OD1-OG1 3.16Å; D14-V17 HydrophobicContact CB-CB 4.22Å; D14-V17 HydrophobicContact CB-CG2 3.91Å; D14-V17 WeakPolarHBondContact O-CB 3.29Å; D14-V17 PolarHBondContact O-N 2.93Å; D14-V18 PolarHBondContact O-N 2.78Å
15D92.5Very high82.1Confident139 Ų13967.6 Ų67.674%0.74335%0.354SS*.Hα-helixtrans-55.6-31.8177.9-78-29.8000112.6N19D15-N19 WeakPolarHBondContact O-CB 3.42Å; D15-N19 PolarHBondContact O-N 3.27Å
16T93.9Very high84.9Confident79 Ų7966.9 Ų66.949%0.48535%0.346SS..Hα-helixtrans-64.8-41.4176.1-49.50000111.3D14 K20D14-T16 PolarHBondContact O-N 3.1Å; D14-T16 VanDerWaalsContact O-N 3.14Å; D14-T16 WeakPolarHBondContact OD1-CA 3.42Å; D14-T16 WeakPolarHBondContact OD1-CB 3.45Å; D14-T16 PolarHBondContact OD1-N 3.44Å; D14-T16 PolarHBondContact OD1-OG1 3.16Å; T16-K20 WeakPolarHBondContact O-CG 3.2Å; T16-K20 PolarHBondContact O-N 2.58Å; T16-K20 VanDerWaalsContact O-N 3.08Å
17V95.4Very high87.5Confident3 Ų363.8 Ų63.82%0.01832%0.324CS..Hα-helixtrans-70.3-48.5179173.30000110.3H10 D11 V12 D14 N19 K20 Y21 Y119H10-V17 HydrophobicContact CB-CG2 3.61Å; D11-V17 VanDerWaalsContact O-CB 3.28Å; D11-V17 WeakPolarHBondContact O-CB 3.48Å; D11-V17 WeakPolarHBondContact O-CG2 3.41Å; V12-V17 HydrophobicContact CG1-CG1 4.13Å; D14-V17 HydrophobicContact CB-CB 4.22Å; D14-V17 HydrophobicContact CB-CG2 3.91Å; D14-V17 WeakPolarHBondContact O-CB 3.29Å; D14-V17 PolarHBondContact O-N 2.93Å; V17-N19 PolarHBondContact O-N 3.21Å; V17-K20 PolarHBondContact O-N 3.49Å; V17-K20 VanDerWaalsContact O-N 3.13Å; V17-Y21 HydrophobicContact CG1-CD2 3.87Å; V17-Y21 HydrophobicContact CG1-CE2 3.75Å; V17-Y21 WeakPolarHBondContact O-CD2 3.38Å; V17-Y21 PolarHBondContact O-N 2.85Å; V17-Y119 HydrophobicContact CB-CE1 4.34Å; V17-Y119 HydrophobicContact CG1-CD1 3.88Å; V17-Y119 HydrophobicContact CG1-CE1 3.46Å; V17-Y119 VanDerWaalsContact CG1-CE1 3.46Å; V17-Y119 HydrophobicContact CG2-CE1 4.14Å; V17-Y119 WeakPolarHBondContact CG2-OH 3.33Å
18V95.9Very high90Very high8 Ų855.3 Ų55.35%0.04828%0.279CS..Hα-helixtrans-58-41.3175.8177.30000110.8V12 D14 Y21 K22 L325 M327V12-V18 HydrophobicContact CB-CG2 4.1Å; V12-V18 WeakPolarHBondContact O-CG2 3.48Å; D14-V18 PolarHBondContact O-N 2.78Å; V18-Y21 PolarHBondContact O-N 3.21Å; V18-K22 HydrophobicContact CG1-CD 4.01Å; V18-K22 HydrophobicContact CG1-CG 4.36Å; V18-K22 WeakPolarHBondContact O-CB 3.4Å; V18-K22 WeakPolarHBondContact O-CG 3.44Å; V18-K22 PolarHBondContact O-N 3.48Å; V18-L325 HydrophobicContact CG1-CD2 4.49Å; V18-M327 HydrophobicContact CG2-CE 4.18Å
19N96.8Very high92.2Very high75 Ų7551.7 Ų51.740%0.40126%0.261SS..Hα-helixtrans-63.7-41.6177.8-172.856.9000111.9D15 V17 Y21 K22 M23D15-N19 WeakPolarHBondContact O-CB 3.42Å; D15-N19 PolarHBondContact O-N 3.27Å; V17-N19 PolarHBondContact O-N 3.21Å; N19-Y21 PolarHBondContact O-N 2.64Å; N19-K22 PolarHBondContact O-N 3.14Å; N19-M23 PolarHBondContact ND2-SD 3.39Å; N19-M23 VanDerWaalsContact ND2-SD 3.37Å; N19-M23 WeakPolarHBondContact O-CB 3.37Å; N19-M23 VanDerWaalsContact O-CG 3.28Å; N19-M23 WeakPolarHBondContact O-CG 3.47Å; N19-M23 PolarHBondContact O-N 2.5Å
20K97.9Very high94.1Very high26 Ų2646.7 Ų46.711%0.11324%0.243CC..Hα-helixtrans-62.8-41.9175.5-72.8168.6179176.30112.2T16 V17 M23 S24 F64 I116 D117 Y119T16-K20 WeakPolarHBondContact O-CG 3.2Å; T16-K20 PolarHBondContact O-N 2.58Å; T16-K20 VanDerWaalsContact O-N 3.08Å; V17-K20 PolarHBondContact O-N 3.49Å; V17-K20 VanDerWaalsContact O-N 3.13Å; K20-M23 PolarHBondContact O-N 2.98Å; K20-S24 WeakPolarHBondContact O-CB 3.42Å; K20-S24 PolarHBondContact O-N 2.88Å; K20-S24 PolarHBondContact O-OG 3.22Å; K20-F64 HydrophobicContact CG-CZ 4.15Å; K20-I116 HydrophobicContact CB-CG2 4.43Å; K20-I116 HydrophobicContact CG-CG2 4.22Å; K20-D117 HydrophobicContact CD-CB 4.04Å; K20-D117 IonicContact NZ-OD2 3.53Å; K20-D117 PolarHBondContact NZ-OD2 2.85Å; K20-Y119 HydrophobicContact CB-CD2 3.84Å; K20-Y119 HydrophobicContact CB-CG 4.26Å; K20-Y119 HydrophobicContact CD-CD2 3.57Å; K20-Y119 HydrophobicContact CD-CE2 3.61Å; K20-Y119 HydrophobicContact CG-CD2 4.34Å
21Y98.4Very high95.1Very high6 Ų642.1 Ų42.12%0.02422%0.222CC..Hα-helixtrans-63.2-42.6172.3-82.8-65.3000112.7V12 V17 V18 N19 S24 A25 Y119 A120 T121 V225 L325V12-Y21 HydrophobicContact CG1-CD2 4Å; V12-Y21 HydrophobicContact CG1-CE2 3.75Å; V17-Y21 HydrophobicContact CG1-CD2 3.87Å; V17-Y21 HydrophobicContact CG1-CE2 3.75Å; V17-Y21 WeakPolarHBondContact O-CD2 3.38Å; V17-Y21 PolarHBondContact O-N 2.85Å; V18-Y21 PolarHBondContact O-N 3.21Å; N19-Y21 PolarHBondContact O-N 2.64Å; Y21-S24 PolarHBondContact O-N 2.93Å; Y21-S24 PolarHBondContact O-OG 2.83Å; Y21-S24 VanDerWaalsContact O-OG 3.08Å; Y21-A25 WeakPolarHBondContact O-CB 3.28Å; Y21-A25 PolarHBondContact O-N 2.84Å; Y21-Y119 HydrophobicContact CD2-CD1 4.1Å; Y21-Y119 HydrophobicContact CD2-CG 4.47Å; Y21-Y119 HydrophobicContact CE1-CD1 4.36Å; Y21-Y119 AromaticContact CE2-CD1 3.42Å; Y21-Y119 HydrophobicContact CE2-CD1 3.42Å; Y21-Y119 VanDerWaalsContact CE2-CD1 3.42Å; Y21-Y119 HydrophobicContact CE2-CE1 4.21Å; Y21-Y119 HydrophobicContact CE2-CG 4.16Å; Y21-Y119 AromaticContact CZ-CD1 3.58Å; Y21-A120 WeakPolarHBondContact CE1-O 3.25Å; Y21-T121 HydrophobicContact CD1-CG2 3.91Å; Y21-V225 HydrophobicContact CE1-CG1 3.85Å; Y21-V225 HydrophobicContact CE1-CG2 4.4Å; Y21-V225 HydrophobicContact CE2-CG2 3.78Å; Y21-L325 HydrophobicContact CD2-CD2 4.03Å; Y21-L325 HydrophobicContact CD2-CG 4.46Å; Y21-L325 HydrophobicContact CG-CD1 4.3Å; Y21-L325 HydrophobicContact CG-CD2 4.16Å
22K98.3Very high95.9Very high100 Ų10039 Ų3944%0.43521%0.205SC..Hα-helixtrans-63.9-43177.6-76.5174.3178.4169.70111.9V18 N19 A25 E26 V334V18-K22 HydrophobicContact CG1-CD 4.01Å; V18-K22 HydrophobicContact CG1-CG 4.36Å; V18-K22 WeakPolarHBondContact O-CB 3.4Å; V18-K22 WeakPolarHBondContact O-CG 3.44Å; V18-K22 PolarHBondContact O-N 3.48Å; N19-K22 PolarHBondContact O-N 3.14Å; K22-A25 PolarHBondContact O-N 3.31Å; K22-E26 WeakPolarHBondContact O-CB 2.97Å; K22-E26 PolarHBondContact O-N 3Å; K22-V334 HydrophobicContact CG-CG1 4.48Å
23M98.4Very high96.7Very high36 Ų3642.8 Ų42.818%0.17723%0.228CC..Hα-helixtrans-69.2-38.7178.8-70.6179.973.700111.9N19 K20 A25 E26 V27 L63 F64 I116N19-M23 PolarHBondContact ND2-SD 3.39Å; N19-M23 VanDerWaalsContact ND2-SD 3.37Å; N19-M23 WeakPolarHBondContact O-CB 3.37Å; N19-M23 VanDerWaalsContact O-CG 3.28Å; N19-M23 WeakPolarHBondContact O-CG 3.47Å; N19-M23 PolarHBondContact O-N 2.5Å; K20-M23 PolarHBondContact O-N 2.98Å; M23-A25 VanDerWaalsContact C-N 3.34Å; M23-E26 PolarHBondContact O-N 3.02Å; M23-V27 WeakPolarHBondContact O-CG2 3.22Å; M23-V27 PolarHBondContact O-N 3.07Å; M23-L63 HydrophobicContact CB-CD1 4.29Å; M23-L63 HydrophobicContact CE-CB 3.97Å; M23-L63 HydrophobicContact CE-CD1 4.09Å; M23-L63 HydrophobicContact CE-CD2 3.66Å; M23-L63 HydrophobicContact CE-CG 4.1Å; M23-F64 HydrophobicContact CB-CE2 4.45Å; M23-F64 HydrophobicContact CE-CD2 4.15Å; M23-F64 HydrophobicContact CE-CE2 3.48Å; M23-F64 VanDerWaalsContact CE-CE2 3.48Å; M23-F64 HydrophobicContact CE-CZ 3.82Å; M23-F64 HydrophobicContact SD-CE1 4.3Å; M23-F64 HydrophobicContact SD-CE2 3.48Å; M23-F64 WeakPolarHBondContact SD-CE2 3.48Å; M23-F64 HydrophobicContact SD-CZ 3.3Å; M23-F64 WeakPolarHBondContact SD-CZ 3.44Å; M23-I116 HydrophobicContact CB-CD1 3.62Å
24S98.6Very high97.4Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-66.7-39.6172.967.70000110.8K20 Y21 E26 V27 T28 Y119 T121K20-S24 WeakPolarHBondContact O-CB 3.42Å; K20-S24 PolarHBondContact O-N 2.88Å; K20-S24 PolarHBondContact O-OG 3.22Å; Y21-S24 PolarHBondContact O-N 2.93Å; Y21-S24 PolarHBondContact O-OG 2.83Å; Y21-S24 VanDerWaalsContact O-OG 3.08Å; S24-E26 PolarHBondContact O-N 3.34Å; S24-V27 PolarHBondContact O-N 2.94Å; S24-T28 WeakPolarHBondContact O-CB 3.13Å; S24-T28 PolarHBondContact O-N 2.7Å; S24-T28 PolarHBondContact O-OG1 2.93Å; S24-Y119 PolarHBondContact OG-O 2.78Å; S24-T121 PolarHBondContact O-OG1 3.43Å; S24-T121 WeakPolarHBondContact OG-CG2 3.48Å; S24-T121 PolarHBondContact OG-OG1 3.4Å
25A98.8Very high97.8Very high2 Ų239.8 Ų39.82%0.01721%0.21CC..Hα-helixtrans-63.7-39.3175.700000113.2Y21 K22 M23 V27 T28 N29 T121 V334 T335Y21-A25 WeakPolarHBondContact O-CB 3.28Å; Y21-A25 PolarHBondContact O-N 2.84Å; K22-A25 PolarHBondContact O-N 3.31Å; M23-A25 VanDerWaalsContact C-N 3.34Å; A25-V27 VanDerWaalsContact C-N 3.33Å; A25-V27 PolarHBondContact O-N 2.95Å; A25-T28 PolarHBondContact O-N 3.16Å; A25-N29 WeakPolarHBondContact O-CB 3.22Å; A25-N29 VanDerWaalsContact O-CG 3.24Å; A25-N29 PolarHBondContact O-N 3.29Å; A25-N29 PolarHBondContact O-ND2 3.12Å; A25-T121 WeakPolarHBondContact CA-OG1 3.33Å; A25-T121 HydrophobicContact CB-CG2 3.99Å; A25-T121 PolarHBondContact N-OG1 2.95Å; A25-T121 VanDerWaalsContact N-OG1 3.17Å; A25-V334 HydrophobicContact CB-CB 3.73Å; A25-V334 HydrophobicContact CB-CG2 3.93Å; A25-V334 WeakPolarHBondContact CB-O 3.35Å; A25-T335 HydrophobicContact CB-CG2 3.57Å
26E98.7Very high98Very high136 Ų13635.2 Ų35.264%0.63619%0.185SC*.Hα-helixtrans-59.6-45.6175.4-176.4179.2178.700110.8K22 M23 S24 A30K22-E26 WeakPolarHBondContact O-CB 2.97Å; K22-E26 PolarHBondContact O-N 3Å; M23-E26 PolarHBondContact O-N 3.02Å; S24-E26 PolarHBondContact O-N 3.34Å; E26-A30 WeakPolarHBondContact O-CB 3.19Å; E26-A30 PolarHBondContact O-N 3.24Å
27V98.8Very high98.3Very high8 Ų834.2 Ų34.25%0.04819%0.191CC..Hα-helixtrans-61.2-51.4174.5172.40000111M23 S24 A25 N29 A30 V31 I56 K59 V60 L63 A114M23-V27 WeakPolarHBondContact O-CG2 3.22Å; M23-V27 PolarHBondContact O-N 3.07Å; S24-V27 PolarHBondContact O-N 2.94Å; A25-V27 VanDerWaalsContact C-N 3.33Å; A25-V27 PolarHBondContact O-N 2.95Å; V27-N29 PolarHBondContact O-N 3.23Å; V27-A30 PolarHBondContact O-N 3.05Å; V27-V31 WeakPolarHBondContact O-CG2 3.47Å; V27-V31 PolarHBondContact O-N 3.45Å; V27-I56 HydrophobicContact CG1-CD1 3.89Å; V27-K59 HydrophobicContact CB-CB 4.35Å; V27-K59 HydrophobicContact CG1-CB 3.67Å; V27-K59 HydrophobicContact CG1-CD 4.09Å; V27-K59 HydrophobicContact CG2-CB 3.91Å; V27-V60 HydrophobicContact CB-CG1 4.38Å; V27-V60 HydrophobicContact CG1-CG1 3.84Å; V27-V60 HydrophobicContact CG2-CG1 4.23Å; V27-L63 HydrophobicContact CG2-CD1 3.64Å; V27-A114 HydrophobicContact CB-CB 4.3Å; V27-A114 HydrophobicContact CG1-CB 3.96Å
28T98.9Very high98.4Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-56.2-49.8-179.6-62.60000111.8S24 A25 V31 L32 V112 A114 T121 V123 T335S24-T28 WeakPolarHBondContact O-CB 3.13Å; S24-T28 PolarHBondContact O-N 2.7Å; S24-T28 PolarHBondContact O-OG1 2.93Å; A25-T28 PolarHBondContact O-N 3.16Å; T28-V31 PolarHBondContact O-N 2.87Å; T28-L32 PolarHBondContact O-N 3.33Å; T28-V112 HydrophobicContact CG2-CG1 4.47Å; T28-V112 WeakPolarHBondContact CG2-O 3.31Å; T28-A114 WeakPolarHBondContact OG1-CB 3.42Å; T28-A114 PolarHBondContact OG1-N 3.13Å; T28-A114 VanDerWaalsContact OG1-N 3.08Å; T28-T121 PolarHBondContact OG1-O 3.01Å; T28-T121 PolarHBondContact OG1-OG1 2.86Å; T28-V123 HydrophobicContact CG2-CB 3.8Å; T28-V123 HydrophobicContact CG2-CG1 3.43Å; T28-V123 VanDerWaalsContact CG2-CG1 3.43Å; T28-T335 HydrophobicContact CG2-CG2 3.93Å
29N98.9Very high98.5Very high31 Ų3137.7 Ų37.717%0.16621%0.209CC..Hα-helixtrans-66.1-40.6179.1-69.2-27.6000112A25 V27 L32 V33 V334 T335 G336 L337A25-N29 WeakPolarHBondContact O-CB 3.22Å; A25-N29 VanDerWaalsContact O-CG 3.24Å; A25-N29 PolarHBondContact O-N 3.29Å; A25-N29 PolarHBondContact O-ND2 3.12Å; V27-N29 PolarHBondContact O-N 3.23Å; N29-L32 PolarHBondContact O-N 3.09Å; N29-V33 WeakPolarHBondContact O-CG2 3.41Å; N29-V33 PolarHBondContact O-N 2.84Å; N29-V334 PolarHBondContact ND2-O 2.83Å; N29-V334 VanDerWaalsContact ND2-O 3.09Å; N29-T335 VanDerWaalsContact OD1-CA 3.25Å; N29-T335 WeakPolarHBondContact OD1-CA 3.43Å; N29-T335 WeakPolarHBondContact OD1-CB 3.38Å; N29-G336 PolarHBondContact OD1-N 3.09Å; N29-L337 HydrophobicContact CB-CD2 4.47Å
30A98.8Very high98.6Very high33 Ų3338.1 Ų38.127%0.27321%0.214SC..Hα-helixtrans-63.5-43179.400000111.7E26 V27 V33 E34 K59E26-A30 WeakPolarHBondContact O-CB 3.19Å; E26-A30 PolarHBondContact O-N 3.24Å; V27-A30 PolarHBondContact O-N 3.05Å; A30-V33 PolarHBondContact O-N 2.83Å; A30-E34 WeakPolarHBondContact O-CG 3.44Å; A30-E34 PolarHBondContact O-N 3.31Å; A30-K59 HydrophobicContact CB-CD 4.24Å
31V98.9Very high98.6Very high1 Ų141.8 Ų41.81%0.00624%0.235CC..Hα-helixtrans-65.3-41.9175.5176.80000111.3V27 T28 V33 E34 L35 K55 I56 K59 V112V27-V31 WeakPolarHBondContact O-CG2 3.47Å; V27-V31 PolarHBondContact O-N 3.45Å; T28-V31 PolarHBondContact O-N 2.87Å; V31-V33 VanDerWaalsContact C-N 3.34Å; V31-V33 PolarHBondContact O-N 3.08Å; V31-E34 PolarHBondContact O-N 2.99Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.18Å; V31-L35 WeakPolarHBondContact O-CG 3.28Å; V31-L35 PolarHBondContact O-N 2.86Å; V31-K55 HydrophobicContact CG1-CB 4.11Å; V31-K55 HydrophobicContact CG2-CB 3.75Å; V31-I56 HydrophobicContact CB-CD1 3.8Å; V31-I56 HydrophobicContact CB-CG1 4.39Å; V31-I56 HydrophobicContact CG1-CD1 4.14Å; V31-I56 HydrophobicContact CG1-CG1 4.23Å; V31-I56 HydrophobicContact CG2-CD1 3.51Å; V31-I56 HydrophobicContact CG2-CG1 4.03Å; V31-K59 HydrophobicContact CG2-CD 3.7Å; V31-V112 HydrophobicContact CG1-CG2 4.11Å
32L98.9Very high98.6Very high0 Ų043.3 Ų43.30%025%0.252CS..Hα-helixtrans-57.2-46.3175176.165.8000111.9T28 N29 E34 L35 I36 I110 V112 V123 H125 L337T28-L32 PolarHBondContact O-N 3.33Å; N29-L32 PolarHBondContact O-N 3.09Å; L32-E34 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 2.72Å; L32-I36 HydrophobicContact CD1-CD1 3.99Å; L32-I36 HydrophobicContact CD1-CG1 4.15Å; L32-I36 HydrophobicContact CD2-CD1 4.47Å; L32-I36 HydrophobicContact CG-CD1 3.9Å; L32-I36 HydrophobicContact CG-CG1 4.43Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 3.46Å; L32-I110 HydrophobicContact CD1-CB 3.78Å; L32-I110 HydrophobicContact CD1-CD1 4.49Å; L32-I110 HydrophobicContact CD1-CG2 3.75Å; L32-V112 HydrophobicContact CB-CG1 4.14Å; L32-V123 HydrophobicContact CB-CG1 3.86Å; L32-V123 HydrophobicContact CD1-CG1 4.47Å; L32-V123 HydrophobicContact CD2-CB 4.24Å; L32-V123 HydrophobicContact CD2-CG1 3.61Å; L32-V123 HydrophobicContact CD2-CG2 3.57Å; L32-V123 HydrophobicContact CG-CG1 4.17Å; L32-H125 HydrophobicContact CD1-CB 4.15Å; L32-H125 HydrophobicContact CD2-CB 3.75Å; L32-H125 HydrophobicContact CG-CB 4.49Å; L32-L337 HydrophobicContact CD2-CD1 3.67Å; L32-L337 HydrophobicContact CD2-CD2 4.25Å; L32-L337 HydrophobicContact CD2-CG 3.68Å; L32-L337 HydrophobicContact CG-CD1 3.99Å; L32-L337 HydrophobicContact CG-CG 4.46Å
33V98.8Very high98.6Very high82 Ų8239.3 Ų39.350%0.49724%0.238SC..Hα-helixtrans-61.3-43.7178.2170.90000111.4N29 A30 V31 I36 G37 L337N29-V33 WeakPolarHBondContact O-CG2 3.41Å; N29-V33 PolarHBondContact O-N 2.84Å; A30-V33 PolarHBondContact O-N 2.83Å; V31-V33 VanDerWaalsContact C-N 3.34Å; V31-V33 PolarHBondContact O-N 3.08Å; V33-I36 PolarHBondContact O-N 2.96Å; V33-G37 PolarHBondContact O-N 2.92Å; V33-G37 VanDerWaalsContact O-N 3.13Å; V33-L337 HydrophobicContact CG2-CD1 3.93Å; V33-L337 HydrophobicContact CG2-CD2 3.61Å; V33-L337 HydrophobicContact CG2-CG 4.45Å
34E98.7Very high98.6Very high69 Ų6939.5 Ų39.532%0.32224%0.24SC..Hα-helixtrans-59.9-46.6175.8-74.6178.2-137.100111.4A30 V31 L32 G37 L38 K55 K59A30-E34 WeakPolarHBondContact O-CG 3.44Å; A30-E34 PolarHBondContact O-N 3.31Å; V31-E34 PolarHBondContact O-N 2.99Å; L32-E34 PolarHBondContact O-N 2.92Å; E34-G37 PolarHBondContact O-N 3.48Å; E34-L38 WeakPolarHBondContact O-CG 3.38Å; E34-L38 PolarHBondContact O-N 3.01Å; E34-K55 WeakPolarHBondContact OE2-CD 3.36Å; E34-K55 WeakPolarHBondContact OE2-CE 3.38Å; E34-K59 WeakPolarHBondContact OE1-CE 3.22Å; E34-K59 IonicContact OE1-NZ 3.81Å; E34-K59 PolarHBondContact OE1-NZ 2.9Å
35L98.9Very high98.5Very high2 Ų239.5 Ų39.51%0.0124%0.24CC..Hα-helixtrans-64.1-44179.7-69.5172000112.4V31 L32 G37 L38 C39 L48 T78 I110V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.18Å; V31-L35 WeakPolarHBondContact O-CG 3.28Å; V31-L35 PolarHBondContact O-N 2.86Å; L32-L35 PolarHBondContact O-N 2.72Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.47Å; L35-C39 PolarHBondContact O-N 3.47Å; L35-C39 VanDerWaalsContact O-N 3.11Å; L35-C39 PolarHBondContact O-SG 3Å; L35-L48 VanDerWaalsContact CD2-O 3.31Å; L35-L48 WeakPolarHBondContact CD2-O 3.29Å; L35-T78 HydrophobicContact CD1-CG2 3.58Å; L35-I110 HydrophobicContact CB-CD1 3.93Å; L35-I110 HydrophobicContact CB-CG2 4.38Å; L35-I110 HydrophobicContact CD1-CG2 3.82Å
36I98.6Very high98.4Very high42 Ų4239.7 Ų39.722%0.21524%0.241CC..Hα-helixtrans-56.9-43.3175.7-69.6171.4000110.6L32 V33 L38 C39 I110 F127 L337L32-I36 HydrophobicContact CD1-CD1 3.99Å; L32-I36 HydrophobicContact CD1-CG1 4.15Å; L32-I36 HydrophobicContact CD2-CD1 4.47Å; L32-I36 HydrophobicContact CG-CD1 3.9Å; L32-I36 HydrophobicContact CG-CG1 4.43Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 3.46Å; V33-I36 PolarHBondContact O-N 2.96Å; I36-L38 PolarHBondContact O-N 3.4Å; I36-C39 PolarHBondContact O-N 2.85Å; I36-I110 HydrophobicContact CG1-CD1 3.92Å; I36-F127 HydrophobicContact CB-CE1 4.36Å; I36-F127 HydrophobicContact CB-CZ 4.4Å; I36-F127 HydrophobicContact CD1-CD1 4.41Å; I36-F127 HydrophobicContact CG1-CD1 4.05Å; I36-F127 HydrophobicContact CG1-CE1 3.71Å; I36-F127 HydrophobicContact CG1-CZ 4.23Å; I36-F127 HydrophobicContact CG2-CD1 4.42Å; I36-F127 HydrophobicContact CG2-CD2 4.37Å; I36-F127 HydrophobicContact CG2-CE1 4.29Å; I36-F127 HydrophobicContact CG2-CE2 4.21Å; I36-F127 HydrophobicContact CG2-CG 4.48Å; I36-F127 HydrophobicContact CG2-CZ 4.18Å; I36-L337 HydrophobicContact CD1-CD1 3.45Å; I36-L337 VanDerWaalsContact CD1-CD1 3.45Å
37G98.3Very high98.3Very high58 Ų5839.4 Ų39.460%0.59824%0.239SC*.Hα-helixtrans-65.5-19.5178.700000114.4V33 E34 L35V33-G37 PolarHBondContact O-N 2.92Å; V33-G37 VanDerWaalsContact O-N 3.13Å; E34-G37 PolarHBondContact O-N 3.48Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 2.89Å
38L98.7Very high98.3Very high77 Ų7739.5 Ų39.540%0.40324%0.239SC..Hα-helixtrans-97.5-10.8178.2-64.4169.6000113.1E34 L35 I36 V40 A43 L48 L51E34-L38 WeakPolarHBondContact O-CG 3.38Å; E34-L38 PolarHBondContact O-N 3.01Å; L35-L38 PolarHBondContact O-N 3.47Å; I36-L38 PolarHBondContact O-N 3.4Å; L38-V40 VanDerWaalsContact C-N 3.27Å; L38-V40 PolarHBondContact O-N 3.39Å; L38-A43 VanDerWaalsContact O-CB 3.28Å; L38-A43 WeakPolarHBondContact O-CB 3.24Å; L38-L48 HydrophobicContact CB-CD2 3.51Å; L38-L48 HydrophobicContact CD1-CD2 4.23Å; L38-L51 HydrophobicContact CD1-CD2 3.32Å
39C98.6Very high98.3Very high7 Ų739.5 Ų39.55%0.04724%0.239CC..  trans-76.280.1173.3-68.50000110.7L35 I36 I102 F127 V129L35-C39 PolarHBondContact O-N 3.47Å; L35-C39 VanDerWaalsContact O-N 3.11Å; L35-C39 PolarHBondContact O-SG 3Å; I36-C39 PolarHBondContact O-N 2.85Å; C39-I102 HydrophobicContact CB-CD1 3.79Å; C39-I102 WeakPolarHBondContact SG-CD1 3.32Å; C39-F127 HydrophobicContact CB-CE2 3.85Å; C39-F127 HydrophobicContact CB-CZ 3.49Å; C39-F127 VanDerWaalsContact CB-CZ 3.49Å; C39-V129 HydrophobicContact CB-CG2 4.44Å
40V98.2Very high98.2Very high85 Ų8541.7 Ų41.752%0.51525%0.248SC..  trans-114.8171174.4-61.90000110.5L38 G42 A43L38-V40 VanDerWaalsContact C-N 3.27Å; L38-V40 PolarHBondContact O-N 3.39Å; V40-G42 PolarHBondContact O-N 2.92Å; V40-A43 HydrophobicContact CG2-CB 4.23Å; V40-A43 VanDerWaalsContact O-CB 3.23Å; V40-A43 WeakPolarHBondContact O-CB 3.42Å; V40-A43 PolarHBondContact O-N 3.39Å
41D98.3Very high98.2Very high103 Ų10342.7 Ų42.755%0.55125%0.249SC*.THydrogen-bonded Turntrans-55.2126.5174.8-157.181.3000111.4A43 T104D41-A43 VanDerWaalsContact C-N 3.32Å; D41-T104 WeakPolarHBondContact CB-OG1 3.4Å; D41-T104 WeakPolarHBondContact OD1-CB 3.31Å; D41-T104 PolarHBondContact OD1-N 3.06Å; D41-T104 PolarHBondContact OD1-OG1 3.49Å
42G98.2Very high98.2Very high37 Ų3742.6 Ų42.638%0.38125%0.249SC..THydrogen-bonded Turntrans81.60.9-178.300000115V40 N44 I102V40-G42 PolarHBondContact O-N 2.92Å; G42-N44 PolarHBondContact O-N 3.08Å; G42-I102 PolarHBondContact N-O 2.89Å
43A98.3Very high98.2Very high16 Ų1643.3 Ų43.313%0.13225%0.252CS..  trans-66.1129.4177.300000111.1L38 V40 D41 L48 E101 I102L38-A43 VanDerWaalsContact O-CB 3.28Å; L38-A43 WeakPolarHBondContact O-CB 3.24Å; V40-A43 HydrophobicContact CG2-CB 4.23Å; V40-A43 VanDerWaalsContact O-CB 3.23Å; V40-A43 WeakPolarHBondContact O-CB 3.42Å; V40-A43 PolarHBondContact O-N 3.39Å; D41-A43 VanDerWaalsContact C-N 3.32Å; A43-L48 HydrophobicContact CB-CD1 4.02Å; A43-E101 CarbonylContact O-C 3.58Å; A43-E101 WeakPolarHBondContact O-CA 3.49Å; A43-I102 HydrophobicContact CB-CB 4.45Å; A43-I102 PolarHBondContact O-N 2.9Å
44N97.3Very high98.2Very high40 Ų4045.2 Ų45.221%0.21425%0.254CS..BIsolated β-bridgetrans-78.6125.3-177.6-174.4-61.4000111.5G42 I46 E47 L48 T100G42-N44 PolarHBondContact O-N 3.08Å; N44-I46 PolarHBondContact O-N 2.86Å; N44-I46 WeakPolarHBondContact OD1-CA 3.4Å; N44-I46 WeakPolarHBondContact OD1-CB 3.28Å; N44-I46 PolarHBondContact OD1-N 3.33Å; N44-E47 HydrophobicContact CB-CB 4.15Å; N44-E47 HydrophobicContact CB-CG 3.92Å; N44-E47 PolarHBondContact O-N 3.45Å; N44-E47 PolarHBondContact OD1-N 3.25Å; N44-L48 VanDerWaalsContact O-CG 3.26Å; N44-L48 WeakPolarHBondContact O-CG 3.26Å; N44-L48 PolarHBondContact O-N 3.09Å; N44-L48 VanDerWaalsContact O-N 3.07Å; N44-T100 WeakPolarHBondContact CA-O 3.18Å
45I97.6Very high98.2Very high0 Ų044.6 Ų44.60%025%0.25CS..Hα-helixtrans-67.1-36.9-176.2-68.2173.4000112.1L48 C49 I80 V82 Y89 P91 P99 T100 I102I45-L48 PolarHBondContact O-N 2.67Å; I45-C49 WeakPolarHBondContact O-CB 3.4Å; I45-C49 PolarHBondContact O-N 3.46Å; I45-C49 PolarHBondContact O-SG 3.19Å; I45-I80 HydrophobicContact CG2-CB 4.03Å; I45-I80 HydrophobicContact CG2-CG2 4.41Å; I45-V82 HydrophobicContact CD1-CG1 4.13Å; I45-Y89 HydrophobicContact CD1-CE1 4.3Å; I45-Y89 HydrophobicContact CG2-CD1 4.11Å; I45-Y89 HydrophobicContact CG2-CE1 3.92Å; I45-P91 HydrophobicContact CG2-CG 3.84Å; I45-P99 HydrophobicContact CD1-CB 4.4Å; I45-P99 HydrophobicContact CD1-CG 4.36Å; I45-P99 WeakPolarHBondContact CD1-O 3.23Å; I45-T100 PolarHBondContact N-O 3.28Å; I45-I102 HydrophobicContact CD1-CG1 4.08Å; I45-I102 HydrophobicContact CG1-CD1 4.32Å; I45-I102 HydrophobicContact CG1-CG1 3.68Å
46I96.6Very high98.2Very high7 Ų744.5 Ų44.54%0.03625%0.25CC..Hα-helixtrans-63.1-49.8178.1-61.8160.8000109.5N44 L48 C49 E50 P91 D93N44-I46 PolarHBondContact O-N 2.86Å; N44-I46 WeakPolarHBondContact OD1-CA 3.4Å; N44-I46 WeakPolarHBondContact OD1-CB 3.28Å; N44-I46 PolarHBondContact OD1-N 3.33Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.48Å; I46-C49 WeakPolarHBondContact O-CB 3.29Å; I46-C49 PolarHBondContact O-N 3.22Å; I46-E50 WeakPolarHBondContact O-CG 3.41Å; I46-E50 PolarHBondContact O-N 3.11Å; I46-P91 HydrophobicContact CG1-CB 3.77Å; I46-P91 HydrophobicContact CG1-CG 3.6Å; I46-D93 WeakPolarHBondContact CG2-OD1 3.18Å
47E97Very high98.2Very high129 Ų12946.3 Ų46.360%0.60325%0.254SS*.Hα-helixtrans-60.9-40.3179.4-64.6-177.6175.100111.9N44 E50 L51N44-E47 HydrophobicContact CB-CB 4.15Å; N44-E47 HydrophobicContact CB-CG 3.92Å; N44-E47 PolarHBondContact O-N 3.45Å; N44-E47 PolarHBondContact OD1-N 3.25Å; E47-E50 PolarHBondContact O-N 3.33Å; E47-L51 VanDerWaalsContact O-CB 3.22Å; E47-L51 WeakPolarHBondContact O-CB 3.35Å; E47-L51 PolarHBondContact O-N 3.4Å
48L98.5Very high98.2Very high11 Ų1147.1 Ų47.16%0.05824%0.243CC..Hα-helixtrans-65.4-42.3176.5-70.4174000112.1L35 L38 A43 N44 I45 I46 L51 G52 I80 I102L35-L48 VanDerWaalsContact CD2-O 3.31Å; L35-L48 WeakPolarHBondContact CD2-O 3.29Å; L38-L48 HydrophobicContact CB-CD2 3.51Å; L38-L48 HydrophobicContact CD1-CD2 4.23Å; A43-L48 HydrophobicContact CB-CD1 4.02Å; N44-L48 VanDerWaalsContact O-CG 3.26Å; N44-L48 WeakPolarHBondContact O-CG 3.26Å; N44-L48 PolarHBondContact O-N 3.09Å; N44-L48 VanDerWaalsContact O-N 3.07Å; I45-L48 PolarHBondContact O-N 2.67Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.48Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-G52 PolarHBondContact O-N 3.49Å; L48-I80 HydrophobicContact CB-CD1 3.45Å; L48-I80 VanDerWaalsContact CB-CD1 3.45Å; L48-I80 HydrophobicContact CD1-CD1 4.05Å; L48-I80 HydrophobicContact CG-CD1 4.41Å; L48-I102 HydrophobicContact CD1-CD1 3.56Å
49C98.3Very high98.2Very high0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-61.9-43.2175-80.40000112I45 I46 D53 T78I45-C49 WeakPolarHBondContact O-CB 3.4Å; I45-C49 PolarHBondContact O-N 3.46Å; I45-C49 PolarHBondContact O-SG 3.19Å; I46-C49 WeakPolarHBondContact O-CB 3.29Å; I46-C49 PolarHBondContact O-N 3.22Å; C49-D53 PolarHBondContact O-N 3.02Å; C49-T78 WeakPolarHBondContact O-CB 3.43Å; C49-T78 PolarHBondContact SG-O 3.28Å
50E97.8Very high98.2Very high76 Ų7646 Ų4636%0.35523%0.234SC..Hα-helixtrans-61.9-46.1174.2-77.1-176.7171.300112.8I46 E47 D53 K54 R282I46-E50 WeakPolarHBondContact O-CG 3.41Å; I46-E50 PolarHBondContact O-N 3.11Å; E47-E50 PolarHBondContact O-N 3.33Å; E50-D53 PolarHBondContact O-N 3.28Å; E50-K54 WeakPolarHBondContact O-CB 3.45Å; E50-K54 PolarHBondContact O-N 3.13Å; E50-R282 HydrophobicContact CG-CG 4.31Å; E50-R282 WeakPolarHBondContact OE1-CD 3.44Å
51L98.7Very high98.1Very high54 Ų5444.9 Ų44.928%0.28323%0.23SC..Hα-helixtrans-63-44.4-179.9-178.862000111L38 E47 L48 D53 K54 K55L38-L51 HydrophobicContact CD1-CD2 3.32Å; E47-L51 VanDerWaalsContact O-CB 3.22Å; E47-L51 WeakPolarHBondContact O-CB 3.35Å; E47-L51 PolarHBondContact O-N 3.4Å; L48-L51 PolarHBondContact O-N 3.22Å; L51-D53 PolarHBondContact O-N 2.74Å; L51-K54 PolarHBondContact O-N 2.79Å; L51-K55 HydrophobicContact CD1-CG 4.03Å; L51-K55 HydrophobicContact CG-CG 4.2Å; L51-K55 WeakPolarHBondContact O-CB 3.39Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 2.97Å
52G98.9Very high98.1Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-56.6-49.9177.300000111.9L48 K54 K55 I56 T78L48-G52 PolarHBondContact O-N 3.49Å; G52-K54 PolarHBondContact O-N 3.01Å; G52-K55 PolarHBondContact O-N 3.37Å; G52-I56 WeakPolarHBondContact O-CG1 3.49Å; G52-I56 PolarHBondContact O-N 3.2Å; G52-T78 VanDerWaalsContact C-OG1 3.24Å; G52-T78 WeakPolarHBondContact CA-OG1 3.4Å
53D98.7Very high98Very high14 Ų1445.2 Ų45.28%0.07522%0.219CC..Hα-helixtrans-61-46178.4-71.1-8.7000111.9C49 E50 L51 K55 I56 Y57 I74 T78 R282C49-D53 PolarHBondContact O-N 3.02Å; E50-D53 PolarHBondContact O-N 3.28Å; L51-D53 PolarHBondContact O-N 2.74Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.12Å; D53-I56 PolarHBondContact O-N 3.48Å; D53-Y57 WeakPolarHBondContact O-CD2 3.37Å; D53-Y57 PolarHBondContact O-N 3.37Å; D53-I74 HydrophobicContact CB-CD1 3.61Å; D53-T78 PolarHBondContact N-OG1 2.84Å; D53-T78 VanDerWaalsContact N-OG1 3.15Å; D53-T78 WeakPolarHBondContact OD1-CB 3.39Å; D53-T78 PolarHBondContact OD1-N 3.2Å; D53-T78 PolarHBondContact OD1-OG1 2.9Å; D53-R282 IonicContact OD2-CZ 2.74Å; D53-R282 IonicContact OD2-NE 2.7Å; D53-R282 IonicContact OD2-NH2 3.72Å; D53-R282 PolarHBondContact OD2-NH2 2.67Å
54K98.6Very high97.9Very high123 Ų12346.4 Ų46.454%0.53522%0.221SC..Hα-helixtrans-59.1-44.9176.1179.7179.1174.7-179.20111.4E50 L51 G52 I56 Y57 E58E50-K54 WeakPolarHBondContact O-CB 3.45Å; E50-K54 PolarHBondContact O-N 3.13Å; L51-K54 PolarHBondContact O-N 2.79Å; G52-K54 PolarHBondContact O-N 3.01Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-I56 PolarHBondContact O-N 3.04Å; K54-Y57 PolarHBondContact O-N 2.85Å; K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 HydrophobicContact CG-CG 4.41Å; K54-E58 WeakPolarHBondContact O-CG 3.14Å; K54-E58 PolarHBondContact O-N 3.3Å
55K98.8Very high97.7Very high56 Ų5651 Ų5124%0.24324%0.239CC..Hα-helixtrans-64.3-36.6-179.9-73.8-70.7176.8-1600112.6V31 E34 L51 G52 D53 E58 K59V31-K55 HydrophobicContact CG1-CB 4.11Å; V31-K55 HydrophobicContact CG2-CB 3.75Å; E34-K55 WeakPolarHBondContact OE2-CD 3.36Å; E34-K55 WeakPolarHBondContact OE2-CE 3.38Å; L51-K55 HydrophobicContact CD1-CG 4.03Å; L51-K55 HydrophobicContact CG-CG 4.2Å; L51-K55 WeakPolarHBondContact O-CB 3.39Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 2.97Å; G52-K55 PolarHBondContact O-N 3.37Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.12Å; K55-E58 WeakPolarHBondContact CD-OE2 3.49Å; K55-E58 IonicContact NZ-OE2 2.92Å; K55-E58 PolarHBondContact NZ-OE2 2.88Å; K55-E58 VanDerWaalsContact NZ-OE2 3.11Å; K55-E58 PolarHBondContact O-N 3.2Å; K55-K59 WeakPolarHBondContact O-CB 3.48Å; K55-K59 WeakPolarHBondContact O-CG 3.46Å; K55-K59 PolarHBondContact O-N 3.14Å
56I98.8Very high97.6Very high0 Ų060.1 Ų60.10%028%0.279CS..Hα-helixtrans-59.8-52.8172.7-65.2-69.2000109.7V27 V31 G52 D53 K54 E58 K59 V60 I74 V112 A114V27-I56 HydrophobicContact CG1-CD1 3.89Å; V31-I56 HydrophobicContact CB-CD1 3.8Å; V31-I56 HydrophobicContact CB-CG1 4.39Å; V31-I56 HydrophobicContact CG1-CD1 4.14Å; V31-I56 HydrophobicContact CG1-CG1 4.23Å; V31-I56 HydrophobicContact CG2-CD1 3.51Å; V31-I56 HydrophobicContact CG2-CG1 4.03Å; G52-I56 WeakPolarHBondContact O-CG1 3.49Å; G52-I56 PolarHBondContact O-N 3.2Å; D53-I56 PolarHBondContact O-N 3.48Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-I56 PolarHBondContact O-N 3.04Å; I56-E58 PolarHBondContact O-N 2.71Å; I56-K59 PolarHBondContact O-N 2.95Å; I56-V60 HydrophobicContact CG2-CG1 4.31Å; I56-V60 WeakPolarHBondContact O-CG1 3.34Å; I56-V60 WeakPolarHBondContact O-CG2 3.32Å; I56-V60 PolarHBondContact O-N 2.82Å; I56-I74 HydrophobicContact CB-CG1 4.12Å; I56-I74 HydrophobicContact CG2-CG1 3.82Å; I56-V112 HydrophobicContact CD1-CG2 3.78Å; I56-V112 HydrophobicContact CG1-CG2 3.78Å; I56-A114 HydrophobicContact CD1-CB 4.12Å; I56-A114 HydrophobicContact CG2-CB 3.84Å
57Y98.2Very high97.5Very high79 Ų7963.8 Ų63.831%0.3130%0.296SS..Hα-helixtrans-58.9-45.2178.5-76.8-60000112.8D53 K54 K59 S61 I74D53-Y57 WeakPolarHBondContact O-CD2 3.37Å; D53-Y57 PolarHBondContact O-N 3.37Å; K54-Y57 PolarHBondContact O-N 2.85Å; Y57-K59 PolarHBondContact O-N 2.59Å; Y57-S61 VanDerWaalsContact O-CB 3.28Å; Y57-S61 WeakPolarHBondContact O-CB 3.46Å; Y57-S61 PolarHBondContact O-N 2.52Å; Y57-S61 PolarHBondContact O-OG 3.11Å; Y57-I74 HydrophobicContact CD2-CD1 3.96Å; Y57-I74 HydrophobicContact CD2-CG1 4.3Å; Y57-I74 HydrophobicContact CE1-CG1 4.47Å; Y57-I74 HydrophobicContact CE2-CD1 3.37Å; Y57-I74 HydrophobicContact CE2-CG1 3.86Å
58E98.5Very high97.2Very high76 Ų7667 Ų6736%0.35531%0.308SS..Hα-helixtrans-55.5-52.1176.2-76.5177.7178.900111K54 K55 I56 S61K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 HydrophobicContact CG-CG 4.41Å; K54-E58 WeakPolarHBondContact O-CG 3.14Å; K54-E58 PolarHBondContact O-N 3.3Å; K55-E58 WeakPolarHBondContact CD-OE2 3.49Å; K55-E58 IonicContact NZ-OE2 2.92Å; K55-E58 PolarHBondContact NZ-OE2 2.88Å; K55-E58 VanDerWaalsContact NZ-OE2 3.11Å; K55-E58 PolarHBondContact O-N 3.2Å; I56-E58 PolarHBondContact O-N 2.71Å; E58-S61 PolarHBondContact O-N 3.08Å; E58-S61 PolarHBondContact O-OG 3.12Å
59K98.7Very high97Very high57 Ų5775.4 Ų75.425%0.24835%0.347CS..Hα-helixtrans-68.4-46.8-176.6-70.6177.2-170.1-720112.4V27 A30 V31 E34 K55 I56 Y57 S61 Q62V27-K59 HydrophobicContact CB-CB 4.35Å; V27-K59 HydrophobicContact CG1-CB 3.67Å; V27-K59 HydrophobicContact CG1-CD 4.09Å; V27-K59 HydrophobicContact CG2-CB 3.91Å; A30-K59 HydrophobicContact CB-CD 4.24Å; V31-K59 HydrophobicContact CG2-CD 3.7Å; E34-K59 WeakPolarHBondContact OE1-CE 3.22Å; E34-K59 IonicContact OE1-NZ 3.81Å; E34-K59 PolarHBondContact OE1-NZ 2.9Å; K55-K59 WeakPolarHBondContact O-CB 3.48Å; K55-K59 WeakPolarHBondContact O-CG 3.46Å; K55-K59 PolarHBondContact O-N 3.14Å; I56-K59 PolarHBondContact O-N 2.95Å; Y57-K59 PolarHBondContact O-N 2.59Å; K59-S61 PolarHBondContact O-N 3.48Å; K59-Q62 WeakPolarHBondContact O-CB 3.47Å; K59-Q62 PolarHBondContact O-N 2.99Å; K59-Q62 VanDerWaalsContact O-N 3.1Å
60V98Very high96.8Very high4 Ų476.8 Ų76.82%0.02435%0.354CS..Hα-helixtrans-66.4-27.3-179.9-570000112.6V27 I56 Q62 L63 K72 A114V27-V60 HydrophobicContact CB-CG1 4.38Å; V27-V60 HydrophobicContact CG1-CG1 3.84Å; V27-V60 HydrophobicContact CG2-CG1 4.23Å; I56-V60 HydrophobicContact CG2-CG1 4.31Å; I56-V60 WeakPolarHBondContact O-CG1 3.34Å; I56-V60 WeakPolarHBondContact O-CG2 3.32Å; I56-V60 PolarHBondContact O-N 2.82Å; V60-Q62 PolarHBondContact O-N 2.79Å; V60-L63 PolarHBondContact O-N 3.5Å; V60-K72 HydrophobicContact CB-CB 3.99Å; V60-K72 HydrophobicContact CG2-CB 3.89Å; V60-A114 HydrophobicContact CG1-CB 4.1Å
61S96.8Very high96.7Very high60 Ų6079 Ų7942%0.4236%0.359SS..Hα-helixtrans-64.3-23.6175.377.30000113.1Y57 E58 K59 L63Y57-S61 VanDerWaalsContact O-CB 3.28Å; Y57-S61 WeakPolarHBondContact O-CB 3.46Å; Y57-S61 PolarHBondContact O-N 2.52Å; Y57-S61 PolarHBondContact O-OG 3.11Å; E58-S61 PolarHBondContact O-N 3.08Å; E58-S61 PolarHBondContact O-OG 3.12Å; K59-S61 PolarHBondContact O-N 3.48Å; S61-L63 VanDerWaalsContact C-N 3.34Å
62Q97.2Very high96.6Very high113 Ų11378.8 Ų78.853%0.52836%0.356SS..THydrogen-bonded Turntrans-81.8-14.9178.7-56-51.9-41.800113.4K59 V60 K65K59-Q62 WeakPolarHBondContact O-CB 3.47Å; K59-Q62 PolarHBondContact O-N 2.99Å; K59-Q62 VanDerWaalsContact O-N 3.1Å; V60-Q62 PolarHBondContact O-N 2.79Å; Q62-K65 VanDerWaalsContact O-CE 3.3Å; Q62-K65 WeakPolarHBondContact O-CE 3.25Å
63L96.9Very high96.6Very high35 Ų3579 Ų7918%0.18336%0.357CS..SBendtrans-94.1147.7-178.3-52.6179.5000109.8M23 V27 V60 S61 K65 K72 I116M23-L63 HydrophobicContact CB-CD1 4.29Å; M23-L63 HydrophobicContact CE-CB 3.97Å; M23-L63 HydrophobicContact CE-CD1 4.09Å; M23-L63 HydrophobicContact CE-CD2 3.66Å; M23-L63 HydrophobicContact CE-CG 4.1Å; V27-L63 HydrophobicContact CG2-CD1 3.64Å; V60-L63 PolarHBondContact O-N 3.5Å; S61-L63 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.91Å; L63-K72 PolarHBondContact O-NZ 3.13Å; L63-I116 HydrophobicContact CD1-CD1 3.53Å
64F95.4Very high96.6Very high41 Ų4178.8 Ų78.818%0.1836%0.356CS..SBendtrans49.252.6175.2-55.5-82.3000113.3K20 M23 K66 E67 M70 K72 I116K20-F64 HydrophobicContact CG-CZ 4.15Å; M23-F64 HydrophobicContact CB-CE2 4.45Å; M23-F64 HydrophobicContact CE-CD2 4.15Å; M23-F64 HydrophobicContact CE-CE2 3.48Å; M23-F64 VanDerWaalsContact CE-CE2 3.48Å; M23-F64 HydrophobicContact CE-CZ 3.82Å; M23-F64 HydrophobicContact SD-CE1 4.3Å; M23-F64 HydrophobicContact SD-CE2 3.48Å; M23-F64 WeakPolarHBondContact SD-CE2 3.48Å; M23-F64 HydrophobicContact SD-CZ 3.3Å; M23-F64 WeakPolarHBondContact SD-CZ 3.44Å; F64-K66 VanDerWaalsContact C-N 3.28Å; F64-K66 PolarHBondContact O-N 2.97Å; F64-E67 WeakPolarHBondContact CA-OE2 3.28Å; F64-E67 HydrophobicContact CB-CB 4.22Å; F64-E67 HydrophobicContact CB-CG 4.39Å; F64-E67 VanDerWaalsContact CB-OE2 3.29Å; F64-E67 WeakPolarHBondContact CB-OE2 3.34Å; F64-E67 PolarHBondContact O-N 2.8Å; F64-M70 HydrophobicContact CB-CE 4.12Å; F64-M70 HydrophobicContact CB-SD 3.57Å; F64-M70 VanDerWaalsContact CB-SD 3.57Å; F64-M70 HydrophobicContact CD1-CE 3.77Å; F64-M70 HydrophobicContact CD1-SD 3.99Å; F64-M70 HydrophobicContact CD2-SD 3.75Å; F64-M70 HydrophobicContact CE1-CE 4.31Å; F64-M70 HydrophobicContact CE2-SD 4.44Å; F64-M70 HydrophobicContact CG-CE 3.91Å; F64-M70 HydrophobicContact CG-SD 3.49Å; F64-M70 WeakPolarHBondContact CG-SD 3.34Å; F64-K72 HydrophobicContact CB-CD 4.38Å; F64-K72 PolarHBondContact O-NZ 2.92Å; F64-I116 HydrophobicContact CD2-CD1 4.45Å; F64-I116 HydrophobicContact CD2-CG2 3.64Å; F64-I116 HydrophobicContact CE2-CD1 4Å; F64-I116 HydrophobicContact CE2-CG2 3.45Å; F64-I116 VanDerWaalsContact CE2-CG2 3.45Å; F64-I116 HydrophobicContact CZ-CG2 4.29Å
65K94.5Very high96.6Very high135 Ų13573 Ų7359%0.58733%0.331SS*.SBendtrans-70.3-23-176.8-67.8-176.2178.9-178.70113.2Q62 L63Q62-K65 VanDerWaalsContact O-CE 3.3Å; Q62-K65 WeakPolarHBondContact O-CE 3.25Å; L63-K65 PolarHBondContact O-N 2.91Å
66K95.5Very high96.6Very high193 Ų19370.3 Ų70.384%0.83932%0.319SS*.SBendtrans-82.3-23.6-179.6-66.1-177.7179.41790111F64 K68F64-K66 VanDerWaalsContact C-N 3.28Å; F64-K66 PolarHBondContact O-N 2.97Å; K66-K68 PolarHBondContact O-N 3.22Å
67E94.7Very high96.6Very high83 Ų8370.4 Ų70.439%0.38832%0.32SS..  trans-91.473.8-176.9-58.173-164.900110.2F64 E69 M70F64-E67 WeakPolarHBondContact CA-OE2 3.28Å; F64-E67 HydrophobicContact CB-CB 4.22Å; F64-E67 HydrophobicContact CB-CG 4.39Å; F64-E67 VanDerWaalsContact CB-OE2 3.29Å; F64-E67 WeakPolarHBondContact CB-OE2 3.34Å; F64-E67 PolarHBondContact O-N 2.8Å; E67-E69 PolarHBondContact O-N 3.49Å; E67-M70 HydrophobicContact CB-CB 3.86Å; E67-M70 HydrophobicContact CB-CE 3.97Å; E67-M70 HydrophobicContact CG-CE 4.01Å; E67-M70 WeakPolarHBondContact O-CB 3.2Å; E67-M70 PolarHBondContact O-N 3.49Å; E67-M70 VanDerWaalsContact O-N 3.09Å
68K90.6Very high96.6Very high198 Ų19866.7 Ų66.786%0.86131%0.305SS*.THydrogen-bonded Turntrans-61.3-27.2-173.3-65.5-175.9179.9179.30114.5K66K66-K68 PolarHBondContact O-N 3.22Å
69E92.8Very high96.6Very high187 Ų18763 Ų6387%0.87429%0.288SS*.THydrogen-bonded Turntrans-87.6-10.9-179.6-60.2-174150.600112.9E67 R71E67-E69 PolarHBondContact O-N 3.49Å; E69-R71 PolarHBondContact O-N 3.03Å
70M95Very high96.6Very high28 Ų2860.3 Ų60.314%0.13828%0.277CS..  trans-70.1115.3-178.9-174.4-176.6-69.300110.6F64 E67 K72 I116 D117F64-M70 HydrophobicContact CB-CE 4.12Å; F64-M70 HydrophobicContact CB-SD 3.57Å; F64-M70 VanDerWaalsContact CB-SD 3.57Å; F64-M70 HydrophobicContact CD1-CE 3.77Å; F64-M70 HydrophobicContact CD1-SD 3.99Å; F64-M70 HydrophobicContact CD2-SD 3.75Å; F64-M70 HydrophobicContact CE1-CE 4.31Å; F64-M70 HydrophobicContact CE2-SD 4.44Å; F64-M70 HydrophobicContact CG-CE 3.91Å; F64-M70 HydrophobicContact CG-SD 3.49Å; F64-M70 WeakPolarHBondContact CG-SD 3.34Å; E67-M70 HydrophobicContact CB-CB 3.86Å; E67-M70 HydrophobicContact CB-CE 3.97Å; E67-M70 HydrophobicContact CG-CE 4.01Å; E67-M70 WeakPolarHBondContact O-CB 3.2Å; E67-M70 PolarHBondContact O-N 3.49Å; E67-M70 VanDerWaalsContact O-N 3.09Å; M70-K72 HydrophobicContact CG-CD 4.46Å; M70-K72 HydrophobicContact CG-CG 4.22Å; M70-K72 HydrophobicContact SD-CD 4.27Å; M70-K72 HydrophobicContact SD-CG 4.41Å; M70-I116 HydrophobicContact SD-CG2 3.71Å; M70-D117 HydrophobicContact CE-CB 4.37Å; M70-D117 HydrophobicContact CG-CB 3.67Å; M70-D117 HydrophobicContact SD-CB 4.01Å
71R95.6Very high96.6Very high123 Ų12360.1 Ų60.146%0.46428%0.275SS..  trans-75.5128.1177.8-61.8-169.1-177.1-154.98.6111E69 D117 N272 L275E69-R71 PolarHBondContact O-N 3.03Å; R71-D117 WeakPolarHBondContact O-CA 3.27Å; R71-D117 PolarHBondContact O-N 3.45Å; R71-N272 PolarHBondContact NH1-O 3.33Å; R71-L275 HydrophobicContact CB-CD1 4.09Å
72K97.2Very high96.7Very high50 Ų5057.6 Ų57.622%0.21726%0.257CS..EExtended strand (participates in β ladder)trans-139.8143.3-177.6-63.1166.9-66.6-165.70108.7V60 L63 F64 M70 H115 I116V60-K72 HydrophobicContact CB-CB 3.99Å; V60-K72 HydrophobicContact CG2-CB 3.89Å; L63-K72 PolarHBondContact O-NZ 3.13Å; F64-K72 HydrophobicContact CB-CD 4.38Å; F64-K72 PolarHBondContact O-NZ 2.92Å; M70-K72 HydrophobicContact CG-CD 4.46Å; M70-K72 HydrophobicContact CG-CG 4.22Å; M70-K72 HydrophobicContact SD-CD 4.27Å; M70-K72 HydrophobicContact SD-CG 4.41Å; K72-H115 WeakPolarHBondContact CA-O 2.98Å; K72-I116 HydrophobicContact CG-CG1 4.46Å; K72-I116 HydrophobicContact CG-CG2 4.25Å
73G97.8Very high96.8Very high3 Ų353.7 Ų53.73%0.03124%0.24CC..EExtended strand (participates in β ladder)trans169.6-157.1-177.400000113.5A114 H115G73-A114 CarbonylContact O-C 3.6Å; G73-A114 WeakPolarHBondContact O-CA 3.28Å; G73-H115 PolarHBondContact N-NE2 2.89Å; G73-H115 PolarHBondContact N-O 2.96Å; G73-H115 VanDerWaalsContact N-O 3.12Å; G73-H115 PolarHBondContact O-CD2 3.17Å; G73-H115 PolarHBondContact O-N 3.27Å
74I98.5Very high96.9Very high11 Ų1153 Ų536%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-77.2127.2179.9-65.4175000109.7D53 I56 Y57 F76 P77 G113 H115D53-I74 HydrophobicContact CB-CD1 3.61Å; I56-I74 HydrophobicContact CB-CG1 4.12Å; I56-I74 HydrophobicContact CG2-CG1 3.82Å; Y57-I74 HydrophobicContact CD2-CD1 3.96Å; Y57-I74 HydrophobicContact CD2-CG1 4.3Å; Y57-I74 HydrophobicContact CE1-CG1 4.47Å; Y57-I74 HydrophobicContact CE2-CD1 3.37Å; Y57-I74 HydrophobicContact CE2-CG1 3.86Å; I74-F76 WeakPolarHBondContact CG2-O 3.47Å; I74-P77 HydrophobicContact CG2-CG 4.23Å; I74-G113 WeakPolarHBondContact CA-O 3.3Å; I74-H115 PolarHBondContact O-CD2 2.86Å
75A98.6Very high97Very high0 Ų051.1 Ų51.10%023%0.228CC..EExtended strand (participates in β ladder)trans-94.1-24.7168.400000112.5G113 A114 H115 A120 I122 Y277 P278A75-G113 PolarHBondContact N-O 3.05Å; A75-A114 VanDerWaalsContact CB-C 3.46Å; A75-A114 WeakPolarHBondContact CB-O 3.43Å; A75-H115 HydrophobicContact CB-CB 4.14Å; A75-A120 HydrophobicContact CB-CB 3.65Å; A75-I122 HydrophobicContact CB-CG1 4.45Å; A75-Y277 HydrophobicContact CB-CD1 4.25Å; A75-Y277 HydrophobicContact CB-CG 4.42Å; A75-P278 WeakPolarHBondContact O-CD 3.12Å
76F98.8Very high97.2Very high1 Ų144.7 Ų44.70%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-150.8122.8171.3-165-96.3000109I74 A79 H88 D111 G113 I122 Y197 L248 P278 L306I74-F76 WeakPolarHBondContact CG2-O 3.47Å; F76-A79 HydrophobicContact CE1-CB 4.3Å; F76-H88 AromaticContact CZ-CD2 3.92Å; F76-D111 HydrophobicContact CD1-CB 3.79Å; F76-D111 HydrophobicContact CE1-CB 3.62Å; F76-G113 PolarHBondContact N-O 2.83Å; F76-G113 PolarHBondContact O-N 3.33Å; F76-I122 HydrophobicContact CB-CG1 4.02Å; F76-I122 HydrophobicContact CB-CG2 3.91Å; F76-I122 HydrophobicContact CG-CG2 4.3Å; F76-Y197 HydrophobicContact CD2-CE2 4.36Å; F76-Y197 AromaticContact CD2-CZ 3.96Å; F76-Y197 WeakPolarHBondContact CD2-OH 3.41Å; F76-Y197 WeakPolarHBondContact CE2-OH 3.45Å; F76-L248 HydrophobicContact CE1-CD1 4.39Å; F76-L248 HydrophobicContact CZ-CD1 4.23Å; F76-P278 HydrophobicContact CD2-CB 3.93Å; F76-P278 HydrophobicContact CD2-CG 3.84Å; F76-P278 HydrophobicContact CE2-CB 4.13Å; F76-P278 HydrophobicContact CE2-CG 4.1Å; F76-L306 HydrophobicContact CE2-CD1 4.41Å
77P98.7Very high97.3Very high2 Ų238 Ų381%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-60.2148.1178.5-22.633.8000111.2I74 A79 L248 P278I74-P77 HydrophobicContact CG2-CG 4.23Å; P77-A79 PolarHBondContact O-N 2.75Å; P77-L248 HydrophobicContact CB-CD2 3.76Å; P77-L248 HydrophobicContact CG-CD2 3.97Å; P77-P278 WeakPolarHBondContact CD-O 3.36Å
78T98.9Very high97.5Very high0 Ų034.9 Ų34.90%016%0.155CC..EExtended strand (participates in β ladder)trans-61.8120.7179.8-51.40000109.4L35 C49 G52 D53 I80 S90 D111L35-T78 HydrophobicContact CD1-CG2 3.58Å; C49-T78 WeakPolarHBondContact O-CB 3.43Å; C49-T78 PolarHBondContact SG-O 3.28Å; G52-T78 VanDerWaalsContact C-OG1 3.24Å; G52-T78 WeakPolarHBondContact CA-OG1 3.4Å; D53-T78 PolarHBondContact N-OG1 2.84Å; D53-T78 VanDerWaalsContact N-OG1 3.15Å; D53-T78 WeakPolarHBondContact OD1-CB 3.39Å; D53-T78 PolarHBondContact OD1-N 3.2Å; D53-T78 PolarHBondContact OD1-OG1 2.9Å; T78-I80 HydrophobicContact CG2-CG1 4.41Å; T78-S90 WeakPolarHBondContact O-CB 3.34Å; T78-S90 PolarHBondContact O-OG 3.08Å; T78-D111 VanDerWaalsContact CA-O 3.31Å; T78-D111 WeakPolarHBondContact CA-O 3.33Å
79A98.7Very high97.8Very high0 Ų025.8 Ų25.80%012%0.116CC..EExtended strand (participates in β ladder)trans-126.1136.6175.100000109.1F76 P77 Y89 I110 D111 L248F76-A79 HydrophobicContact CE1-CB 4.3Å; P77-A79 PolarHBondContact O-N 2.75Å; A79-Y89 CarbonylContact C-O 3.58Å; A79-Y89 VanDerWaalsContact CA-O 3.28Å; A79-Y89 WeakPolarHBondContact CA-O 3.02Å; A79-I110 WeakPolarHBondContact O-CA 3.5Å; A79-D111 HydrophobicContact CB-CB 4.37Å; A79-D111 PolarHBondContact N-O 2.71Å; A79-D111 PolarHBondContact O-N 3.41Å; A79-L248 HydrophobicContact CB-CD1 4.17Å
80I98.7Very high98Very high0 Ų016.9 Ų16.90%07%0.074CC..EExtended strand (participates in β ladder)trans-128.1107.3-177.5-59.1-179.4000107.5I45 L48 T78 Y89 I102 V108 K109 I110I45-I80 HydrophobicContact CG2-CB 4.03Å; I45-I80 HydrophobicContact CG2-CG2 4.41Å; L48-I80 HydrophobicContact CB-CD1 3.45Å; L48-I80 VanDerWaalsContact CB-CD1 3.45Å; L48-I80 HydrophobicContact CD1-CD1 4.05Å; L48-I80 HydrophobicContact CG-CD1 4.41Å; T78-I80 HydrophobicContact CG2-CG1 4.41Å; I80-Y89 PolarHBondContact N-O 3.28Å; I80-Y89 VanDerWaalsContact O-CD1 3.24Å; I80-Y89 WeakPolarHBondContact O-CD1 3.41Å; I80-I102 HydrophobicContact CG2-CD1 4.33Å; I80-V108 HydrophobicContact CG2-CG1 3.65Å; I80-K109 CarbonylContact C-O 3.47Å; I80-K109 VanDerWaalsContact CA-O 3.24Å; I80-K109 WeakPolarHBondContact CA-O 3.46Å; I80-I110 HydrophobicContact CG1-CG1 4.28Å; I80-I110 HydrophobicContact CG1-CG2 4.49Å
81S98.5Very high98.1Very high0 Ų015.9 Ų15.90%07%0.069CC..EExtended strand (participates in β ladder)trans-113.6125.3-176.8-58.10000110.7R87 Y89 K109S81-R87 WeakPolarHBondContact OG-CA 3.35Å; S81-Y89 PolarHBondContact OG-N 2.92Å; S81-K109 PolarHBondContact N-O 2.85Å; S81-K109 WeakPolarHBondContact O-CB 3.38Å; S81-K109 PolarHBondContact O-N 3.43Å; S81-K109 PolarHBondContact O-NZ 2.91Å
82V98.5Very high98Very high7 Ų710.6 Ų10.64%0.0425%0.051CC..EExtended strand (participates in β ladder)trans-105.5145.2-173.9-570000112.6I45 N84 M85 P99 L107 V108I45-V82 HydrophobicContact CD1-CG1 4.13Å; V82-N84 PolarHBondContact O-N 2.66Å; V82-N84 VanDerWaalsContact O-N 3.12Å; V82-M85 WeakPolarHBondContact O-CB 3.46Å; V82-M85 PolarHBondContact O-N 3.45Å; V82-P99 HydrophobicContact CG2-CB 4.13Å; V82-P99 HydrophobicContact CG2-CG 3.46Å; V82-P99 VanDerWaalsContact CG2-CG 3.46Å; V82-L107 CarbonylContact C-O 3.45Å; V82-L107 VanDerWaalsContact CA-O 3.29Å; V82-L107 WeakPolarHBondContact CA-O 3.43Å; V82-V108 HydrophobicContact CG1-CG2 4.16Å
83N98.6Very high97.4Very high30 Ų3012.9 Ų12.916%0.167%0.065CC..THydrogen-bonded Turntrans52.3-109.4173.4-57.8-48.9000113.5D106 L107 F316 V317N83-D106 PolarHBondContact ND2-OD1 2.75Å; N83-L107 PolarHBondContact N-O 3.43Å; N83-L107 PolarHBondContact OD1-N 3.34Å; N83-L107 VanDerWaalsContact OD1-N 3.09Å; N83-F316 HydrophobicContact CB-CD1 4.19Å; N83-F316 HydrophobicContact CB-CE1 4.33Å; N83-V317 PolarHBondContact O-N 3.47Å
84N98.5Very high96.2Very high20 Ų2021.5 Ų21.511%0.10711%0.105CC..THydrogen-bonded Turntrans-79.4-16.2-17969-48.2000113.8V82 I86 C310 E311 K312 D313 E315V82-N84 PolarHBondContact O-N 2.66Å; V82-N84 VanDerWaalsContact O-N 3.12Å; N84-I86 PolarHBondContact O-N 3.48Å; N84-C310 CarbonylContact O-C 3.46Å; N84-C310 WeakPolarHBondContact O-CA 3.34Å; N84-E311 HydrophobicContact CB-CB 4.22Å; N84-E311 PolarHBondContact ND2-O 3.41Å; N84-E311 PolarHBondContact O-N 2.7Å; N84-K312 WeakPolarHBondContact CB-O 3.05Å; N84-D313 PolarHBondContact ND2-OD1 3.09Å; N84-E315 WeakPolarHBondContact CA-O 3.36Å; N84-E315 WeakPolarHBondContact CB-O 3.3Å; N84-E315 PolarHBondContact N-O 2.72Å
85M98.3Very high94.8Very high3 Ų322.4 Ų22.42%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-64.8123.9173.3-66.2-172.6159.200109.1V82 Y89 P99 K109 H242V82-M85 WeakPolarHBondContact O-CB 3.46Å; V82-M85 PolarHBondContact O-N 3.45Å; M85-Y89 HydrophobicContact CE-CD2 4.35Å; M85-Y89 HydrophobicContact CE-CE2 4.5Å; M85-Y89 HydrophobicContact CE-CG 4.48Å; M85-Y89 HydrophobicContact SD-CD1 3.96Å; M85-Y89 HydrophobicContact SD-CD2 4.26Å; M85-Y89 HydrophobicContact SD-CG 3.83Å; M85-P99 HydrophobicContact CE-CG 4.11Å; M85-P99 HydrophobicContact SD-CG 4.07Å; M85-K109 WeakPolarHBondContact O-CE 3.49Å; M85-K109 PolarHBondContact O-NZ 3.06Å; M85-H242 WeakPolarHBondContact CE-CE1 3.15Å; M85-H242 WeakPolarHBondContact CE-NE2 3.41Å
86I98.6Very high93.1Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-79.5-50.6-173-65.9166.1000110.1N84 K109 V184 M187 I231 P239 V309 E311 V317N84-I86 PolarHBondContact O-N 3.48Å; I86-K109 WeakPolarHBondContact O-CE 3.47Å; I86-V184 HydrophobicContact CD1-CG1 3.99Å; I86-V184 HydrophobicContact CG2-CG1 4.27Å; I86-M187 HydrophobicContact CG2-SD 4.42Å; I86-I231 HydrophobicContact CG2-CD1 4.35Å; I86-I231 HydrophobicContact CG2-CG2 3.86Å; I86-P239 HydrophobicContact CD1-CB 3.59Å; I86-V309 HydrophobicContact CB-CG2 4.01Å; I86-V309 WeakPolarHBondContact CB-O 3.47Å; I86-V309 HydrophobicContact CD1-CB 4.44Å; I86-V309 HydrophobicContact CD1-CG2 4.41Å; I86-V309 HydrophobicContact CG2-CG2 4.15Å; I86-V309 PolarHBondContact N-O 3.07Å; I86-E311 HydrophobicContact CD1-CG 4.34Å; I86-V317 HydrophobicContact CB-CG1 4.31Å; I86-V317 HydrophobicContact CG1-CB 4.38Å; I86-V317 HydrophobicContact CG1-CG1 4.08Å; I86-V317 HydrophobicContact CG1-CG2 3.8Å; I86-V317 HydrophobicContact CG2-CG1 4.34Å
87R98.1Very high92.2Very high52 Ų5231.3 Ų31.320%0.19616%0.155CC..EExtended strand (participates in β ladder)trans-166.6173.2-17558.9-174.2175.8169.12.2112.8S81 Y89 M187 V309S81-R87 WeakPolarHBondContact OG-CA 3.35Å; R87-Y89 VanDerWaalsContact C-N 3.26Å; R87-Y89 PolarHBondContact O-N 3.45Å; R87-M187 PolarHBondContact NE-SD 2.85Å; R87-M187 VanDerWaalsContact NE-SD 3.41Å; R87-M187 PolarHBondContact NH1-SD 3.44Å; R87-M187 VanDerWaalsContact NH1-SD 3.42Å; R87-M187 PolarHBondContact NH2-SD 3.1Å; R87-V309 HydrophobicContact CG-CG2 3.73Å
88H97.8Very high91.7Very high18 Ų1832.2 Ų32.28%0.08317%0.165CC..  trans68.56.6169.2-52.1159.7000116.7F76 S90 L248 L306 S307F76-H88 AromaticContact CZ-CD2 3.92Å; H88-S90 PolarHBondContact O-N 3.2Å; H88-L248 HydrophobicContact CB-CD1 4.14Å; H88-L306 WeakPolarHBondContact CB-O 3.29Å; H88-S307 PolarHBondContact ND1-O 2.73Å
89Y98Very high91.2Very high6 Ų634.1 Ų34.12%0.02418%0.178CC..  trans-70.2102.7173.6-168.7-122.7000110.3I45 A79 I80 S81 M85 R87 P91 P99 A244 V308I45-Y89 HydrophobicContact CD1-CE1 4.3Å; I45-Y89 HydrophobicContact CG2-CD1 4.11Å; I45-Y89 HydrophobicContact CG2-CE1 3.92Å; A79-Y89 CarbonylContact C-O 3.58Å; A79-Y89 VanDerWaalsContact CA-O 3.28Å; A79-Y89 WeakPolarHBondContact CA-O 3.02Å; I80-Y89 PolarHBondContact N-O 3.28Å; I80-Y89 VanDerWaalsContact O-CD1 3.24Å; I80-Y89 WeakPolarHBondContact O-CD1 3.41Å; S81-Y89 PolarHBondContact OG-N 2.92Å; M85-Y89 HydrophobicContact CE-CD2 4.35Å; M85-Y89 HydrophobicContact CE-CE2 4.5Å; M85-Y89 HydrophobicContact CE-CG 4.48Å; M85-Y89 HydrophobicContact SD-CD1 3.96Å; M85-Y89 HydrophobicContact SD-CD2 4.26Å; M85-Y89 HydrophobicContact SD-CG 3.83Å; R87-Y89 VanDerWaalsContact C-N 3.26Å; R87-Y89 PolarHBondContact O-N 3.45Å; Y89-P91 HydrophobicContact CD1-CG 4.31Å; Y89-P91 HydrophobicContact CE1-CB 4.41Å; Y89-P91 HydrophobicContact CE1-CG 3.71Å; Y89-P91 HydrophobicContact CE2-CB 3.99Å; Y89-P91 HydrophobicContact CE2-CG 4.14Å; Y89-P99 HydrophobicContact CE1-CG 4.09Å; Y89-P99 VanDerWaalsContact CE1-O 3.27Å; Y89-P99 WeakPolarHBondContact CE1-O 3.35Å; Y89-P99 PolarHBondContact OH-O 3.08Å; Y89-A244 HydrophobicContact CD2-CB 3.95Å; Y89-A244 HydrophobicContact CE2-CB 3.88Å; Y89-V308 HydrophobicContact CD2-CG1 4.34Å; Y89-V308 HydrophobicContact CD2-CG2 4.2Å
90S97.3Very high90.9Very high0 Ų036.1 Ų36.10%019%0.19CC..  trans-133.669.2175.9-169.20000108.9T78 H88 T247 R282T78-S90 WeakPolarHBondContact O-CB 3.34Å; T78-S90 PolarHBondContact O-OG 3.08Å; H88-S90 PolarHBondContact O-N 3.2Å; S90-T247 WeakPolarHBondContact O-CB 3.5Å; S90-T247 PolarHBondContact O-OG1 3.02Å; S90-R282 PolarHBondContact O-NH1 3.17Å; S90-R282 PolarHBondContact OG-NH1 2.75Å; S90-R282 VanDerWaalsContact OG-NH1 3.1Å; S90-R282 PolarHBondContact OG-NH2 2.94Å; S90-R282 VanDerWaalsContact OG-NH2 3.14Å
91P96Very high90.8Very high7 Ų740.7 Ų40.75%0.04521%0.211CC..  trans-61.6160-171.728.2-36.7000112.5I45 I46 Y89 R282I45-P91 HydrophobicContact CG2-CG 3.84Å; I46-P91 HydrophobicContact CG1-CB 3.77Å; I46-P91 HydrophobicContact CG1-CG 3.6Å; Y89-P91 HydrophobicContact CD1-CG 4.31Å; Y89-P91 HydrophobicContact CE1-CB 4.41Å; Y89-P91 HydrophobicContact CE1-CG 3.71Å; Y89-P91 HydrophobicContact CE2-CB 3.99Å; Y89-P91 HydrophobicContact CE2-CG 4.14Å; P91-R282 PolarHBondContact O-NH1 2.98Å
92I93.3Very high90.8Very high13 Ų1340.7 Ų40.77%0.06721%0.211CC..  trans-122.9153.1175.4-58.6173.3000106.5E95 T247 L281 R282I92-E95 WeakPolarHBondContact O-CB 3.34Å; I92-E95 PolarHBondContact O-N 3.49Å; I92-T247 HydrophobicContact CD1-CG2 3.73Å; I92-T247 HydrophobicContact CG1-CG2 3.85Å; I92-L281 HydrophobicContact CD1-CB 3.44Å; I92-L281 VanDerWaalsContact CD1-CB 3.44Å; I92-R282 HydrophobicContact CD1-CB 4.03Å; I92-R282 VanDerWaalsContact CD1-N 3.32Å; I92-R282 HydrophobicContact CG1-CB 3.97Å; I92-R282 HydrophobicContact CG1-CG 4.48Å
93D85.3Confident90.8Very high98 Ų9846.5 Ų46.552%0.52424%0.236SC..THydrogen-bonded Turntrans-45.9148.5174.4-70-19.7000113.2I46 E95I46-D93 WeakPolarHBondContact CG2-OD1 3.18Å; D93-E95 PolarHBondContact O-N 3.39Å
94E73.1Confident90.8Very high184 Ų18449.1 Ų49.186%0.8625%0.253SS*.THydrogen-bonded Turntrans65.814.4178.3-50.7178.7170.100114.8
95E68.2Low90.8Very high30 Ų3049.2 Ų49.214%0.1426%0.259CS..  trans-128.246.6-174.8-86.2168.4-168.700115.7I92 D93 S97 R245 R291I92-E95 WeakPolarHBondContact O-CB 3.34Å; I92-E95 PolarHBondContact O-N 3.49Å; D93-E95 PolarHBondContact O-N 3.39Å; E95-S97 PolarHBondContact O-N 3.4Å; E95-R245 IonicContact OE1-CZ 3.94Å; E95-R245 IonicContact OE1-NE 2.71Å; E95-R245 IonicContact OE1-NH1 3.02Å; E95-R245 PolarHBondContact OE1-NH1 2.89Å; E95-R245 WeakPolarHBondContact OE2-CD 3.4Å; E95-R291 IonicContact OE1-CZ 3.6Å; E95-R291 IonicContact OE1-NE 2.59Å; E95-R291 IonicContact OE1-NH1 3.04Å; E95-R291 PolarHBondContact OE1-NH1 3.06Å; E95-R291 IonicContact OE1-NH2 3.66Å; E95-R291 PolarHBondContact OE1-NH2 3.47Å; E95-R291 IonicContact OE2-CZ 4Å; E95-R291 IonicContact OE2-NH2 3.01Å; E95-R291 PolarHBondContact OE2-NH2 3.01Å
96E63.7Low90.8Very high141 Ų14150.1 Ų50.166%0.65926%0.264SS*.  trans-78.683.9-176.3-58.5-179.7-176.500112.5T100E96-T100 HydrophobicContact CB-CG2 4.18Å; E96-T100 VanDerWaalsContact CD-CG2 3.49Å; E96-T100 HydrophobicContact CG-CG2 3.64Å
97S79.8Confident90.8Very high46 Ų4650.1 Ų50.132%0.32226%0.264SS..SBendtrans-115.621.4163.459.80000113.3E95 H242 S243 A244 R245E95-S97 PolarHBondContact O-N 3.4Å; S97-H242 PolarHBondContact O-CE1 3.3Å; S97-S243 WeakPolarHBondContact CB-O 3.3Å; S97-S243 PolarHBondContact O-OG 3.2Å; S97-S243 PolarHBondContact OG-O 3.47Å; S97-A244 VanDerWaalsContact OG-CA 3.22Å; S97-A244 WeakPolarHBondContact OG-CA 3.43Å; S97-R245 PolarHBondContact OG-N 3.31Å
98G86.9Confident90.8Very high22 Ų2247.7 Ų47.723%0.22726%0.255CS..SBendtrans-148.6-175.4176.800000111.5T100G98-T100 PolarHBondContact O-N 2.92Å
99P89.8Confident90.9Very high40 Ų4046.8 Ų46.826%0.2625%0.251SS..  trans-66.1131.6179.527-30.1000110.8I45 V82 M85 Y89I45-P99 HydrophobicContact CD1-CB 4.4Å; I45-P99 HydrophobicContact CD1-CG 4.36Å; I45-P99 WeakPolarHBondContact CD1-O 3.23Å; V82-P99 HydrophobicContact CG2-CB 4.13Å; V82-P99 HydrophobicContact CG2-CG 3.46Å; V82-P99 VanDerWaalsContact CG2-CG 3.46Å; M85-P99 HydrophobicContact CE-CG 4.11Å; M85-P99 HydrophobicContact SD-CG 4.07Å; Y89-P99 HydrophobicContact CE1-CG 4.09Å; Y89-P99 VanDerWaalsContact CE1-O 3.27Å; Y89-P99 WeakPolarHBondContact CE1-O 3.35Å; Y89-P99 PolarHBondContact OH-O 3.08Å
100T92.4Very high90.9Very high41 Ų4146.5 Ų46.525%0.25225%0.249SC..  trans-92.1-31.9179.447.90000112.6N44 I45 E96 G98N44-T100 WeakPolarHBondContact CA-O 3.18Å; I45-T100 PolarHBondContact N-O 3.28Å; E96-T100 HydrophobicContact CB-CG2 4.18Å; E96-T100 VanDerWaalsContact CD-CG2 3.49Å; E96-T100 HydrophobicContact CG-CG2 3.64Å; G98-T100 PolarHBondContact O-N 2.92Å
101E96.4Very high91Very high97 Ų9746.6 Ų46.645%0.45325%0.25SC..BIsolated β-bridgetrans-122.8145.5-175.3-66.8176.2177.700111.8A43A43-E101 CarbonylContact O-C 3.58Å; A43-E101 WeakPolarHBondContact O-CA 3.49Å
102I98.3Very high91.2Very high0 Ų046.3 Ų46.30%025%0.248CC..  trans-80.6137.9170.7-64.4-177.8000109.7C39 G42 A43 I45 L48 I80 V108 V129C39-I102 HydrophobicContact CB-CD1 3.79Å; C39-I102 WeakPolarHBondContact SG-CD1 3.32Å; G42-I102 PolarHBondContact N-O 2.89Å; A43-I102 HydrophobicContact CB-CB 4.45Å; A43-I102 PolarHBondContact O-N 2.9Å; I45-I102 HydrophobicContact CD1-CG1 4.08Å; I45-I102 HydrophobicContact CG1-CD1 4.32Å; I45-I102 HydrophobicContact CG1-CG1 3.68Å; L48-I102 HydrophobicContact CD1-CD1 3.56Å; I80-I102 HydrophobicContact CG2-CD1 4.33Å; I102-V108 HydrophobicContact CG2-CG2 4.16Å; I102-V129 HydrophobicContact CG2-CB 4.36Å; I102-V129 HydrophobicContact CG2-CG1 4.32Å; I102-V129 HydrophobicContact CG2-CG2 3.46Å; I102-V129 VanDerWaalsContact CG2-CG2 3.46Å
103K98.4Very high91.4Very high129 Ų12945.7 Ų45.756%0.56125%0.245SC*.  trans-116.6152.2177.6-59.1-179.9-177.51780112G105 D106K103-G105 PolarHBondContact O-N 2.93Å; K103-D106 WeakPolarHBondContact CB-OD2 3.24Å; K103-D106 PolarHBondContact N-OD2 2.93Å; K103-D106 VanDerWaalsContact O-CB 3.28Å; K103-D106 WeakPolarHBondContact O-CB 3.42Å; K103-D106 PolarHBondContact O-N 3.43Å
104T98.4Very high92.1Very high84 Ų8441 Ų4152%0.51522%0.22SC..THydrogen-bonded Turntrans-54.7130.4169.5-58.40000110.2D41 D106D41-T104 WeakPolarHBondContact CB-OG1 3.4Å; D41-T104 WeakPolarHBondContact OD1-CB 3.31Å; D41-T104 PolarHBondContact OD1-N 3.06Å; D41-T104 PolarHBondContact OD1-OG1 3.49Å; T104-D106 VanDerWaalsContact C-N 3.34Å
105G98.3Very high93.3Very high23 Ų2332.4 Ų32.424%0.23718%0.18CC..THydrogen-bonded Turntrans87.6-9.4-176.400000114.5K103 L107 V128 V129 K141K103-G105 PolarHBondContact O-N 2.93Å; G105-L107 PolarHBondContact O-N 3.29Å; G105-V128 WeakPolarHBondContact O-CG1 3.26Å; G105-V129 WeakPolarHBondContact CA-O 3.04Å; G105-V129 PolarHBondContact N-O 2.99Å; G105-K141 PolarHBondContact O-NZ 3.48Å
106D98.7Very high94.7Very high22 Ų2231 Ų3112%0.11817%0.173CC..  trans-61.5137.4173.5-79-23.9000111N83 K103 T104 V108 V128 V129N83-D106 PolarHBondContact ND2-OD1 2.75Å; K103-D106 WeakPolarHBondContact CB-OD2 3.24Å; K103-D106 PolarHBondContact N-OD2 2.93Å; K103-D106 VanDerWaalsContact O-CB 3.28Å; K103-D106 WeakPolarHBondContact O-CB 3.42Å; K103-D106 PolarHBondContact O-N 3.43Å; T104-D106 VanDerWaalsContact C-N 3.34Å; D106-V108 HydrophobicContact CB-CG2 4.1Å; D106-V128 VanDerWaalsContact O-CA 3.29Å; D106-V128 WeakPolarHBondContact O-CA 3.37Å; D106-V129 PolarHBondContact O-N 3.47Å
107L98.8Very high96.3Very high0 Ų026 Ų260%015%0.151CC..EExtended strand (participates in β ladder)trans-83.1114.4166.2-176.3161.1000107.5V82 N83 G105 K109 T126 V128 K141 V144 I145 F316 V317V82-L107 CarbonylContact C-O 3.45Å; V82-L107 VanDerWaalsContact CA-O 3.29Å; V82-L107 WeakPolarHBondContact CA-O 3.43Å; N83-L107 PolarHBondContact N-O 3.43Å; N83-L107 PolarHBondContact OD1-N 3.34Å; N83-L107 VanDerWaalsContact OD1-N 3.09Å; G105-L107 PolarHBondContact O-N 3.29Å; L107-K109 HydrophobicContact CD2-CG 4.32Å; L107-T126 HydrophobicContact CD1-CG2 4.13Å; L107-T126 HydrophobicContact CD2-CG2 3.39Å; L107-T126 HydrophobicContact CG-CG2 3.64Å; L107-V128 HydrophobicContact CB-CG2 4.2Å; L107-V128 HydrophobicContact CG-CG2 4.36Å; L107-K141 HydrophobicContact CB-CD 4.47Å; L107-K141 HydrophobicContact CD1-CB 4.47Å; L107-K141 HydrophobicContact CD1-CG 4.36Å; L107-V144 HydrophobicContact CD1-CG1 3.95Å; L107-I145 HydrophobicContact CD1-CD1 3.79Å; L107-I145 HydrophobicContact CD1-CG1 3.83Å; L107-I145 HydrophobicContact CG-CD1 4.19Å; L107-F316 HydrophobicContact CD1-CB 4.24Å; L107-V317 WeakPolarHBondContact CD2-O 3.22Å
108V98.9Very high97Very high0 Ų023.8 Ų23.80%014%0.135CC..EExtended strand (participates in β ladder)trans-111130.6-173.8-177.40000109.7I80 V82 I102 D106 I110 T126 F127 V129I80-V108 HydrophobicContact CG2-CG1 3.65Å; V82-V108 HydrophobicContact CG1-CG2 4.16Å; I102-V108 HydrophobicContact CG2-CG2 4.16Å; D106-V108 HydrophobicContact CB-CG2 4.1Å; V108-I110 HydrophobicContact CG1-CG1 3.99Å; V108-T126 VanDerWaalsContact O-CA 3.31Å; V108-T126 WeakPolarHBondContact O-CA 3.31Å; V108-F127 HydrophobicContact CB-CE1 3.92Å; V108-F127 HydrophobicContact CB-CE2 4.39Å; V108-F127 HydrophobicContact CB-CZ 3.86Å; V108-F127 HydrophobicContact CG1-CE1 3.98Å; V108-F127 HydrophobicContact CG1-CZ 3.99Å; V108-F127 HydrophobicContact CG2-CZ 4.47Å; V108-F127 PolarHBondContact N-O 3.43Å; V108-F127 PolarHBondContact O-N 3.4Å; V108-F127 VanDerWaalsContact O-N 3.08Å; V108-V129 HydrophobicContact CG2-CG2 3.55Å
109K98.8Very high97.6Very high0 Ų023.2 Ų23.20%013%0.126CC..EExtended strand (participates in β ladder)trans-108.5125.4168.8-69.7172.8-65.5-57.30109.1I80 S81 M85 I86 L107 H125 T126 V317 Q319I80-K109 CarbonylContact C-O 3.47Å; I80-K109 VanDerWaalsContact CA-O 3.24Å; I80-K109 WeakPolarHBondContact CA-O 3.46Å; S81-K109 PolarHBondContact N-O 2.85Å; S81-K109 WeakPolarHBondContact O-CB 3.38Å; S81-K109 PolarHBondContact O-N 3.43Å; S81-K109 PolarHBondContact O-NZ 2.91Å; M85-K109 WeakPolarHBondContact O-CE 3.49Å; M85-K109 PolarHBondContact O-NZ 3.06Å; I86-K109 WeakPolarHBondContact O-CE 3.47Å; L107-K109 HydrophobicContact CD2-CG 4.32Å; K109-H125 WeakPolarHBondContact CA-O 3.48Å; K109-T126 HydrophobicContact CG-CG2 4.43Å; K109-T126 WeakPolarHBondContact CG-OG1 2.88Å; K109-V317 HydrophobicContact CD-CG1 4.44Å; K109-V317 WeakPolarHBondContact CD-O 3.39Å; K109-V317 WeakPolarHBondContact CE-O 3.5Å; K109-V317 PolarHBondContact NZ-O 3.25Å; K109-Q319 HydrophobicContact CD-CB 3.59Å; K109-Q319 HydrophobicContact CG-CB 3.98Å
110I98.9Very high98Very high0 Ų021.4 Ų21.40%012%0.115CC..EExtended strand (participates in β ladder)trans-115.2117.1175.2-56179000108.6L32 L35 I36 A79 I80 V108 G124 H125 F127L32-I110 HydrophobicContact CD1-CB 3.78Å; L32-I110 HydrophobicContact CD1-CD1 4.49Å; L32-I110 HydrophobicContact CD1-CG2 3.75Å; L35-I110 HydrophobicContact CB-CD1 3.93Å; L35-I110 HydrophobicContact CB-CG2 4.38Å; L35-I110 HydrophobicContact CD1-CG2 3.82Å; I36-I110 HydrophobicContact CG1-CD1 3.92Å; A79-I110 WeakPolarHBondContact O-CA 3.5Å; I80-I110 HydrophobicContact CG1-CG1 4.28Å; I80-I110 HydrophobicContact CG1-CG2 4.49Å; V108-I110 HydrophobicContact CG1-CG1 3.99Å; I110-G124 WeakPolarHBondContact O-CA 3.41Å; I110-H125 PolarHBondContact N-O 3.07Å; I110-H125 VanDerWaalsContact N-O 3.08Å; I110-H125 PolarHBondContact O-N 3.06Å; I110-H125 VanDerWaalsContact O-N 3.08Å; I110-F127 HydrophobicContact CD1-CE1 3.72Å; I110-F127 HydrophobicContact CD1-CZ 4.14Å; I110-F127 HydrophobicContact CG1-CE1 4.08Å
111D98.9Very high98.3Very high2 Ų219.5 Ų19.51%0.01110%0.103CC..EExtended strand (participates in β ladder)trans-99.7135.7166.5-70.9-93.3000110F76 T78 A79 V123 Q319 R321F76-D111 HydrophobicContact CD1-CB 3.79Å; F76-D111 HydrophobicContact CE1-CB 3.62Å; T78-D111 VanDerWaalsContact CA-O 3.31Å; T78-D111 WeakPolarHBondContact CA-O 3.33Å; A79-D111 HydrophobicContact CB-CB 4.37Å; A79-D111 PolarHBondContact N-O 2.71Å; A79-D111 PolarHBondContact O-N 3.41Å; D111-V123 WeakPolarHBondContact CA-O 3.35Å; D111-Q319 PolarHBondContact OD1-NE2 3.25Å; D111-Q319 PolarHBondContact OD2-OE1 3.39Å; D111-Q319 VanDerWaalsContact OD2-OE1 3.14Å; D111-R321 VanDerWaalsContact OD1-CD 3.31Å; D111-R321 WeakPolarHBondContact OD1-CD 2.97Å; D111-R321 IonicContact OD1-CZ 3.43Å; D111-R321 IonicContact OD1-NH1 2.66Å; D111-R321 PolarHBondContact OD1-NH1 3.07Å
112V98.9Very high98.4Very high0 Ų014.9 Ų14.90%08%0.082CC..EExtended strand (participates in β ladder)trans-156.5149.5172.365.20000110.3T28 V31 L32 I56 V123T28-V112 HydrophobicContact CG2-CG1 4.47Å; T28-V112 WeakPolarHBondContact CG2-O 3.31Å; V31-V112 HydrophobicContact CG1-CG2 4.11Å; L32-V112 HydrophobicContact CB-CG1 4.14Å; I56-V112 HydrophobicContact CD1-CG2 3.78Å; I56-V112 HydrophobicContact CG1-CG2 3.78Å; V112-V123 HydrophobicContact CG1-CG1 3.69Å; V112-V123 PolarHBondContact N-O 2.98Å; V112-V123 PolarHBondContact O-N 2.8Å
113G98.8Very high98.4Very high0 Ų014.9 Ų14.90%08%0.082CC..EExtended strand (participates in β ladder)trans-152.6149176.600000114.9I74 A75 F76 T121I74-G113 WeakPolarHBondContact CA-O 3.3Å; A75-G113 PolarHBondContact N-O 3.05Å; F76-G113 PolarHBondContact N-O 2.83Å; F76-G113 PolarHBondContact O-N 3.33Å; G113-T121 CarbonylContact C-O 3.55Å; G113-T121 WeakPolarHBondContact CA-O 3.34Å
114A98.9Very high98.4Very high0 Ų08.8 Ų8.80%06%0.055CC..EExtended strand (participates in β ladder)trans-120.7152.2174.200000111.4V27 T28 I56 V60 G73 A75 T121V27-A114 HydrophobicContact CB-CB 4.3Å; V27-A114 HydrophobicContact CG1-CB 3.96Å; T28-A114 WeakPolarHBondContact OG1-CB 3.42Å; T28-A114 PolarHBondContact OG1-N 3.13Å; T28-A114 VanDerWaalsContact OG1-N 3.08Å; I56-A114 HydrophobicContact CD1-CB 4.12Å; I56-A114 HydrophobicContact CG2-CB 3.84Å; V60-A114 HydrophobicContact CG1-CB 4.1Å; G73-A114 CarbonylContact O-C 3.6Å; G73-A114 WeakPolarHBondContact O-CA 3.28Å; A75-A114 VanDerWaalsContact CB-C 3.46Å; A75-A114 WeakPolarHBondContact CB-O 3.43Å; A114-T121 PolarHBondContact N-O 2.66Å; A114-T121 PolarHBondContact O-N 3.46Å
115H98.5Very high98.5Very high4 Ų45.5 Ų5.52%0.0193%0.034CC..EExtended strand (participates in β ladder)trans-124.6148.716577.288.1000111.4K72 G73 I74 A75 Y119 A120 Y277K72-H115 WeakPolarHBondContact CA-O 2.98Å; G73-H115 PolarHBondContact N-NE2 2.89Å; G73-H115 PolarHBondContact N-O 2.96Å; G73-H115 VanDerWaalsContact N-O 3.12Å; G73-H115 PolarHBondContact O-CD2 3.17Å; G73-H115 PolarHBondContact O-N 3.27Å; I74-H115 PolarHBondContact O-CD2 2.86Å; A75-H115 HydrophobicContact CB-CB 4.14Å; H115-Y119 WeakPolarHBondContact CA-O 3.34Å; H115-A120 HydrophobicContact CB-CB 4.12Å; H115-Y277 HydrophobicContact CB-CE2 3.81Å; H115-Y277 AromaticContact CD2-CD2 3.42Å; H115-Y277 VanDerWaalsContact CD2-CD2 3.42Å; H115-Y277 WeakPolarHBondContact CD2-CD2 3.34Å; H115-Y277 AromaticContact CD2-CE2 3.36Å; H115-Y277 WeakPolarHBondContact CD2-CE2 3.47Å; H115-Y277 AromaticContact CG-CD2 3.95Å; H115-Y277 AromaticContact CG-CE2 3.39Å; H115-Y277 AromaticContact ND1-CE2 3.84Å; H115-Y277 AromaticContact NE2-CD2 3.85Å; H115-Y277 AromaticContact NE2-CE2 3.81Å
116I98Very high98.5Very high0 Ų04.4 Ų4.40%02%0.023CC..EExtended strand (participates in β ladder)trans-126.1121.5169-64.3176.6000107.1K20 M23 L63 F64 M70 K72 G118 Y119K20-I116 HydrophobicContact CB-CG2 4.43Å; K20-I116 HydrophobicContact CG-CG2 4.22Å; M23-I116 HydrophobicContact CB-CD1 3.62Å; L63-I116 HydrophobicContact CD1-CD1 3.53Å; F64-I116 HydrophobicContact CD2-CD1 4.45Å; F64-I116 HydrophobicContact CD2-CG2 3.64Å; F64-I116 HydrophobicContact CE2-CD1 4Å; F64-I116 HydrophobicContact CE2-CG2 3.45Å; F64-I116 VanDerWaalsContact CE2-CG2 3.45Å; F64-I116 HydrophobicContact CZ-CG2 4.29Å; M70-I116 HydrophobicContact SD-CG2 3.71Å; K72-I116 HydrophobicContact CG-CG1 4.46Å; K72-I116 HydrophobicContact CG-CG2 4.25Å; I116-G118 PolarHBondContact O-N 3.2Å; I116-G118 VanDerWaalsContact O-N 3.17Å; I116-Y119 PolarHBondContact N-O 2.96Å; I116-Y119 WeakPolarHBondContact O-CB 3.48Å; I116-Y119 WeakPolarHBondContact O-CD2 3.41Å; I116-Y119 PolarHBondContact O-N 2.81Å
117D96.5Very high98.5Very high36 Ų364.4 Ų4.419%0.1932%0.022CC..THydrogen-bonded Turntrans53.734.5-179.5-164.437.1000113.8K20 M70 R71 Y119 K194K20-D117 HydrophobicContact CD-CB 4.04Å; K20-D117 IonicContact NZ-OD2 3.53Å; K20-D117 PolarHBondContact NZ-OD2 2.85Å; M70-D117 HydrophobicContact CE-CB 4.37Å; M70-D117 HydrophobicContact CG-CB 3.67Å; M70-D117 HydrophobicContact SD-CB 4.01Å; R71-D117 WeakPolarHBondContact O-CA 3.27Å; R71-D117 PolarHBondContact O-N 3.45Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 HydrophobicContact CB-CD2 4.19Å; D117-Y119 HydrophobicContact CB-CE2 4.41Å; D117-Y119 WeakPolarHBondContact O-CD2 3.34Å; D117-Y119 PolarHBondContact O-N 2.92Å; D117-K194 WeakPolarHBondContact O-CE 3.11Å; D117-K194 IonicContact OD2-NZ 2.72Å; D117-K194 PolarHBondContact OD2-NZ 2.87Å
118G96.6Very high98.5Very high0 Ų04.7 Ų4.70%02%0.023CC..THydrogen-bonded Turntrans77.95.4-175.900000115.6I116 K194 L195 Y277I116-G118 PolarHBondContact O-N 3.2Å; I116-G118 VanDerWaalsContact O-N 3.17Å; G118-K194 CarbonylContact O-C 3.58Å; G118-K194 WeakPolarHBondContact O-CA 3.2Å; G118-L195 PolarHBondContact O-N 3Å; G118-Y277 WeakPolarHBondContact CA-OH 3.42Å; G118-Y277 PolarHBondContact O-OH 3.45Å
119Y97.8Very high98.5Very high9 Ų95 Ų54%0.0353%0.025CC..EExtended strand (participates in β ladder)trans-93.997.9171.7-59.8-77.7000109.8V17 K20 Y21 S24 H115 I116 D117 K194V17-Y119 HydrophobicContact CB-CE1 4.34Å; V17-Y119 HydrophobicContact CG1-CD1 3.88Å; V17-Y119 HydrophobicContact CG1-CE1 3.46Å; V17-Y119 VanDerWaalsContact CG1-CE1 3.46Å; V17-Y119 HydrophobicContact CG2-CE1 4.14Å; V17-Y119 WeakPolarHBondContact CG2-OH 3.33Å; K20-Y119 HydrophobicContact CB-CD2 3.84Å; K20-Y119 HydrophobicContact CB-CG 4.26Å; K20-Y119 HydrophobicContact CD-CD2 3.57Å; K20-Y119 HydrophobicContact CD-CE2 3.61Å; K20-Y119 HydrophobicContact CG-CD2 4.34Å; Y21-Y119 HydrophobicContact CD2-CD1 4.1Å; Y21-Y119 HydrophobicContact CD2-CG 4.47Å; Y21-Y119 HydrophobicContact CE1-CD1 4.36Å; Y21-Y119 AromaticContact CE2-CD1 3.42Å; Y21-Y119 HydrophobicContact CE2-CD1 3.42Å; Y21-Y119 VanDerWaalsContact CE2-CD1 3.42Å; Y21-Y119 HydrophobicContact CE2-CE1 4.21Å; Y21-Y119 HydrophobicContact CE2-CG 4.16Å; Y21-Y119 AromaticContact CZ-CD1 3.58Å; S24-Y119 PolarHBondContact OG-O 2.78Å; H115-Y119 WeakPolarHBondContact CA-O 3.34Å; I116-Y119 PolarHBondContact N-O 2.96Å; I116-Y119 WeakPolarHBondContact O-CB 3.48Å; I116-Y119 WeakPolarHBondContact O-CD2 3.41Å; I116-Y119 PolarHBondContact O-N 2.81Å; D117-Y119 VanDerWaalsContact C-N 3.31Å; D117-Y119 HydrophobicContact CB-CD2 4.19Å; D117-Y119 HydrophobicContact CB-CE2 4.41Å; D117-Y119 WeakPolarHBondContact O-CD2 3.34Å; D117-Y119 PolarHBondContact O-N 2.92Å; Y119-K194 HydrophobicContact CD1-CB 4.26Å; Y119-K194 HydrophobicContact CD1-CG 4.39Å; Y119-K194 HydrophobicContact CE1-CB 3.8Å; Y119-K194 HydrophobicContact CE1-CD 4.32Å; Y119-K194 HydrophobicContact CE1-CG 3.98Å; Y119-K194 HydrophobicContact CE2-CD 4.04Å; Y119-K194 HydrophobicContact CE2-CG 4.11Å
120A98.4Very high98.4Very high3 Ų37 Ų73%0.0255%0.046CC..EExtended strand (participates in β ladder)trans-86.7142.3-17300000112.8Y21 A75 H115 I122 M192 Y277Y21-A120 WeakPolarHBondContact CE1-O 3.25Å; A75-A120 HydrophobicContact CB-CB 3.65Å; H115-A120 HydrophobicContact CB-CB 4.12Å; A120-I122 HydrophobicContact CB-CD1 4.38Å; A120-M192 HydrophobicContact CB-SD 4.47Å; A120-M192 WeakPolarHBondContact O-CE 3.46Å; A120-Y277 HydrophobicContact CB-CD1 4.28Å; A120-Y277 HydrophobicContact CB-CE1 3.51Å
121T98.9Very high98.4Very high0 Ų08.2 Ų8.20%06%0.056CC..EExtended strand (participates in β ladder)trans-131.4138.1166.357.30000109.1Y21 S24 A25 T28 G113 A114 T323 V334 T335Y21-T121 HydrophobicContact CD1-CG2 3.91Å; S24-T121 PolarHBondContact O-OG1 3.43Å; S24-T121 WeakPolarHBondContact OG-CG2 3.48Å; S24-T121 PolarHBondContact OG-OG1 3.4Å; A25-T121 WeakPolarHBondContact CA-OG1 3.33Å; A25-T121 HydrophobicContact CB-CG2 3.99Å; A25-T121 PolarHBondContact N-OG1 2.95Å; A25-T121 VanDerWaalsContact N-OG1 3.17Å; T28-T121 PolarHBondContact OG1-O 3.01Å; T28-T121 PolarHBondContact OG1-OG1 2.86Å; G113-T121 CarbonylContact C-O 3.55Å; G113-T121 WeakPolarHBondContact CA-O 3.34Å; A114-T121 PolarHBondContact N-O 2.66Å; A114-T121 PolarHBondContact O-N 3.46Å; T121-T323 WeakPolarHBondContact CA-OG1 3.27Å; T121-T323 HydrophobicContact CG2-CG2 3.94Å; T121-V334 HydrophobicContact CG2-CG2 4.06Å; T121-T335 HydrophobicContact CG2-CG2 4.33Å
122I98.9Very high98.3Very high0 Ų010.2 Ų10.20%07%0.07CC..EExtended strand (participates in β ladder)trans-127.4145.9178.4-51.289.9000108.3A75 F76 A120 M192 Y197 R321 T323 T335A75-I122 HydrophobicContact CB-CG1 4.45Å; F76-I122 HydrophobicContact CB-CG1 4.02Å; F76-I122 HydrophobicContact CB-CG2 3.91Å; F76-I122 HydrophobicContact CG-CG2 4.3Å; A120-I122 HydrophobicContact CB-CD1 4.38Å; I122-M192 HydrophobicContact CD1-CE 4.1Å; I122-M192 HydrophobicContact CD1-SD 3.4Å; I122-M192 WeakPolarHBondContact CD1-SD 3.26Å; I122-Y197 HydrophobicContact CD1-CE2 3.93Å; I122-Y197 HydrophobicContact CG1-CE2 4.25Å; I122-R321 VanDerWaalsContact CG2-NE 3.33Å; I122-T323 PolarHBondContact N-OG1 2.79Å; I122-T323 PolarHBondContact O-N 3.47Å; I122-T323 PolarHBondContact O-OG1 3Å; I122-T335 PolarHBondContact O-OG1 3.27Å
123V98.9Very high98.2Very high0 Ų014.4 Ų14.40%09%0.09CC..EExtended strand (participates in β ladder)trans-132.2144.2172.272.80000109.1T28 L32 D111 V112 R321T28-V123 HydrophobicContact CG2-CB 3.8Å; T28-V123 HydrophobicContact CG2-CG1 3.43Å; T28-V123 VanDerWaalsContact CG2-CG1 3.43Å; L32-V123 HydrophobicContact CB-CG1 3.86Å; L32-V123 HydrophobicContact CD1-CG1 4.47Å; L32-V123 HydrophobicContact CD2-CB 4.24Å; L32-V123 HydrophobicContact CD2-CG1 3.61Å; L32-V123 HydrophobicContact CD2-CG2 3.57Å; L32-V123 HydrophobicContact CG-CG1 4.17Å; D111-V123 WeakPolarHBondContact CA-O 3.35Å; V112-V123 HydrophobicContact CG1-CG1 3.69Å; V112-V123 PolarHBondContact N-O 2.98Å; V112-V123 PolarHBondContact O-N 2.8Å; V123-R321 WeakPolarHBondContact CA-O 3.38Å
124G98.7Very high98.1Very high1 Ų122.3 Ų22.31%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-135.4130.9168.100000109.1I110 R321I110-G124 WeakPolarHBondContact O-CA 3.41Å; G124-R321 PolarHBondContact N-O 2.74Å; G124-R321 PolarHBondContact O-N 2.86Å
125H98.8Very high98Very high16 Ų1626.1 Ų26.17%0.07415%0.153CC..EExtended strand (participates in β ladder)trans-137.8136.5-175.6-163.284.7000111.6L32 K109 I110 F320L32-H125 HydrophobicContact CD1-CB 4.15Å; L32-H125 HydrophobicContact CD2-CB 3.75Å; L32-H125 HydrophobicContact CG-CB 4.49Å; K109-H125 WeakPolarHBondContact CA-O 3.48Å; I110-H125 PolarHBondContact N-O 3.07Å; I110-H125 VanDerWaalsContact N-O 3.08Å; I110-H125 PolarHBondContact O-N 3.06Å; I110-H125 VanDerWaalsContact O-N 3.08Å; H125-F320 AromaticContact CE1-CE1 3.66Å; H125-F320 AromaticContact ND1-CD1 3.97Å; H125-F320 AromaticContact ND1-CE1 3.79Å
126T98.9Very high98Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-103.3135.4174.6-58.20000111.5L107 V108 K109 I145 A318 Q319L107-T126 HydrophobicContact CD1-CG2 4.13Å; L107-T126 HydrophobicContact CD2-CG2 3.39Å; L107-T126 HydrophobicContact CG-CG2 3.64Å; V108-T126 VanDerWaalsContact O-CA 3.31Å; V108-T126 WeakPolarHBondContact O-CA 3.31Å; K109-T126 HydrophobicContact CG-CG2 4.43Å; K109-T126 WeakPolarHBondContact CG-OG1 2.88Å; T126-I145 HydrophobicContact CG2-CD1 3.97Å; T126-I145 HydrophobicContact CG2-CG1 3.77Å; T126-A318 HydrophobicContact CG2-CB 3.88Å; T126-Q319 WeakPolarHBondContact CB-O 3.47Å; T126-Q319 PolarHBondContact N-O 2.93Å; T126-Q319 PolarHBondContact OG1-N 3.44Å; T126-Q319 PolarHBondContact OG1-O 3.01Å
127F98.7Very high98Very high22 Ų2231 Ų3110%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-146.3173.716865.1-75.9000109.6I36 C39 V108 I110 V129I36-F127 HydrophobicContact CB-CE1 4.36Å; I36-F127 HydrophobicContact CB-CZ 4.4Å; I36-F127 HydrophobicContact CD1-CD1 4.41Å; I36-F127 HydrophobicContact CG1-CD1 4.05Å; I36-F127 HydrophobicContact CG1-CE1 3.71Å; I36-F127 HydrophobicContact CG1-CZ 4.23Å; I36-F127 HydrophobicContact CG2-CD1 4.42Å; I36-F127 HydrophobicContact CG2-CD2 4.37Å; I36-F127 HydrophobicContact CG2-CE1 4.29Å; I36-F127 HydrophobicContact CG2-CE2 4.21Å; I36-F127 HydrophobicContact CG2-CG 4.48Å; I36-F127 HydrophobicContact CG2-CZ 4.18Å; C39-F127 HydrophobicContact CB-CE2 3.85Å; C39-F127 HydrophobicContact CB-CZ 3.49Å; C39-F127 VanDerWaalsContact CB-CZ 3.49Å; V108-F127 HydrophobicContact CB-CE1 3.92Å; V108-F127 HydrophobicContact CB-CE2 4.39Å; V108-F127 HydrophobicContact CB-CZ 3.86Å; V108-F127 HydrophobicContact CG1-CE1 3.98Å; V108-F127 HydrophobicContact CG1-CZ 3.99Å; V108-F127 HydrophobicContact CG2-CZ 4.47Å; V108-F127 PolarHBondContact N-O 3.43Å; V108-F127 PolarHBondContact O-N 3.4Å; V108-F127 VanDerWaalsContact O-N 3.08Å; I110-F127 HydrophobicContact CD1-CE1 3.72Å; I110-F127 HydrophobicContact CD1-CZ 4.14Å; I110-F127 HydrophobicContact CG1-CE1 4.08Å; F127-V129 HydrophobicContact CE2-CG2 4Å
128V98.8Very high98.1Very high5 Ų533.6 Ų33.63%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-115.4130.6172.5176.40000109.4G105 D106 L107 G130 A131 I137 I145 Y344G105-V128 WeakPolarHBondContact O-CG1 3.26Å; D106-V128 VanDerWaalsContact O-CA 3.29Å; D106-V128 WeakPolarHBondContact O-CA 3.37Å; L107-V128 HydrophobicContact CB-CG2 4.2Å; L107-V128 HydrophobicContact CG-CG2 4.36Å; V128-G130 PolarHBondContact O-N 2.91Å; V128-A131 HydrophobicContact CB-CB 4.16Å; V128-A131 WeakPolarHBondContact O-CB 3.27Å; V128-A131 PolarHBondContact O-N 3.08Å; V128-A131 VanDerWaalsContact O-N 3.07Å; V128-I137 HydrophobicContact CB-CD1 3.97Å; V128-I137 HydrophobicContact CB-CG1 3.79Å; V128-I137 HydrophobicContact CG1-CD1 3.51Å; V128-I137 HydrophobicContact CG1-CG1 3.91Å; V128-I137 HydrophobicContact CG2-CG1 4.08Å; V128-I137 HydrophobicContact CG2-CG2 4.21Å; V128-I145 HydrophobicContact CG2-CD1 3.67Å; V128-Y344 HydrophobicContact CG2-CE1 4.24Å
129V98.6Very high98.2Very high6 Ų635.5 Ų35.54%0.03621%0.211CC..THydrogen-bonded Turntrans-65.7126-178.8178.60000109.3C39 I102 G105 D106 V108 F127 A131C39-V129 HydrophobicContact CB-CG2 4.44Å; I102-V129 HydrophobicContact CG2-CB 4.36Å; I102-V129 HydrophobicContact CG2-CG1 4.32Å; I102-V129 HydrophobicContact CG2-CG2 3.46Å; I102-V129 VanDerWaalsContact CG2-CG2 3.46Å; G105-V129 WeakPolarHBondContact CA-O 3.04Å; G105-V129 PolarHBondContact N-O 2.99Å; D106-V129 PolarHBondContact O-N 3.47Å; V108-V129 HydrophobicContact CG2-CG2 3.55Å; F127-V129 HydrophobicContact CE2-CG2 4Å; V129-A131 VanDerWaalsContact C-N 3.33Å
130G97.6Very high98.3Very high43 Ų4338.2 Ų38.244%0.44322%0.222SC..THydrogen-bonded Turntrans81.34.9-17600000115.1V128 S132 N135V128-G130 PolarHBondContact O-N 2.91Å; G130-S132 PolarHBondContact O-N 3.49Å; G130-N135 PolarHBondContact O-ND2 2.93Å
131A98Very high98.3Very high25 Ų2540.1 Ų40.121%0.20723%0.229CC..  trans-63.8130.2170.800000110.8V128 V129 I137V128-A131 HydrophobicContact CB-CB 4.16Å; V128-A131 WeakPolarHBondContact O-CB 3.27Å; V128-A131 PolarHBondContact O-N 3.08Å; V128-A131 VanDerWaalsContact O-N 3.07Å; V129-A131 VanDerWaalsContact C-N 3.33Å; A131-I137 HydrophobicContact CB-CD1 3.91Å; A131-I137 HydrophobicContact CB-CG1 3.65Å
132S97.3Very high98.3Very high44 Ų4440.1 Ų40.131%0.30823%0.229SC..  trans-152.7176178.375.40000110.6G130 D134 N135 K136 L343G130-S132 PolarHBondContact O-N 3.49Å; S132-D134 PolarHBondContact O-N 3.49Å; S132-D134 PolarHBondContact OG-N 2.7Å; S132-N135 PolarHBondContact N-O 2.86Å; S132-N135 CarbonylContact O-C 3.47Å; S132-N135 PolarHBondContact O-N 3.01Å; S132-N135 VanDerWaalsContact O-O 3.14Å; S132-N135 PolarHBondContact OG-N 3.33Å; S132-K136 PolarHBondContact O-N 3Å; S132-L343 VanDerWaalsContact C-CD2 3.44Å
133Q96.9Very high98.3Very high88 Ų8840.6 Ų40.641%0.41123%0.232SC..SBendtrans-62.9-31.3174.2-70.2-62.3-32.500112.4K136 D340 S342 L343Q133-K136 VanDerWaalsContact O-CE 3.22Å; Q133-K136 WeakPolarHBondContact O-CE 3.24Å; Q133-K136 WeakPolarHBondContact O-CG 3.42Å; Q133-K136 VanDerWaalsContact OE1-CE 3.25Å; Q133-K136 VanDerWaalsContact OE1-NZ 3.16Å; Q133-D340 PolarHBondContact NE2-OD2 3.26Å; Q133-S342 PolarHBondContact NE2-OG 3.49Å; Q133-L343 HydrophobicContact CG-CD2 4.25Å
134D96.9Very high98.3Very high167 Ų16740.6 Ų40.689%0.89323%0.232SC*.SBendtrans-84.3-24.1176.9-59.3-40.5000112.2S132S132-D134 PolarHBondContact O-N 3.49Å; S132-D134 PolarHBondContact OG-N 2.7Å
135N97.1Very high98.3Very high79 Ų7940.5 Ų40.542%0.42223%0.231SC..SBendtrans-12370.4177.2-173.836.5000110.8G130 S132G130-N135 PolarHBondContact O-ND2 2.93Å; S132-N135 PolarHBondContact N-O 2.86Å; S132-N135 CarbonylContact O-C 3.47Å; S132-N135 PolarHBondContact O-N 3.01Å; S132-N135 VanDerWaalsContact O-O 3.14Å; S132-N135 PolarHBondContact OG-N 3.33Å
136K98.2Very high98.3Very high90 Ų9041.2 Ų41.239%0.39124%0.235SC..  trans-70.8138.1179-64.3-172.9179.3-160.70110.8S132 Q133 S342 L343S132-K136 PolarHBondContact O-N 3Å; Q133-K136 VanDerWaalsContact O-CE 3.22Å; Q133-K136 WeakPolarHBondContact O-CE 3.24Å; Q133-K136 WeakPolarHBondContact O-CG 3.42Å; Q133-K136 VanDerWaalsContact OE1-CE 3.25Å; Q133-K136 VanDerWaalsContact OE1-NZ 3.16Å; K136-S342 WeakPolarHBondContact CE-O 3.03Å; K136-S342 PolarHBondContact NZ-O 3.4Å; K136-L343 WeakPolarHBondContact CA-O 3.39Å
137I98.6Very high98.3Very high17 Ų1741.2 Ų41.29%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-80.8133176.2-53.1-51.3000109.2V128 A131 K141 A142 L343 Y344 K345V128-I137 HydrophobicContact CB-CD1 3.97Å; V128-I137 HydrophobicContact CB-CG1 3.79Å; V128-I137 HydrophobicContact CG1-CD1 3.51Å; V128-I137 HydrophobicContact CG1-CG1 3.91Å; V128-I137 HydrophobicContact CG2-CG1 4.08Å; V128-I137 HydrophobicContact CG2-CG2 4.21Å; A131-I137 HydrophobicContact CB-CD1 3.91Å; A131-I137 HydrophobicContact CB-CG1 3.65Å; I137-K141 HydrophobicContact CG2-CB 3.69Å; I137-A142 HydrophobicContact CG2-CB 4.41Å; I137-A142 WeakPolarHBondContact O-CB 3.45Å; I137-L343 PolarHBondContact N-O 3.04Å; I137-Y344 HydrophobicContact CB-CD1 3.79Å; I137-Y344 HydrophobicContact CB-CE1 4.14Å; I137-Y344 HydrophobicContact CG1-CD1 4.23Å; I137-Y344 HydrophobicContact CG1-CE1 4.09Å; I137-Y344 HydrophobicContact CG2-CD1 4.24Å; I137-Y344 WeakPolarHBondContact O-CA 3.46Å; I137-K345 PolarHBondContact O-N 3Å
138T98.4Very high98.3Very high90 Ų9040.2 Ų40.255%0.55223%0.231SC*.EExtended strand (participates in β ladder)trans-125.3171.8179.357.40000111.5K345T138-K345 WeakPolarHBondContact CA-O 3.36Å; T138-K345 HydrophobicContact CG2-CB 4.15Å
139G98.3Very high98.3Very high40 Ų4042.1 Ų42.141%0.41224%0.239SC..THydrogen-bonded Turntrans69.8-153.4174.400000113K141 A142 D143G139-K141 VanDerWaalsContact C-N 3.28Å; G139-K141 PolarHBondContact O-N 3.19Å; G139-K141 VanDerWaalsContact O-N 3.14Å; G139-A142 WeakPolarHBondContact O-CA 3.32Å; G139-A142 WeakPolarHBondContact O-CB 3.5Å; G139-A142 PolarHBondContact O-N 2.96Å; G139-D143 PolarHBondContact O-N 3.38Å
140R98.6Very high98.3Very high67 Ų6742.3 Ų42.325%0.25324%0.242SC..Hα-helixtrans-57.1-34-169.7-63.1-57.4-63.3149.4-9.3114.6D143 V144 F179 N180 T234 F316R140-D143 WeakPolarHBondContact CD-OD2 3.34Å; R140-D143 IonicContact CZ-OD2 2.66Å; R140-D143 IonicContact NE-OD2 2.81Å; R140-D143 IonicContact NH1-OD2 3.71Å; R140-D143 PolarHBondContact NH1-OD2 3.14Å; R140-D143 PolarHBondContact O-N 2.98Å; R140-V144 WeakPolarHBondContact O-CG1 3.41Å; R140-V144 PolarHBondContact O-N 2.88Å; R140-F179 PolarHBondContact NH1-O 3.27Å; R140-F179 VanDerWaalsContact NH1-O 3.16Å; R140-N180 PolarHBondContact NH2-O 2.66Å; R140-T234 HydrophobicContact CB-CG2 3.97Å; R140-T234 VanDerWaalsContact NH2-CA 3.3Å; R140-T234 VanDerWaalsContact NH2-CB 3.29Å; R140-T234 PolarHBondContact NH2-O 2.87Å; R140-T234 WeakPolarHBondContact O-CG2 3.48Å; R140-F316 HydrophobicContact CB-CD2 4.02Å; R140-F316 HydrophobicContact CB-CE2 4.35Å
141K98.7Very high98.3Very high42 Ų4240.3 Ų40.318%0.18322%0.221CC..Hα-helixtrans-63-43172.5-72.1-179.1-179.41760112.1G105 L107 I137 G139 V144 I145 F316G105-K141 PolarHBondContact O-NZ 3.48Å; L107-K141 HydrophobicContact CB-CD 4.47Å; L107-K141 HydrophobicContact CD1-CB 4.47Å; L107-K141 HydrophobicContact CD1-CG 4.36Å; I137-K141 HydrophobicContact CG2-CB 3.69Å; G139-K141 VanDerWaalsContact C-N 3.28Å; G139-K141 PolarHBondContact O-N 3.19Å; G139-K141 VanDerWaalsContact O-N 3.14Å; K141-V144 WeakPolarHBondContact O-CG1 3.3Å; K141-I145 WeakPolarHBondContact O-CB 3.49Å; K141-I145 WeakPolarHBondContact O-CD1 3.24Å; K141-I145 WeakPolarHBondContact O-CG1 3.05Å; K141-I145 PolarHBondContact O-N 2.86Å; K141-F316 HydrophobicContact CD-CD1 4.31Å; K141-F316 HydrophobicContact CD-CE1 4.19Å; K141-F316 HydrophobicContact CD-CZ 4.41Å; K141-F316 VanDerWaalsContact CE-CD1 3.46Å; K141-F316 HydrophobicContact CG-CB 4.45Å; K141-F316 HydrophobicContact CG-CD1 3.84Å; K141-F316 HydrophobicContact CG-CD2 3.87Å; K141-F316 HydrophobicContact CG-CE1 4.07Å; K141-F316 HydrophobicContact CG-CE2 4.06Å; K141-F316 HydrophobicContact CG-CG 3.75Å; K141-F316 HydrophobicContact CG-CZ 4.16Å
142A98.8Very high98.3Very high0 Ų039.2 Ų39.20%021%0.212CC..Hα-helixtrans-68-41176.200000111.5I137 G139 L146 K345I137-A142 HydrophobicContact CG2-CB 4.41Å; I137-A142 WeakPolarHBondContact O-CB 3.45Å; G139-A142 WeakPolarHBondContact O-CA 3.32Å; G139-A142 WeakPolarHBondContact O-CB 3.5Å; G139-A142 PolarHBondContact O-N 2.96Å; A142-L146 WeakPolarHBondContact O-CB 3.45Å; A142-L146 VanDerWaalsContact O-CG 3.28Å; A142-L146 WeakPolarHBondContact O-CG 3.22Å; A142-L146 PolarHBondContact O-N 3.2Å; A142-K345 WeakPolarHBondContact CB-O 3.45Å
143D98.8Very high98.4Very high10 Ų1038.9 Ų38.95%0.05321%0.206CC..Hα-helixtrans-57.1-52.6178.4-58.4-20.2000111.2G139 R140 L146 A147 S346 H348G139-D143 PolarHBondContact O-N 3.38Å; R140-D143 WeakPolarHBondContact CD-OD2 3.34Å; R140-D143 IonicContact CZ-OD2 2.66Å; R140-D143 IonicContact NE-OD2 2.81Å; R140-D143 IonicContact NH1-OD2 3.71Å; R140-D143 PolarHBondContact NH1-OD2 3.14Å; R140-D143 PolarHBondContact O-N 2.98Å; D143-L146 PolarHBondContact O-N 3.44Å; D143-A147 WeakPolarHBondContact O-CB 3.5Å; D143-A147 PolarHBondContact O-N 3.46Å; D143-S346 WeakPolarHBondContact OD1-CB 3.24Å; D143-S346 PolarHBondContact OD1-OG 3.25Å; D143-H348 IonicContact OD1-CD2 3.79Å; D143-H348 IonicContact OD2-CD2 2.6Å
144V98.9Very high98.5Very high0 Ų034.7 Ų34.70%019%0.186CC..Hα-helixtrans-70.3-36-174.771.50000112.9L107 R140 K141 A147 A148 V232 T234 F316 A318L107-V144 HydrophobicContact CD1-CG1 3.95Å; R140-V144 WeakPolarHBondContact O-CG1 3.41Å; R140-V144 PolarHBondContact O-N 2.88Å; K141-V144 WeakPolarHBondContact O-CG1 3.3Å; V144-A147 PolarHBondContact O-N 2.92Å; V144-A148 VanDerWaalsContact O-CB 3.31Å; V144-A148 WeakPolarHBondContact O-CB 3.21Å; V144-A148 PolarHBondContact O-N 2.8Å; V144-V232 HydrophobicContact CG2-CB 4.06Å; V144-V232 HydrophobicContact CG2-CG1 3.98Å; V144-V232 WeakPolarHBondContact CG2-O 3.41Å; V144-T234 HydrophobicContact CB-CG2 3.55Å; V144-T234 HydrophobicContact CG1-CG2 3.92Å; V144-T234 HydrophobicContact CG2-CG2 4.05Å; V144-F316 HydrophobicContact CG1-CB 4.08Å; V144-A318 HydrophobicContact CB-CB 4.43Å; V144-A318 HydrophobicContact CG1-CB 4.01Å; V144-A318 HydrophobicContact CG2-CB 4.02Å
145I98.9Very high98.5Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-66.7-46.5176.4-68.5172.2000110.4L107 T126 V128 K141 A147 A148 H149 A318 F320 F339 Y344L107-I145 HydrophobicContact CD1-CD1 3.79Å; L107-I145 HydrophobicContact CD1-CG1 3.83Å; L107-I145 HydrophobicContact CG-CD1 4.19Å; T126-I145 HydrophobicContact CG2-CD1 3.97Å; T126-I145 HydrophobicContact CG2-CG1 3.77Å; V128-I145 HydrophobicContact CG2-CD1 3.67Å; K141-I145 WeakPolarHBondContact O-CB 3.49Å; K141-I145 WeakPolarHBondContact O-CD1 3.24Å; K141-I145 WeakPolarHBondContact O-CG1 3.05Å; K141-I145 PolarHBondContact O-N 2.86Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A148 PolarHBondContact O-N 2.84Å; I145-H149 WeakPolarHBondContact O-CB 3.39Å; I145-H149 PolarHBondContact O-N 3.04Å; I145-A318 HydrophobicContact CB-CB 4.48Å; I145-A318 HydrophobicContact CG1-CB 3.88Å; I145-F320 HydrophobicContact CG2-CE2 4.24Å; I145-F320 HydrophobicContact CG2-CZ 4.18Å; I145-F320 WeakPolarHBondContact O-CE2 3.09Å; I145-F339 HydrophobicContact CG2-CE2 3.62Å; I145-F339 HydrophobicContact CG2-CZ 3.65Å; I145-Y344 HydrophobicContact CB-CD1 4.32Å; I145-Y344 HydrophobicContact CB-CE1 4.39Å; I145-Y344 HydrophobicContact CD1-CD1 3.9Å; I145-Y344 HydrophobicContact CD1-CE1 3.36Å; I145-Y344 HydrophobicContact CG1-CE1 4.45Å; I145-Y344 HydrophobicContact CG2-CD1 4.12Å; I145-Y344 HydrophobicContact CG2-CD2 4.28Å; I145-Y344 HydrophobicContact CG2-CE1 3.98Å; I145-Y344 HydrophobicContact CG2-CE2 4.12Å; I145-Y344 HydrophobicContact CG2-CG 4.28Å
146L98.8Very high98.6Very high31 Ų3123.1 Ų23.116%0.16212%0.124CC..Hα-helixtrans-66.9-36.6177.9-69.5171.2000111.8A142 D143 A150 F179 F339 P341A142-L146 WeakPolarHBondContact O-CB 3.45Å; A142-L146 VanDerWaalsContact O-CG 3.28Å; A142-L146 WeakPolarHBondContact O-CG 3.22Å; A142-L146 PolarHBondContact O-N 3.2Å; D143-L146 PolarHBondContact O-N 3.44Å; L146-A150 VanDerWaalsContact O-CB 3.24Å; L146-A150 WeakPolarHBondContact O-CB 3.4Å; L146-A150 PolarHBondContact O-N 3.1Å; L146-F179 HydrophobicContact CB-CD1 4.22Å; L146-F179 HydrophobicContact CB-CE1 3.69Å; L146-F179 HydrophobicContact CB-CZ 4.33Å; L146-F339 HydrophobicContact CD2-CE1 4.07Å; L146-F339 HydrophobicContact CD2-CZ 4.2Å; L146-P341 HydrophobicContact CD2-CB 4.09Å
147A98.8Very high98.5Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-61.5-51.317400000111.9D143 V144 I145 H149 A150 A151 V176 F179 C181 V232D143-A147 WeakPolarHBondContact O-CB 3.5Å; D143-A147 PolarHBondContact O-N 3.46Å; V144-A147 PolarHBondContact O-N 2.92Å; I145-A147 VanDerWaalsContact C-N 3.34Å; A147-H149 PolarHBondContact O-N 3.42Å; A147-A150 PolarHBondContact O-N 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 2.9Å; A147-V176 HydrophobicContact CB-CB 4.38Å; A147-V176 HydrophobicContact CB-CG1 4.3Å; A147-F179 HydrophobicContact CB-CB 3.65Å; A147-F179 HydrophobicContact CB-CD1 4.35Å; A147-F179 HydrophobicContact CB-CD2 3.75Å; A147-F179 HydrophobicContact CB-CE2 4.49Å; A147-F179 HydrophobicContact CB-CG 3.67Å; A147-C181 HydrophobicContact CB-CB 4.26Å; A147-V232 HydrophobicContact CB-CG1 4.13Å
148A98.8Very high98.5Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-62.1-42.5179.100000111.7V144 I145 A151 A152 V232 A318 F320V144-A148 VanDerWaalsContact O-CB 3.31Å; V144-A148 WeakPolarHBondContact O-CB 3.21Å; V144-A148 PolarHBondContact O-N 2.8Å; I145-A148 PolarHBondContact O-N 2.84Å; A148-A151 PolarHBondContact O-N 3.38Å; A148-A152 WeakPolarHBondContact O-CB 3.45Å; A148-A152 PolarHBondContact O-N 2.98Å; A148-V232 HydrophobicContact CB-CB 3.99Å; A148-V232 HydrophobicContact CB-CG2 3.64Å; A148-A318 HydrophobicContact CB-CB 3.93Å; A148-F320 HydrophobicContact CB-CD2 3.7Å; A148-F320 HydrophobicContact CB-CE2 4.06Å
149H98.8Very high98.4Very high45 Ų4516.1 Ų16.121%0.2089%0.085CC..Hα-helixtrans-65.7-44.1176.7-176-90.3000112.1I145 A147 A151 A152 E153 F320 F339I145-H149 WeakPolarHBondContact O-CB 3.39Å; I145-H149 PolarHBondContact O-N 3.04Å; A147-H149 PolarHBondContact O-N 3.42Å; H149-A151 VanDerWaalsContact C-N 3.32Å; H149-A151 PolarHBondContact O-N 2.86Å; H149-A152 PolarHBondContact O-N 2.89Å; H149-E153 VanDerWaalsContact CE1-CG 3.49Å; H149-E153 WeakPolarHBondContact CE1-CG 3.5Å; H149-E153 WeakPolarHBondContact O-CB 3.31Å; H149-E153 WeakPolarHBondContact O-CG 3.43Å; H149-E153 PolarHBondContact O-N 3.15Å; H149-F320 HydrophobicContact CB-CD2 4.08Å; H149-F320 HydrophobicContact CB-CE2 3.68Å; H149-F320 HydrophobicContact CB-CZ 3.97Å; H149-F339 HydrophobicContact CB-CD1 4.15Å; H149-F339 HydrophobicContact CB-CE1 3.94Å; H149-F339 HydrophobicContact CB-CZ 4.34Å; H149-F339 AromaticContact CD2-CD1 3.26Å; H149-F339 WeakPolarHBondContact CD2-CD1 3.44Å; H149-F339 AromaticContact CD2-CE1 3.96Å; H149-F339 AromaticContact CD2-CG 3.4Å; H149-F339 WeakPolarHBondContact CD2-CG 3.34Å; H149-F339 AromaticContact CE1-CD1 3.6Å; H149-F339 AromaticContact CG-CD1 3.38Å; H149-F339 AromaticContact CG-CE1 3.63Å; H149-F339 AromaticContact CG-CG 3.96Å; H149-F339 AromaticContact ND1-CD1 3.59Å; H149-F339 AromaticContact ND1-CE1 3.9Å; H149-F339 WeakPolarHBondContact NE2-CB 3.2Å; H149-F339 AromaticContact NE2-CD1 3.41Å; H149-F339 WeakPolarHBondContact NE2-CD1 3.07Å; H149-F339 AromaticContact NE2-CG 3.66Å
150A98.7Very high98.2Very high11 Ų1117.5 Ų17.59%0.0918%0.078CC..Hα-helixtrans-61.6-41.5176.600000111.7L146 A147 E153 A154 T175 F179 V350L146-A150 VanDerWaalsContact O-CB 3.24Å; L146-A150 WeakPolarHBondContact O-CB 3.4Å; L146-A150 PolarHBondContact O-N 3.1Å; A147-A150 PolarHBondContact O-N 3.3Å; A150-E153 PolarHBondContact O-N 2.89Å; A150-A154 WeakPolarHBondContact O-CB 3.17Å; A150-A154 PolarHBondContact O-N 3.46Å; A150-T175 HydrophobicContact CB-CG2 3.69Å; A150-F179 HydrophobicContact CB-CE2 4.3Å; A150-V350 HydrophobicContact CB-CG2 4.09Å
151A98.7Very high98Very high0 Ų017.9 Ų17.90%09%0.089CC..Hα-helixtrans-64.8-42.5175.800000112A147 A148 H149 E153 A154 V155 V172 T175 V176 I230A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 2.9Å; A148-A151 PolarHBondContact O-N 3.38Å; H149-A151 VanDerWaalsContact C-N 3.32Å; H149-A151 PolarHBondContact O-N 2.86Å; A151-E153 PolarHBondContact O-N 3.22Å; A151-A154 PolarHBondContact O-N 3.22Å; A151-V155 WeakPolarHBondContact O-CG2 3.38Å; A151-V155 PolarHBondContact O-N 3.42Å; A151-V172 HydrophobicContact CB-CG1 4.19Å; A151-V172 HydrophobicContact CB-CG2 4.26Å; A151-T175 HydrophobicContact CB-CG2 4.15Å; A151-V176 HydrophobicContact CB-CG1 4Å; A151-I230 HydrophobicContact CB-CG2 3.74Å
152A98.5Very high97.9Very high3 Ų318.3 Ų18.33%0.02511%0.105CC..Hα-helixtrans-59.2-44.9173.200000112.8A148 H149 A154 V155 I156 I230 F320 F322A148-A152 WeakPolarHBondContact O-CB 3.45Å; A148-A152 PolarHBondContact O-N 2.98Å; H149-A152 PolarHBondContact O-N 2.89Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-V155 PolarHBondContact O-N 2.94Å; A152-I156 PolarHBondContact O-N 3.09Å; A152-I230 HydrophobicContact CB-CB 4.48Å; A152-I230 HydrophobicContact CB-CG1 4.06Å; A152-F320 HydrophobicContact CB-CB 3.89Å; A152-F322 HydrophobicContact CB-CE1 3.89Å
153E98.2Very high97.8Very high37 Ų3720.2 Ų20.217%0.17312%0.117CC..Hα-helixtrans-68.5-31.8177.1-75.1-63.4127.100112.8H149 A150 A151 I156 R157 K333 L359H149-E153 VanDerWaalsContact CE1-CG 3.49Å; H149-E153 WeakPolarHBondContact CE1-CG 3.5Å; H149-E153 WeakPolarHBondContact O-CB 3.31Å; H149-E153 WeakPolarHBondContact O-CG 3.43Å; H149-E153 PolarHBondContact O-N 3.15Å; A150-E153 PolarHBondContact O-N 2.89Å; A151-E153 PolarHBondContact O-N 3.22Å; E153-I156 VanDerWaalsContact O-CG2 3.28Å; E153-I156 WeakPolarHBondContact O-CG2 3.39Å; E153-R157 WeakPolarHBondContact O-CG 3.45Å; E153-R157 PolarHBondContact O-NH1 2.83Å; E153-R157 IonicContact OE2-CZ 3.99Å; E153-R157 IonicContact OE2-NH1 3.3Å; E153-R157 PolarHBondContact OE2-NH1 2.83Å; E153-R157 IonicContact OE2-NH2 2.85Å; E153-K333 IonicContact OE1-NZ 4Å; E153-K333 PolarHBondContact OE1-NZ 2.87Å; E153-L359 HydrophobicContact CB-CD2 3.69Å
154A98.3Very high97.7Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-67.9-50171.600000110.9A150 A151 A152 I156 R157 L158 I171 L358 L359A150-A154 WeakPolarHBondContact O-CB 3.17Å; A150-A154 PolarHBondContact O-N 3.46Å; A151-A154 PolarHBondContact O-N 3.22Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.32Å; A154-R157 PolarHBondContact O-N 3.47Å; A154-R157 VanDerWaalsContact O-N 3.1Å; A154-L158 PolarHBondContact O-N 3.02Å; A154-I171 HydrophobicContact CB-CG2 3.74Å; A154-L358 HydrophobicContact CB-CD2 3.86Å; A154-L359 HydrophobicContact CB-CD2 4.24Å
155V98.3Very high97.7Very high0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-59.8-46.6-177.6168.90000111.9A151 A152 R157 L158 L159 V172 V228 I230A151-V155 WeakPolarHBondContact O-CG2 3.38Å; A151-V155 PolarHBondContact O-N 3.42Å; A152-V155 PolarHBondContact O-N 2.94Å; V155-R157 PolarHBondContact O-N 3Å; V155-R157 VanDerWaalsContact O-N 3.09Å; V155-L158 WeakPolarHBondContact O-CA 3.34Å; V155-L158 WeakPolarHBondContact O-CB 3.46Å; V155-L158 PolarHBondContact O-N 3.45Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CG 3.39Å; V155-L159 PolarHBondContact O-N 3.48Å; V155-L159 VanDerWaalsContact O-N 3.15Å; V155-V172 HydrophobicContact CG2-CG2 3.24Å; V155-V228 HydrophobicContact CG1-CG1 3.83Å; V155-I230 HydrophobicContact CB-CD1 4.4Å; V155-I230 HydrophobicContact CG2-CD1 3.95Å
156I97.8Very high97.6Very high3 Ų327 Ų272%0.01515%0.151CC..Hα-helixtrans-58.6-28.6179.6-169.9174000112.7A152 E153 A154 F322 V324 P331 K333 V363A152-I156 PolarHBondContact O-N 3.09Å; E153-I156 VanDerWaalsContact O-CG2 3.28Å; E153-I156 WeakPolarHBondContact O-CG2 3.39Å; A154-I156 PolarHBondContact O-N 3.32Å; I156-F322 HydrophobicContact CB-CE2 4.14Å; I156-F322 HydrophobicContact CB-CZ 4.06Å; I156-F322 HydrophobicContact CD1-CE2 4.15Å; I156-F322 HydrophobicContact CG1-CE2 4.27Å; I156-V324 HydrophobicContact CG1-CG2 4.44Å; I156-P331 HydrophobicContact CG1-CB 3.95Å; I156-P331 WeakPolarHBondContact O-CG 3.43Å; I156-K333 HydrophobicContact CD1-CB 3.65Å; I156-K333 HydrophobicContact CD1-CD 4.04Å; I156-K333 HydrophobicContact CD1-CG 4.35Å; I156-V363 HydrophobicContact CD1-CG1 3.84Å; I156-V363 HydrophobicContact CG1-CG1 3.89Å; I156-V363 HydrophobicContact CG2-CG2 4.16Å
157R97.3Very high97.5Very high29 Ų2928.1 Ų28.111%0.10915%0.154CC..Hα-helixtrans-80-19176.7-66172.7173.266-4.8113.2E153 A154 V155 R160 L358 L359 Q361 V363E153-R157 WeakPolarHBondContact O-CG 3.45Å; E153-R157 PolarHBondContact O-NH1 2.83Å; E153-R157 IonicContact OE2-CZ 3.99Å; E153-R157 IonicContact OE2-NH1 3.3Å; E153-R157 PolarHBondContact OE2-NH1 2.83Å; E153-R157 IonicContact OE2-NH2 2.85Å; A154-R157 PolarHBondContact O-N 3.47Å; A154-R157 VanDerWaalsContact O-N 3.1Å; V155-R157 PolarHBondContact O-N 3Å; V155-R157 VanDerWaalsContact O-N 3.09Å; R157-R160 WeakPolarHBondContact O-CD 3.25Å; R157-R160 PolarHBondContact O-NE 2.91Å; R157-L358 HydrophobicContact CB-CD1 3.65Å; R157-L358 HydrophobicContact CB-CG 4.11Å; R157-L358 WeakPolarHBondContact CD-O 3.45Å; R157-L358 PolarHBondContact NE-O 3.12Å; R157-L359 PolarHBondContact NE-O 3.07Å; R157-L359 PolarHBondContact NH2-O 3.45Å; R157-Q361 PolarHBondContact NE-O 2.81Å; R157-V363 HydrophobicContact CG-CG2 4.1Å
158L97.2Very high97.5Very high19 Ų1928.1 Ų28.110%0.09915%0.154CC..Hα-helixtrans-85.6-18.6173.7-65174.5000113.4A154 V155 R160 V163 A168 I171 L358A154-L158 PolarHBondContact O-N 3.02Å; V155-L158 WeakPolarHBondContact O-CA 3.34Å; V155-L158 WeakPolarHBondContact O-CB 3.46Å; V155-L158 PolarHBondContact O-N 3.45Å; L158-R160 PolarHBondContact O-N 2.77Å; L158-V163 HydrophobicContact CB-CG1 4.29Å; L158-V163 VanDerWaalsContact O-CB 3.29Å; L158-V163 WeakPolarHBondContact O-CB 3.02Å; L158-V163 WeakPolarHBondContact O-CG1 3.05Å; L158-A168 HydrophobicContact CD1-CB 4.29Å; L158-I171 HydrophobicContact CD1-CB 3.75Å; L158-I171 HydrophobicContact CD1-CG1 3.77Å; L158-I171 HydrophobicContact CD1-CG2 3.87Å; L158-L358 HydrophobicContact CD1-CD2 4.2Å; L158-L358 HydrophobicContact CD2-CD1 3.95Å; L158-L358 HydrophobicContact CD2-CD2 3.87Å; L158-L358 HydrophobicContact CG-CD1 4.38Å; L158-L358 HydrophobicContact CG-CD2 3.84Å
159L96.9Very high97.4Very high1 Ų128.8 Ų28.81%0.00516%0.159CC..  trans-71.168178.6-64.6177.2000111.4V155 I203 F220 V228 V324 L326 P331V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CG 3.39Å; V155-L159 PolarHBondContact O-N 3.48Å; V155-L159 VanDerWaalsContact O-N 3.15Å; L159-I203 HydrophobicContact CD2-CD1 4.44Å; L159-F220 HydrophobicContact CD2-CD1 3.66Å; L159-F220 HydrophobicContact CD2-CD2 4.07Å; L159-F220 HydrophobicContact CD2-CE1 3.43Å; L159-F220 VanDerWaalsContact CD2-CE1 3.43Å; L159-F220 HydrophobicContact CD2-CE2 3.87Å; L159-F220 HydrophobicContact CD2-CG 3.99Å; L159-F220 HydrophobicContact CD2-CZ 3.55Å; L159-V228 HydrophobicContact CD1-CG2 3.63Å; L159-V324 HydrophobicContact CD1-CG1 3.42Å; L159-V324 VanDerWaalsContact CD1-CG1 3.42Å; L159-V324 HydrophobicContact CD1-CG2 4.47Å; L159-L326 HydrophobicContact CB-CD1 4.28Å; L159-L326 HydrophobicContact CB-CD2 3.72Å; L159-L326 HydrophobicContact CD1-CD2 4.41Å; L159-P331 HydrophobicContact CB-CG 4.14Å; L159-P331 WeakPolarHBondContact O-CG 3.35Å
160R94.3Very high97.3Very high69 Ų6930.6 Ų30.626%0.2617%0.167SC..SBendtrans-129.1150.2-178.3-66.3179.2178.9153.52109.1R157 L158 G162 V163 P362R157-R160 WeakPolarHBondContact O-CD 3.25Å; R157-R160 PolarHBondContact O-NE 2.91Å; L158-R160 PolarHBondContact O-N 2.77Å; R160-G162 PolarHBondContact O-N 3.5Å; R160-V163 HydrophobicContact CB-CG2 4.23Å; R160-V163 PolarHBondContact O-N 2.98Å; R160-V163 VanDerWaalsContact O-N 3.13Å; R160-P362 PolarHBondContact NH2-O 3.37Å; R160-P362 VanDerWaalsContact NH2-O 3.13Å
161P94.6Very high97.3Very high75 Ų7530.1 Ų30.149%0.48716%0.163SC..THydrogen-bonded Turntrans-50.4131.4-179.3-28.836.6000112.7V163 F220 I222P161-V163 VanDerWaalsContact C-N 3.3Å; P161-V163 PolarHBondContact O-N 3.27Å; P161-F220 CarbonylContact C-O 3.49Å; P161-F220 VanDerWaalsContact CA-O 3.23Å; P161-F220 WeakPolarHBondContact CA-O 3.34Å; P161-I222 HydrophobicContact CB-CG1 4.2Å; P161-I222 HydrophobicContact CG-CD1 4.1Å; P161-I222 HydrophobicContact CG-CG1 3.32Å
162G95.8Very high97.3Very high51 Ų5130.1 Ų30.153%0.52616%0.164SC..THydrogen-bonded Turntrans81.3-6176.900000115.9R160 F220R160-G162 PolarHBondContact O-N 3.5Å; G162-F220 PolarHBondContact N-O 3.24Å
163V97.3Very high97.3Very high40 Ų4031.2 Ų31.224%0.24217%0.171CC..  trans-75.4136.3170.6178.30000109.2L158 R160 P161 K167 T219 F220L158-V163 HydrophobicContact CB-CG1 4.29Å; L158-V163 VanDerWaalsContact O-CB 3.29Å; L158-V163 WeakPolarHBondContact O-CB 3.02Å; L158-V163 WeakPolarHBondContact O-CG1 3.05Å; R160-V163 HydrophobicContact CB-CG2 4.23Å; R160-V163 PolarHBondContact O-N 2.98Å; R160-V163 VanDerWaalsContact O-N 3.13Å; P161-V163 VanDerWaalsContact C-N 3.3Å; P161-V163 PolarHBondContact O-N 3.27Å; V163-K167 HydrophobicContact CG1-CB 4.37Å; V163-T219 WeakPolarHBondContact O-CA 3.39Å; V163-F220 HydrophobicContact CB-CD2 3.94Å; V163-F220 HydrophobicContact CB-CE2 4.32Å; V163-F220 HydrophobicContact CG1-CD2 4.27Å; V163-F220 HydrophobicContact CG1-CE2 4.13Å; V163-F220 WeakPolarHBondContact O-CD2 3.1Å; V163-F220 PolarHBondContact O-N 3.11Å
164E97.8Very high97.3Very high70 Ų7032.3 Ų32.333%0.32718%0.175SC..BIsolated β-bridgetrans-81.4142.8-177-59.8-179.4-174.400112.1L166 K167 K217 C218 T219E164-L166 VanDerWaalsContact C-N 3.27Å; E164-L166 PolarHBondContact O-N 3.24Å; E164-K167 WeakPolarHBondContact O-CB 3.42Å; E164-K167 PolarHBondContact O-N 3.09Å; E164-K217 WeakPolarHBondContact OE1-CE 3.32Å; E164-K217 IonicContact OE1-NZ 2.66Å; E164-K217 PolarHBondContact OE1-NZ 2.91Å; E164-K217 WeakPolarHBondContact OE2-CE 3.47Å; E164-K217 IonicContact OE2-NZ 3.27Å; E164-K217 PolarHBondContact OE2-NZ 3Å; E164-C218 WeakPolarHBondContact CA-O 3.29Å; E164-T219 HydrophobicContact CG-CG2 4.19Å
165N97.6Very high97.3Very high1 Ų132.3 Ų32.31%0.00518%0.175CC..Hα-helixtrans-56.5-3917564.1-25.2000112.8K167 A168 S169 N202 I203 E216 C218 F220N165-K167 PolarHBondContact O-N 2.97Å; N165-A168 WeakPolarHBondContact O-CB 3.32Å; N165-A168 PolarHBondContact O-N 3.48Å; N165-A168 VanDerWaalsContact O-N 3.1Å; N165-S169 PolarHBondContact O-N 3.47Å; N165-N202 WeakPolarHBondContact CB-O 3.37Å; N165-N202 PolarHBondContact ND2-O 2.93Å; N165-I203 HydrophobicContact CB-CG1 4.05Å; N165-E216 PolarHBondContact ND2-O 3.33Å; N165-C218 VanDerWaalsContact CG-SG 3.56Å; N165-C218 PolarHBondContact N-O 3.17Å; N165-C218 PolarHBondContact ND2-SG 3.3Å; N165-C218 PolarHBondContact OD1-N 3.25Å; N165-C218 VanDerWaalsContact OD1-N 3.13Å; N165-C218 PolarHBondContact OD1-O 3.5Å; N165-F220 HydrophobicContact CB-CZ 4.5Å
166L96.8Very high97.3Very high83 Ų8332.4 Ų32.444%0.43518%0.176SC..Hα-helixtrans-60.5-33177.5-61.7-179.1000112.5E164 A168 S169 E170 V215E164-L166 VanDerWaalsContact C-N 3.27Å; E164-L166 PolarHBondContact O-N 3.24Å; L166-A168 VanDerWaalsContact C-N 3.35Å; L166-S169 PolarHBondContact O-N 2.85Å; L166-E170 PolarHBondContact O-N 2.88Å; L166-V215 HydrophobicContact CD2-CG1 3.94Å
167K97.8Very high97.4Very high54 Ų5437.9 Ų37.924%0.23520%0.202CC..Hα-helixtrans-66.2-38.8176.3-176.957.7-179.3178.60111.6V163 E164 N165 S169 E170 I171 E354V163-K167 HydrophobicContact CG1-CB 4.37Å; E164-K167 WeakPolarHBondContact O-CB 3.42Å; E164-K167 PolarHBondContact O-N 3.09Å; N165-K167 PolarHBondContact O-N 2.97Å; K167-S169 VanDerWaalsContact C-N 3.32Å; K167-S169 PolarHBondContact O-N 3.41Å; K167-E170 VanDerWaalsContact CD-OE2 3.24Å; K167-E170 WeakPolarHBondContact CD-OE2 3.38Å; K167-E170 IonicContact NZ-OE1 3.34Å; K167-E170 IonicContact NZ-OE2 3.97Å; K167-E170 PolarHBondContact NZ-OE2 2.9Å; K167-E170 PolarHBondContact O-N 3.4Å; K167-I171 HydrophobicContact CD-CG1 4.2Å; K167-I171 HydrophobicContact CG-CG1 4.43Å; K167-I171 WeakPolarHBondContact O-CB 3.43Å; K167-I171 VanDerWaalsContact O-CG1 3.3Å; K167-I171 WeakPolarHBondContact O-CG1 3.48Å; K167-I171 PolarHBondContact O-N 3.05Å; K167-E354 WeakPolarHBondContact CE-OE1 3.04Å; K167-E354 VanDerWaalsContact NZ-CD 3.35Å; K167-E354 IonicContact NZ-OE1 2.68Å; K167-E354 PolarHBondContact NZ-OE1 3.16Å; K167-E354 IonicContact NZ-OE2 3.62Å; K167-E354 PolarHBondContact NZ-OE2 2.91Å
168A97.7Very high97.4Very high0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-62.1-41.4174.900000111.4L158 N165 L166 I171 V172 I203 F220L158-A168 HydrophobicContact CD1-CB 4.29Å; N165-A168 WeakPolarHBondContact O-CB 3.32Å; N165-A168 PolarHBondContact O-N 3.48Å; N165-A168 VanDerWaalsContact O-N 3.1Å; L166-A168 VanDerWaalsContact C-N 3.35Å; A168-I171 PolarHBondContact O-N 3.49Å; A168-V172 WeakPolarHBondContact O-CG2 3.38Å; A168-V172 PolarHBondContact O-N 2.81Å; A168-I203 HydrophobicContact CB-CD1 4.03Å; A168-I203 HydrophobicContact CB-CG2 4.08Å; A168-F220 HydrophobicContact CB-CZ 4.28Å
169S97.3Very high97.5Very high13 Ų1337.4 Ų37.49%0.09120%0.202CC..Hα-helixtrans-63.5-43.6176.9-169.90000113.1N165 L166 K167 V172 S173 V204N165-S169 PolarHBondContact O-N 3.47Å; L166-S169 PolarHBondContact O-N 2.85Å; K167-S169 VanDerWaalsContact C-N 3.32Å; K167-S169 PolarHBondContact O-N 3.41Å; S169-V172 PolarHBondContact O-N 2.82Å; S169-S173 PolarHBondContact O-N 3.39Å; S169-S173 VanDerWaalsContact O-N 3.08Å; S169-S173 PolarHBondContact O-OG 2.76Å; S169-V204 WeakPolarHBondContact CB-O 3.18Å; S169-V204 PolarHBondContact OG-O 3.47Å
170E97.6Very high97.5Very high83 Ų8342.1 Ų42.139%0.38823%0.227SC..Hα-helixtrans-59.2-48.7174.5-173.1-159.3168.100111.5L166 K167 V172 S173 K174L166-E170 PolarHBondContact O-N 2.88Å; K167-E170 VanDerWaalsContact CD-OE2 3.24Å; K167-E170 WeakPolarHBondContact CD-OE2 3.38Å; K167-E170 IonicContact NZ-OE1 3.34Å; K167-E170 IonicContact NZ-OE2 3.97Å; K167-E170 PolarHBondContact NZ-OE2 2.9Å; K167-E170 PolarHBondContact O-N 3.4Å; E170-V172 PolarHBondContact O-N 2.77Å; E170-S173 PolarHBondContact O-N 2.9Å; E170-K174 PolarHBondContact O-N 3.45Å; E170-K174 WeakPolarHBondContact OE1-CE 3.46Å; E170-K174 IonicContact OE1-NZ 3.62Å; E170-K174 PolarHBondContact OE1-NZ 3.39Å
171I98.3Very high97.8Very high1 Ų138.8 Ų38.81%0.00522%0.215CC..Hα-helixtrans-64.9-41.4-177.7-71-68.9000111.5A154 L158 K167 A168 S173 K174 T175 E354 I355 L358A154-I171 HydrophobicContact CB-CG2 3.74Å; L158-I171 HydrophobicContact CD1-CB 3.75Å; L158-I171 HydrophobicContact CD1-CG1 3.77Å; L158-I171 HydrophobicContact CD1-CG2 3.87Å; K167-I171 HydrophobicContact CD-CG1 4.2Å; K167-I171 HydrophobicContact CG-CG1 4.43Å; K167-I171 WeakPolarHBondContact O-CB 3.43Å; K167-I171 VanDerWaalsContact O-CG1 3.3Å; K167-I171 WeakPolarHBondContact O-CG1 3.48Å; K167-I171 PolarHBondContact O-N 3.05Å; A168-I171 PolarHBondContact O-N 3.49Å; I171-S173 VanDerWaalsContact C-N 3.34Å; I171-S173 PolarHBondContact O-N 2.93Å; I171-K174 PolarHBondContact O-N 2.95Å; I171-T175 VanDerWaalsContact O-CB 3.32Å; I171-T175 WeakPolarHBondContact O-CB 3.35Å; I171-T175 PolarHBondContact O-N 3.25Å; I171-T175 PolarHBondContact O-OG1 3.21Å; I171-E354 HydrophobicContact CD1-CG 3.98Å; I171-I355 HydrophobicContact CD1-CG1 4.27Å; I171-I355 HydrophobicContact CG2-CG1 4.4Å; I171-L358 HydrophobicContact CG2-CD2 3.99Å
172V98.5Very high97.9Very high1 Ų138.8 Ų38.81%0.00621%0.208CC..Hα-helixtrans-59.2-48.6174.4168.60000110.3A151 V155 A168 S169 E170 K174 T175 V176 A183 F205 I230A151-V172 HydrophobicContact CB-CG1 4.19Å; A151-V172 HydrophobicContact CB-CG2 4.26Å; V155-V172 HydrophobicContact CG2-CG2 3.24Å; A168-V172 WeakPolarHBondContact O-CG2 3.38Å; A168-V172 PolarHBondContact O-N 2.81Å; S169-V172 PolarHBondContact O-N 2.82Å; E170-V172 PolarHBondContact O-N 2.77Å; V172-K174 PolarHBondContact O-N 2.99Å; V172-T175 PolarHBondContact O-N 3.42Å; V172-T175 VanDerWaalsContact O-N 3.13Å; V172-V176 HydrophobicContact CG1-CG1 4.45Å; V172-V176 WeakPolarHBondContact O-CG1 3.17Å; V172-V176 WeakPolarHBondContact O-CG2 3.49Å; V172-V176 PolarHBondContact O-N 3.46Å; V172-A183 HydrophobicContact CG1-CB 3.83Å; V172-F205 HydrophobicContact CB-CD1 3.92Å; V172-F205 HydrophobicContact CB-CE1 3.89Å; V172-F205 HydrophobicContact CG1-CD1 3.98Å; V172-F205 HydrophobicContact CG1-CE1 4.24Å; V172-F205 HydrophobicContact CG2-CD1 4.06Å; V172-F205 HydrophobicContact CG2-CE1 3.5Å; V172-F205 VanDerWaalsContact CG2-CE1 3.5Å; V172-F205 HydrophobicContact CG2-CZ 4.1Å; V172-I230 HydrophobicContact CG2-CD1 4.16Å
173S98.1Very high98.1Very high26 Ų2636.5 Ų36.518%0.18218%0.184CC..Hα-helixtrans-58.5-47.6-179.6-57.50000112.1S169 E170 I171 T175 V176 M177S169-S173 PolarHBondContact O-N 3.39Å; S169-S173 VanDerWaalsContact O-N 3.08Å; S169-S173 PolarHBondContact O-OG 2.76Å; E170-S173 PolarHBondContact O-N 2.9Å; I171-S173 VanDerWaalsContact C-N 3.34Å; I171-S173 PolarHBondContact O-N 2.93Å; S173-T175 VanDerWaalsContact C-N 3.34Å; S173-T175 PolarHBondContact O-N 3.41Å; S173-V176 WeakPolarHBondContact O-CG2 3.16Å; S173-M177 WeakPolarHBondContact O-CG 3.23Å; S173-M177 PolarHBondContact O-N 2.71Å
174K98.2Very high98.1Very high60 Ų6034.6 Ų34.626%0.26117%0.173SC..Hα-helixtrans-61.9-41.2175.4-69.9-178.5-174.3172.80112.2E170 I171 V172 V176 M177 E354 I355E170-K174 PolarHBondContact O-N 3.45Å; E170-K174 WeakPolarHBondContact OE1-CE 3.46Å; E170-K174 IonicContact OE1-NZ 3.62Å; E170-K174 PolarHBondContact OE1-NZ 3.39Å; I171-K174 PolarHBondContact O-N 2.95Å; V172-K174 PolarHBondContact O-N 2.99Å; K174-V176 PolarHBondContact O-N 2.97Å; K174-M177 PolarHBondContact O-N 3.28Å; K174-E354 IonicContact NZ-OE2 3.64Å; K174-E354 PolarHBondContact NZ-OE2 3.42Å; K174-I355 HydrophobicContact CB-CD1 3.49Å; K174-I355 VanDerWaalsContact CB-CD1 3.49Å
175T98.6Very high98.1Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-64.3-44.4-175.7-57.50000111.3A150 A151 I171 V172 S173 F179 V350 I355A150-T175 HydrophobicContact CB-CG2 3.69Å; A151-T175 HydrophobicContact CB-CG2 4.15Å; I171-T175 VanDerWaalsContact O-CB 3.32Å; I171-T175 WeakPolarHBondContact O-CB 3.35Å; I171-T175 PolarHBondContact O-N 3.25Å; I171-T175 PolarHBondContact O-OG1 3.21Å; V172-T175 PolarHBondContact O-N 3.42Å; V172-T175 VanDerWaalsContact O-N 3.13Å; S173-T175 VanDerWaalsContact C-N 3.34Å; S173-T175 PolarHBondContact O-N 3.41Å; T175-F179 WeakPolarHBondContact O-CD2 3.33Å; T175-V350 HydrophobicContact CG2-CG2 4.44Å; T175-I355 HydrophobicContact CG2-CG2 4.21Å; T175-I355 VanDerWaalsContact N-CD1 3.33Å; T175-I355 WeakPolarHBondContact OG1-CD1 3.38Å; T175-I355 WeakPolarHBondContact OG1-CG2 3.49Å
176V98.6Very high98.1Very high1 Ų134.5 Ų34.51%0.00618%0.175CC..Hα-helixtrans-76.9-29-176.3-57.70000112.6A147 A151 V172 S173 K174 D178 F179 C181 A183 V232A147-V176 HydrophobicContact CB-CB 4.38Å; A147-V176 HydrophobicContact CB-CG1 4.3Å; A151-V176 HydrophobicContact CB-CG1 4Å; V172-V176 HydrophobicContact CG1-CG1 4.45Å; V172-V176 WeakPolarHBondContact O-CG1 3.17Å; V172-V176 WeakPolarHBondContact O-CG2 3.49Å; V172-V176 PolarHBondContact O-N 3.46Å; S173-V176 WeakPolarHBondContact O-CG2 3.16Å; K174-V176 PolarHBondContact O-N 2.97Å; V176-D178 VanDerWaalsContact C-N 3.26Å; V176-D178 PolarHBondContact O-N 2.99Å; V176-F179 PolarHBondContact O-N 2.81Å; V176-F179 VanDerWaalsContact O-N 3.08Å; V176-C181 CarbonylContact C-O 3.59Å; V176-C181 HydrophobicContact CB-CB 4.32Å; V176-C181 PolarHBondContact O-N 3.49Å; V176-C181 VanDerWaalsContact O-N 3.08Å; V176-A183 HydrophobicContact CG2-CB 4.33Å; V176-V232 HydrophobicContact CB-CG1 3.82Å; V176-V232 HydrophobicContact CG1-CB 4.3Å; V176-V232 HydrophobicContact CG1-CG1 3.69Å; V176-V232 HydrophobicContact CG1-CG2 3.54Å
177M98.2Very high98.1Very high118 Ų11831 Ų3158%0.58116%0.156SC*.Hα-helixtrans-60.6-33.4175-77.9176.1-175.800112.8S173 K174 F179 N180 C181S173-M177 WeakPolarHBondContact O-CG 3.23Å; S173-M177 PolarHBondContact O-N 2.71Å; K174-M177 PolarHBondContact O-N 3.28Å; M177-F179 PolarHBondContact O-N 3.41Å; M177-F179 VanDerWaalsContact O-N 3.12Å; M177-N180 PolarHBondContact O-N 3.24Å; M177-C181 PolarHBondContact N-O 3.28Å
178D98.3Very high98Very high29 Ų2931.2 Ų31.216%0.15516%0.158CC..THydrogen-bonded Turntrans-61.3-21.8176.8-86.6-26.9000113.3V176 H348 K351 D352V176-D178 VanDerWaalsContact C-N 3.26Å; V176-D178 PolarHBondContact O-N 2.99Å; D178-H348 WeakPolarHBondContact O-CB 3.27Å; D178-H348 PolarHBondContact O-ND1 2.96Å; D178-K351 PolarHBondContact OD2-N 3.47Å; D178-D352 PolarHBondContact OD2-N 3.1Å; D178-D352 VanDerWaalsContact OD2-N 3.09Å
179F98.6Very high98Very high9 Ų931.2 Ų31.24%0.03916%0.158CC..THydrogen-bonded Turntrans-100.512.6176.1-62.3-97.8000113.4R140 L146 A147 A150 T175 V176 M177 C181 H348 V350R140-F179 PolarHBondContact NH1-O 3.27Å; R140-F179 VanDerWaalsContact NH1-O 3.16Å; L146-F179 HydrophobicContact CB-CD1 4.22Å; L146-F179 HydrophobicContact CB-CE1 3.69Å; L146-F179 HydrophobicContact CB-CZ 4.33Å; A147-F179 HydrophobicContact CB-CB 3.65Å; A147-F179 HydrophobicContact CB-CD1 4.35Å; A147-F179 HydrophobicContact CB-CD2 3.75Å; A147-F179 HydrophobicContact CB-CE2 4.49Å; A147-F179 HydrophobicContact CB-CG 3.67Å; A150-F179 HydrophobicContact CB-CE2 4.3Å; T175-F179 WeakPolarHBondContact O-CD2 3.33Å; V176-F179 PolarHBondContact O-N 2.81Å; V176-F179 VanDerWaalsContact O-N 3.08Å; M177-F179 PolarHBondContact O-N 3.41Å; M177-F179 VanDerWaalsContact O-N 3.12Å; F179-C181 PolarHBondContact O-N 3.24Å; F179-C181 PolarHBondContact O-SG 2.88Å; F179-H348 HydrophobicContact CB-CB 4.17Å; F179-H348 HydrophobicContact CD1-CB 3.63Å; F179-H348 HydrophobicContact CE1-CB 4.3Å; F179-H348 HydrophobicContact CG-CB 4.05Å; F179-V350 HydrophobicContact CE2-CG2 3.92Å; F179-V350 HydrophobicContact CZ-CG2 4.22Å
180N98.3Very high98Very high100 Ų10031.9 Ų31.954%0.53516%0.16SC..THydrogen-bonded Turntrans53.540.3-173.2-17040.1000111.6R140 M177R140-N180 PolarHBondContact NH2-O 2.66Å; M177-N180 PolarHBondContact O-N 3.24Å
181C98.8Very high98.1Very high0 Ų028.5 Ų28.50%014%0.144CC..  trans-123.8166.2-179.9-650000110A147 V176 M177 F179 V232 S233A147-C181 HydrophobicContact CB-CB 4.26Å; V176-C181 CarbonylContact C-O 3.59Å; V176-C181 HydrophobicContact CB-CB 4.32Å; V176-C181 PolarHBondContact O-N 3.49Å; V176-C181 VanDerWaalsContact O-N 3.08Å; M177-C181 PolarHBondContact N-O 3.28Å; F179-C181 PolarHBondContact O-N 3.24Å; F179-C181 PolarHBondContact O-SG 2.88Å; C181-V232 HydrophobicContact CB-CG1 3.58Å; C181-S233 CarbonylContact C-O 3.08Å; C181-S233 WeakPolarHBondContact CA-O 3.38Å; C181-S233 VanDerWaalsContact CB-O 3.28Å; C181-S233 WeakPolarHBondContact CB-O 3.45Å
182H98.7Very high98.1Very high74 Ų7428.7 Ų28.734%0.34315%0.145SC..EExtended strand (participates in β ladder)trans-126.4140.1179.9-60.589.5000110.9V232 S233 G235H182-V232 CarbonylContact O-C 3.53Å; H182-V232 WeakPolarHBondContact O-CA 3.48Å; H182-V232 WeakPolarHBondContact O-CG1 3.28Å; H182-S233 PolarHBondContact N-O 2.86Å; H182-S233 PolarHBondContact O-N 3.34Å; H182-G235 PolarHBondContact ND1-O 3.48Å
183A98.5Very high98Very high4 Ų432.2 Ų32.23%0.03316%0.16CC..EExtended strand (participates in β ladder)trans-69.4133.216800000108.2V172 V176 E185 F205 S206V172-A183 HydrophobicContact CG1-CB 3.83Å; V176-A183 HydrophobicContact CG2-CB 4.33Å; A183-E185 PolarHBondContact O-N 3.1Å; A183-F205 HydrophobicContact CB-CB 4.31Å; A183-S206 PolarHBondContact O-OG 3.28Å
184V98.6Very high97.9Very high0 Ų034.7 Ų34.70%017%0.168CC..PPolyproline II helixtrans-64.5132-175.91780000110I86 M187 I231 G237 P239 V317I86-V184 HydrophobicContact CD1-CG1 3.99Å; I86-V184 HydrophobicContact CG2-CG1 4.27Å; V184-M187 HydrophobicContact CB-CG 3.58Å; V184-M187 HydrophobicContact CB-SD 4.45Å; V184-M187 HydrophobicContact CG1-CE 3.85Å; V184-M187 HydrophobicContact CG1-CG 3.6Å; V184-M187 HydrophobicContact CG1-SD 3.91Å; V184-M187 WeakPolarHBondContact O-CG 3.31Å; V184-M187 PolarHBondContact O-N 3.03Å; V184-I231 HydrophobicContact CB-CB 4.43Å; V184-I231 HydrophobicContact CB-CG2 4.31Å; V184-I231 HydrophobicContact CG2-CB 4.3Å; V184-I231 HydrophobicContact CG2-CG2 3.75Å; V184-I231 PolarHBondContact N-O 3.47Å; V184-G237 CarbonylContact C-O 3.54Å; V184-G237 WeakPolarHBondContact CA-O 3.41Å; V184-P239 HydrophobicContact CG1-CB 4.27Å; V184-P239 HydrophobicContact CG1-CG 4.21Å; V184-V317 HydrophobicContact CG2-CG1 4.46Å
185E98Very high97.8Very high59 Ų5935.7 Ų35.728%0.27618%0.175SC..THydrogen-bonded Turntrans-60.6130-173.9-162.3-176.9-130.700111.9A183 M187 S206 T208 G237A183-E185 PolarHBondContact O-N 3.1Å; E185-M187 WeakPolarHBondContact O-CE 3.04Å; E185-M187 PolarHBondContact O-N 3.07Å; E185-S206 VanDerWaalsContact CA-O 3.31Å; E185-S206 WeakPolarHBondContact CA-O 3.45Å; E185-S206 WeakPolarHBondContact CG-O 3.27Å; E185-T208 HydrophobicContact CG-CG2 3.92Å; E185-G237 WeakPolarHBondContact CB-O 2.86Å; E185-G237 PolarHBondContact N-O 2.65Å
186G96.9Very high97.6Very high10 Ų1038 Ų3810%0.10319%0.189CC..THydrogen-bonded Turntrans69.68.6174.800000115.9F205 S206 Q211G186-F205 PolarHBondContact N-O 3.15Å; G186-S206 PolarHBondContact N-O 2.75Å; G186-Q211 PolarHBondContact O-NE2 3.42Å
187M96.1Very high97.5Very high8 Ų838.9 Ų38.94%0.03919%0.193CC..  trans-68.1146.9172.8-58.9-59.5100.300110.6I86 R87 V184 E185 F205 I231 P239I86-M187 HydrophobicContact CG2-SD 4.42Å; R87-M187 PolarHBondContact NE-SD 2.85Å; R87-M187 VanDerWaalsContact NE-SD 3.41Å; R87-M187 PolarHBondContact NH1-SD 3.44Å; R87-M187 VanDerWaalsContact NH1-SD 3.42Å; R87-M187 PolarHBondContact NH2-SD 3.1Å; V184-M187 HydrophobicContact CB-CG 3.58Å; V184-M187 HydrophobicContact CB-SD 4.45Å; V184-M187 HydrophobicContact CG1-CE 3.85Å; V184-M187 HydrophobicContact CG1-CG 3.6Å; V184-M187 HydrophobicContact CG1-SD 3.91Å; V184-M187 WeakPolarHBondContact O-CG 3.31Å; V184-M187 PolarHBondContact O-N 3.03Å; E185-M187 WeakPolarHBondContact O-CE 3.04Å; E185-M187 PolarHBondContact O-N 3.07Å; M187-F205 PolarHBondContact O-N 2.84Å; M187-I231 HydrophobicContact CG-CB 4.36Å; M187-I231 HydrophobicContact CG-CD1 4.13Å; M187-I231 HydrophobicContact SD-CD1 3.92Å; M187-P239 HydrophobicContact CE-CG 4.16Å
188Q96Very high97.4Very high60 Ų6035.4 Ų35.428%0.2818%0.176SC..EExtended strand (participates in β ladder)trans-131.2139.8-172-56.2-177-69.600112.9H190 I203 V204Q188-H190 WeakPolarHBondContact CB-NE2 3.22Å; Q188-I203 CarbonylContact C-O 3.55Å; Q188-I203 WeakPolarHBondContact CA-O 3.43Å; Q188-V204 HydrophobicContact CG-CB 4.41Å; Q188-V204 HydrophobicContact CG-CG1 4.2Å; Q188-V204 HydrophobicContact CG-CG2 3.9Å
189C98.1Very high97.3Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-94143.1157.9-57.80000108.4N202 I203 F205 W226 N227 D229C189-N202 CarbonylContact O-C 3.59Å; C189-N202 WeakPolarHBondContact O-CA 3.41Å; C189-N202 VanDerWaalsContact O-CB 3.27Å; C189-N202 WeakPolarHBondContact O-CB 3.47Å; C189-I203 HydrophobicContact CB-CB 4.01Å; C189-I203 HydrophobicContact CB-CD1 4Å; C189-I203 HydrophobicContact CB-CG1 4.2Å; C189-I203 PolarHBondContact N-O 3.25Å; C189-I203 PolarHBondContact O-N 3.42Å; C189-F205 WeakPolarHBondContact SG-CE2 3.35Å; C189-W226 HydrophobicContact CB-CE3 4.32Å; C189-W226 HydrophobicContact CB-CZ3 4.48Å; C189-N227 WeakPolarHBondContact CA-O 3.19Å; C189-N227 WeakPolarHBondContact CB-O 3.33Å; C189-D229 PolarHBondContact SG-N 3.29Å
190H97.8Very high97.2Very high26 Ų2641.5 Ų41.512%0.1221%0.206CC..EExtended strand (participates in β ladder)trans-122.1144.4176.8-70.6-87.5000111.4Q188 D198 W226 N227Q188-H190 WeakPolarHBondContact CB-NE2 3.22Å; H190-D198 HydrophobicContact CB-CB 4.26Å; H190-D198 IonicContact CD2-OD1 3.11Å; H190-D198 PolarHBondContact CD2-OD1 3.14Å; H190-D198 VanDerWaalsContact CD2-OD1 3.3Å; H190-D198 IonicContact CG-OD1 3.68Å; H190-D198 IonicContact ND1-OD1 3.41Å; H190-D198 IonicContact NE2-OD1 2.87Å; H190-W226 VanDerWaalsContact C-CE3 3.42Å; H190-N227 PolarHBondContact N-O 2.66Å; H190-N227 PolarHBondContact O-N 3.24Å
191Q98.4Very high97.1Very high13 Ų1338.3 Ų38.36%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-62.1142.9157.4-177.1-162.538.700108A199 K201 D224 V225 W226Q191-A199 HydrophobicContact CB-CB 4.05Å; Q191-A199 HydrophobicContact CG-CB 4.18Å; Q191-A199 VanDerWaalsContact O-CB 3.24Å; Q191-A199 WeakPolarHBondContact O-CB 3.32Å; Q191-A199 PolarHBondContact O-N 3.28Å; Q191-K201 HydrophobicContact CB-CB 3.91Å; Q191-K201 PolarHBondContact N-O 2.86Å; Q191-D224 PolarHBondContact NE2-OD1 2.9Å; Q191-V225 CarbonylContact C-O 3.52Å; Q191-V225 VanDerWaalsContact CA-O 3.27Å; Q191-V225 WeakPolarHBondContact CA-O 3.28Å; Q191-V225 WeakPolarHBondContact CG-O 3.5Å; Q191-W226 HydrophobicContact CB-CD2 4.26Å; Q191-W226 HydrophobicContact CB-CE3 4.48Å; Q191-W226 HydrophobicContact CB-CH2 4.33Å; Q191-W226 HydrophobicContact CB-CZ2 4.07Å
192M98Very high97.1Very high4 Ų439.8 Ų39.82%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-116.8149.6173.7-61.8-167.6-67.200109.6A120 I122 Y197 V225 N227 T323A120-M192 HydrophobicContact CB-SD 4.47Å; A120-M192 WeakPolarHBondContact O-CE 3.46Å; I122-M192 HydrophobicContact CD1-CE 4.1Å; I122-M192 HydrophobicContact CD1-SD 3.4Å; I122-M192 WeakPolarHBondContact CD1-SD 3.26Å; M192-Y197 WeakPolarHBondContact CG-O 3.35Å; M192-V225 HydrophobicContact CB-CG1 4.39Å; M192-V225 HydrophobicContact CE-CG1 3.92Å; M192-V225 PolarHBondContact N-O 3.17Å; M192-N227 HydrophobicContact CE-CB 3.81Å; M192-N227 HydrophobicContact CG-CB 3.95Å; M192-N227 HydrophobicContact SD-CB 3.64Å; M192-T323 HydrophobicContact CE-CG2 3.38Å
193K96.9Very high97.1Very high76 Ų7636.3 Ų36.333%0.3318%0.179SC..BIsolated β-bridgetrans-135.2176.5170.7-55.4-179.3-179.8-1800109.9L195 V196 A199K193-L195 PolarHBondContact O-N 2.77Å; K193-L195 VanDerWaalsContact O-N 3.16Å; K193-V196 HydrophobicContact CB-CB 4.03Å; K193-V196 HydrophobicContact CB-CG2 4.3Å; K193-V196 PolarHBondContact N-O 2.85Å; K193-V196 VanDerWaalsContact N-O 3.13Å; K193-V196 PolarHBondContact O-N 2.84Å; K193-V196 VanDerWaalsContact O-N 3.09Å; K193-V196 VanDerWaalsContact O-O 3.09Å; K193-A199 HydrophobicContact CD-CB 4.39Å; K193-A199 HydrophobicContact CG-CB 4.18Å
194K96.4Very high97Very high78 Ų7836.3 Ų36.334%0.33918%0.179SC..THydrogen-bonded Turntrans-57.5123174.1-168.7-171.1-171.41760109.3D117 G118 Y119 V196D117-K194 WeakPolarHBondContact O-CE 3.11Å; D117-K194 IonicContact OD2-NZ 2.72Å; D117-K194 PolarHBondContact OD2-NZ 2.87Å; G118-K194 CarbonylContact O-C 3.58Å; G118-K194 WeakPolarHBondContact O-CA 3.2Å; Y119-K194 HydrophobicContact CD1-CB 4.26Å; Y119-K194 HydrophobicContact CD1-CG 4.39Å; Y119-K194 HydrophobicContact CE1-CB 3.8Å; Y119-K194 HydrophobicContact CE1-CD 4.32Å; Y119-K194 HydrophobicContact CE1-CG 3.98Å; Y119-K194 HydrophobicContact CE2-CD 4.04Å; Y119-K194 HydrophobicContact CE2-CG 4.11Å; K194-V196 PolarHBondContact O-N 3.02Å; K194-V196 VanDerWaalsContact O-N 3.16Å
195L95Very high97Very high80 Ų8036.5 Ų36.542%0.41918%0.18SC..THydrogen-bonded Turntrans58.420.1-178.3-58.7171000115.1G118 K193 L275 A276G118-L195 PolarHBondContact O-N 3Å; K193-L195 PolarHBondContact O-N 2.77Å; K193-L195 VanDerWaalsContact O-N 3.16Å; L195-L275 HydrophobicContact CD2-CB 4.25Å; L195-L275 HydrophobicContact CD2-CD1 3.66Å; L195-L275 HydrophobicContact CD2-CD2 4.47Å; L195-L275 HydrophobicContact CD2-CG 4.35Å; L195-A276 WeakPolarHBondContact O-CB 3.27Å
196V96.1Very high96.9Very high49 Ų4935.3 Ų35.330%0.29718%0.178SC..BIsolated β-bridgetrans-128.8111.6175.5-177.30000108.4K193 K194 A199K193-V196 HydrophobicContact CB-CB 4.03Å; K193-V196 HydrophobicContact CB-CG2 4.3Å; K193-V196 PolarHBondContact N-O 2.85Å; K193-V196 VanDerWaalsContact N-O 3.13Å; K193-V196 PolarHBondContact O-N 2.84Å; K193-V196 VanDerWaalsContact O-N 3.09Å; K193-V196 VanDerWaalsContact O-O 3.09Å; K194-V196 PolarHBondContact O-N 3.02Å; K194-V196 VanDerWaalsContact O-N 3.16Å; V196-A199 HydrophobicContact CG1-CB 3.93Å
197Y96.7Very high96.8Very high19 Ų1936.4 Ų36.48%0.07518%0.183CC..SBendtrans-76.5-49-177.6-177.3-102.6000112.2F76 I122 M192 K250 Y277 P278 R321F76-Y197 HydrophobicContact CD2-CE2 4.36Å; F76-Y197 AromaticContact CD2-CZ 3.96Å; F76-Y197 WeakPolarHBondContact CD2-OH 3.41Å; F76-Y197 WeakPolarHBondContact CE2-OH 3.45Å; I122-Y197 HydrophobicContact CD1-CE2 3.93Å; I122-Y197 HydrophobicContact CG1-CE2 4.25Å; M192-Y197 WeakPolarHBondContact CG-O 3.35Å; Y197-K250 HydrophobicContact CD1-CD 3.75Å; Y197-K250 HydrophobicContact CE1-CD 4.24Å; Y197-Y277 AromaticContact CD2-CD1 3.88Å; Y197-Y277 HydrophobicContact CD2-CD1 3.88Å; Y197-Y277 HydrophobicContact CD2-CE1 4.49Å; Y197-Y277 HydrophobicContact CG-CD1 4.46Å; Y197-P278 HydrophobicContact CD1-CG 4.08Å; Y197-P278 HydrophobicContact CD2-CG 4.38Å; Y197-P278 HydrophobicContact CE1-CG 3.7Å; Y197-P278 HydrophobicContact CE2-CG 4Å; Y197-P278 HydrophobicContact CG-CG 4.39Å; Y197-R321 PolarHBondContact OH-NH2 3.25Å
198D95.6Very high96.7Very high45 Ų4538 Ų3824%0.24119%0.193CC..SBendtrans-116.698.7173.7-60.6-38.8000108.2H190 K250H190-D198 HydrophobicContact CB-CB 4.26Å; H190-D198 IonicContact CD2-OD1 3.11Å; H190-D198 PolarHBondContact CD2-OD1 3.14Å; H190-D198 VanDerWaalsContact CD2-OD1 3.3Å; H190-D198 IonicContact CG-OD1 3.68Å; H190-D198 IonicContact ND1-OD1 3.41Å; H190-D198 IonicContact NE2-OD1 2.87Å; D198-K250 WeakPolarHBondContact OD2-CE 3.39Å; D198-K250 IonicContact OD2-NZ 3.87Å; D198-K250 PolarHBondContact OD2-NZ 3.37Å
199A96.3Very high96.7Very high10 Ų1040.9 Ų40.98%0.08321%0.207CC..  trans-78174.1171.300000110.6Q191 K193 V196 K201Q191-A199 HydrophobicContact CB-CB 4.05Å; Q191-A199 HydrophobicContact CG-CB 4.18Å; Q191-A199 VanDerWaalsContact O-CB 3.24Å; Q191-A199 WeakPolarHBondContact O-CB 3.32Å; Q191-A199 PolarHBondContact O-N 3.28Å; K193-A199 HydrophobicContact CD-CB 4.39Å; K193-A199 HydrophobicContact CG-CB 4.18Å; V196-A199 HydrophobicContact CG1-CB 3.93Å; A199-K201 PolarHBondContact O-N 3.2Å
200E95.3Very high96.5Very high156 Ų15648 Ų4873%0.72924%0.24SC*.SBendtrans-55.5-44.2-172.3-174.7177.7-16600113.6
201K97.9Very high96.4Very high33 Ų3348.4 Ų48.414%0.14324%0.242CC..  trans-74.2132.3-179.4-60.6-175.1-173.8178.30111.2Q191 A199 C218 T219 D221 D224 W226Q191-K201 HydrophobicContact CB-CB 3.91Å; Q191-K201 PolarHBondContact N-O 2.86Å; A199-K201 PolarHBondContact O-N 3.2Å; K201-C218 HydrophobicContact CD-CB 4.44Å; K201-C218 HydrophobicContact CG-CB 4.15Å; K201-T219 WeakPolarHBondContact CE-O 3.32Å; K201-T219 PolarHBondContact NZ-O 3.23Å; K201-D221 IonicContact NZ-OD2 2.61Å; K201-D221 PolarHBondContact NZ-OD2 2.71Å; K201-D224 IonicContact NZ-OD1 2.7Å; K201-D224 IonicContact NZ-OD2 2.74Å; K201-D224 PolarHBondContact NZ-OD2 2.97Å; K201-W226 HydrophobicContact CB-CH2 3.61Å; K201-W226 HydrophobicContact CB-CZ2 3.71Å; K201-W226 HydrophobicContact CD-CZ2 4.05Å
202N97.9Very high96.1Very high32 Ų3253.5 Ų53.517%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-139.5164174.362.654.7000112.6N165 C189 V204N165-N202 WeakPolarHBondContact CB-O 3.37Å; N165-N202 PolarHBondContact ND2-O 2.93Å; C189-N202 CarbonylContact O-C 3.59Å; C189-N202 WeakPolarHBondContact O-CA 3.41Å; C189-N202 VanDerWaalsContact O-CB 3.27Å; C189-N202 WeakPolarHBondContact O-CB 3.47Å; N202-V204 WeakPolarHBondContact OD1-CG2 3.46Å
203I98.2Very high95.9Very high0 Ų061.6 Ų61.60%030%0.299CS..EExtended strand (participates in β ladder)trans-115127164.7-52.6167.2000105.7L159 N165 A168 Q188 C189 F205 F220 W226L159-I203 HydrophobicContact CD2-CD1 4.44Å; N165-I203 HydrophobicContact CB-CG1 4.05Å; A168-I203 HydrophobicContact CB-CD1 4.03Å; A168-I203 HydrophobicContact CB-CG2 4.08Å; Q188-I203 CarbonylContact C-O 3.55Å; Q188-I203 WeakPolarHBondContact CA-O 3.43Å; C189-I203 HydrophobicContact CB-CB 4.01Å; C189-I203 HydrophobicContact CB-CD1 4Å; C189-I203 HydrophobicContact CB-CG1 4.2Å; C189-I203 PolarHBondContact N-O 3.25Å; C189-I203 PolarHBondContact O-N 3.42Å; I203-F205 HydrophobicContact CB-CZ 4.4Å; I203-F205 HydrophobicContact CG2-CD1 4.18Å; I203-F205 HydrophobicContact CG2-CE1 3.56Å; I203-F205 HydrophobicContact CG2-CZ 3.78Å; I203-F220 HydrophobicContact CD1-CE1 3.75Å; I203-F220 HydrophobicContact CD1-CZ 3.61Å; I203-F220 HydrophobicContact CG1-CE1 3.95Å; I203-F220 HydrophobicContact CG1-CZ 3.94Å; I203-W226 HydrophobicContact CD1-CE3 4.49Å; I203-W226 HydrophobicContact CD1-CZ3 4.28Å; I203-W226 HydrophobicContact CG1-CH2 4.31Å; I203-W226 HydrophobicContact CG1-CZ3 3.87Å
204V97.9Very high95.8Very high5 Ų562.4 Ų62.43%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-108.7119.8175.4-170.80000109.6S169 Q188 N202 P207 Q211 V215S169-V204 WeakPolarHBondContact CB-O 3.18Å; S169-V204 PolarHBondContact OG-O 3.47Å; Q188-V204 HydrophobicContact CG-CB 4.41Å; Q188-V204 HydrophobicContact CG-CG1 4.2Å; Q188-V204 HydrophobicContact CG-CG2 3.9Å; N202-V204 WeakPolarHBondContact OD1-CG2 3.46Å; V204-P207 HydrophobicContact CB-CB 4.46Å; V204-P207 HydrophobicContact CG1-CB 3.82Å; V204-Q211 HydrophobicContact CG1-CB 4.46Å; V204-V215 HydrophobicContact CB-CG2 3.87Å; V204-V215 HydrophobicContact CG1-CG2 4.31Å; V204-V215 HydrophobicContact CG2-CG1 4.46Å; V204-V215 HydrophobicContact CG2-CG2 3.61Å
205F97.4Very high95.6Very high3 Ų360.5 Ų60.51%0.01331%0.305CS..SBendtrans-88.4135.6176.3-59-58.9000110.1V172 A183 G186 M187 C189 I203 D229 I230V172-F205 HydrophobicContact CB-CD1 3.92Å; V172-F205 HydrophobicContact CB-CE1 3.89Å; V172-F205 HydrophobicContact CG1-CD1 3.98Å; V172-F205 HydrophobicContact CG1-CE1 4.24Å; V172-F205 HydrophobicContact CG2-CD1 4.06Å; V172-F205 HydrophobicContact CG2-CE1 3.5Å; V172-F205 VanDerWaalsContact CG2-CE1 3.5Å; V172-F205 HydrophobicContact CG2-CZ 4.1Å; A183-F205 HydrophobicContact CB-CB 4.31Å; G186-F205 PolarHBondContact N-O 3.15Å; M187-F205 PolarHBondContact O-N 2.84Å; C189-F205 WeakPolarHBondContact SG-CE2 3.35Å; I203-F205 HydrophobicContact CB-CZ 4.4Å; I203-F205 HydrophobicContact CG2-CD1 4.18Å; I203-F205 HydrophobicContact CG2-CE1 3.56Å; I203-F205 HydrophobicContact CG2-CZ 3.78Å; F205-D229 WeakPolarHBondContact CE2-O 3.31Å; F205-I230 HydrophobicContact CE1-CD1 4.3Å; F205-I230 HydrophobicContact CE2-CD1 3.61Å; F205-I230 HydrophobicContact CZ-CD1 3.4Å; F205-I230 VanDerWaalsContact CZ-CD1 3.4Å
206S95.4Very high95.6Very high35 Ų3563 Ų6325%0.24532%0.315CS..SBendtrans43.360.4-179.9-63.70000111.2A183 E185 G186 T208A183-S206 PolarHBondContact O-OG 3.28Å; E185-S206 VanDerWaalsContact CA-O 3.31Å; E185-S206 WeakPolarHBondContact CA-O 3.45Å; E185-S206 WeakPolarHBondContact CG-O 3.27Å; G186-S206 PolarHBondContact N-O 2.75Å; S206-T208 PolarHBondContact O-N 3.02Å
207P95.4Very high95.6Very high32 Ų3266.9 Ų66.921%0.20833%0.328CS..  trans-60.7138.5-171.624.6-34.5000111.5V204 Q211 K212 V215V204-P207 HydrophobicContact CB-CB 4.46Å; V204-P207 HydrophobicContact CG1-CB 3.82Å; P207-Q211 HydrophobicContact CB-CB 3.79Å; P207-K212 HydrophobicContact CB-CG 4.04Å; P207-K212 HydrophobicContact CG-CG 3.81Å; P207-K212 VanDerWaalsContact O-CE 3.3Å; P207-K212 WeakPolarHBondContact O-CE 3.35Å; P207-V215 HydrophobicContact CB-CG2 4.4Å
208T94.9Very high95.7Very high41 Ų4167 Ų6725%0.25233%0.331SS..  trans-60.1164.3170610000111.2E185 S206 E210 Q211 K212E185-T208 HydrophobicContact CG-CG2 3.92Å; S206-T208 PolarHBondContact O-N 3.02Å; T208-E210 PolarHBondContact O-N 3.03Å; T208-E210 VanDerWaalsContact O-N 3.16Å; T208-Q211 PolarHBondContact O-N 3.42Å; T208-Q211 VanDerWaalsContact O-N 3.1Å; T208-Q211 WeakPolarHBondContact OG1-CB 3.4Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.34Å; T208-Q211 PolarHBondContact OG1-N 3.39Å; T208-Q211 PolarHBondContact OG1-OE1 2.87Å; T208-K212 WeakPolarHBondContact O-CG 3.38Å; T208-K212 PolarHBondContact O-N 2.76Å
209E94.5Very high95.8Very high122 Ų12267.2 Ų67.257%0.5733%0.334SS*.THydrogen-bonded Turntrans-58.7-27.9176.7-66.8-56125.400113.6K212 K213E209-K212 IonicContact OE1-NZ 2.65Å; E209-K212 PolarHBondContact OE1-NZ 2.88Å; E209-K213 WeakPolarHBondContact O-CE 3.36Å
210E94.6Very high95.9Very high148 Ų14866.7 Ų66.769%0.69233%0.33SS*.THydrogen-bonded Turntrans-74.3-49.1172.8-175.8172.1-173.200111T208 K212 K213 T214T208-E210 PolarHBondContact O-N 3.03Å; T208-E210 VanDerWaalsContact O-N 3.16Å; E210-K212 VanDerWaalsContact C-N 3.3Å; E210-K212 PolarHBondContact O-N 2.95Å; E210-K213 WeakPolarHBondContact O-CB 3.43Å; E210-K213 PolarHBondContact O-N 3.32Å; E210-T214 PolarHBondContact O-N 3.13Å; E210-T214 PolarHBondContact O-OG1 2.72Å
211Q95Very high95.9Very high35 Ų3562.5 Ų62.516%0.16431%0.313CS..Hα-helixtrans-61-36.5178-73.8167-39.200112.1G186 V204 P207 T208 K213 T214 V215G186-Q211 PolarHBondContact O-NE2 3.42Å; V204-Q211 HydrophobicContact CG1-CB 4.46Å; P207-Q211 HydrophobicContact CB-CB 3.79Å; T208-Q211 PolarHBondContact O-N 3.42Å; T208-Q211 VanDerWaalsContact O-N 3.1Å; T208-Q211 WeakPolarHBondContact OG1-CB 3.4Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.34Å; T208-Q211 PolarHBondContact OG1-N 3.39Å; T208-Q211 PolarHBondContact OG1-OE1 2.87Å; Q211-K213 PolarHBondContact O-N 3.22Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.36Å; Q211-T214 PolarHBondContact O-N 3.34Å; Q211-T214 PolarHBondContact O-OG1 3.45Å; Q211-V215 HydrophobicContact CB-CG2 4.03Å; Q211-V215 WeakPolarHBondContact O-CB 3.42Å; Q211-V215 WeakPolarHBondContact O-CG2 3.35Å; Q211-V215 PolarHBondContact O-N 3.02Å
212K93.4Very high95.8Very high120 Ų12064.8 Ų64.852%0.52233%0.325SS..Hα-helixtrans-56-24.8174.9-74.7176.1-172.9168.70113.5P207 T208 E209 E210P207-K212 HydrophobicContact CB-CG 4.04Å; P207-K212 HydrophobicContact CG-CG 3.81Å; P207-K212 VanDerWaalsContact O-CE 3.3Å; P207-K212 WeakPolarHBondContact O-CE 3.35Å; T208-K212 WeakPolarHBondContact O-CG 3.38Å; T208-K212 PolarHBondContact O-N 2.76Å; E209-K212 IonicContact OE1-NZ 2.65Å; E209-K212 PolarHBondContact OE1-NZ 2.88Å; E210-K212 VanDerWaalsContact C-N 3.3Å; E210-K212 PolarHBondContact O-N 2.95Å
213K94Very high95.7Very high175 Ų17564.9 Ų64.976%0.76133%0.326SS*.Hα-helixtrans-89.2-18.7178.6-59.7171.4-172.51730113E209 E210 Q211E209-K213 WeakPolarHBondContact O-CE 3.36Å; E210-K213 WeakPolarHBondContact O-CB 3.43Å; E210-K213 PolarHBondContact O-N 3.32Å; Q211-K213 PolarHBondContact O-N 3.22Å
214T93.8Very high95.6Very high93 Ų9365.4 Ų65.457%0.57133%0.329SS*.Hα-helixtrans-120.4-14.6-171.159.30000114.2E210 Q211 E216E210-T214 PolarHBondContact O-N 3.13Å; E210-T214 PolarHBondContact O-OG1 2.72Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.36Å; Q211-T214 PolarHBondContact O-N 3.34Å; Q211-T214 PolarHBondContact O-OG1 3.45Å; T214-E216 PolarHBondContact O-N 3.08Å; T214-E216 VanDerWaalsContact O-N 3.14Å
215V93.1Very high95.7Very high38 Ų3865.4 Ų65.423%0.2333%0.329CS..  trans-62.2115.9176.9168.70000109.4L166 V204 P207 Q211L166-V215 HydrophobicContact CD2-CG1 3.94Å; V204-V215 HydrophobicContact CB-CG2 3.87Å; V204-V215 HydrophobicContact CG1-CG2 4.31Å; V204-V215 HydrophobicContact CG2-CG1 4.46Å; V204-V215 HydrophobicContact CG2-CG2 3.61Å; P207-V215 HydrophobicContact CB-CG2 4.4Å; Q211-V215 HydrophobicContact CB-CG2 4.03Å; Q211-V215 WeakPolarHBondContact O-CB 3.42Å; Q211-V215 WeakPolarHBondContact O-CG2 3.35Å; Q211-V215 PolarHBondContact O-N 3.02Å
216E94.6Very high95.7Very high132 Ų13265.2 Ų65.262%0.61733%0.328SS*.  trans-82.7135.4175.5-63.4-173.2173.900110.7N165 T214 C218N165-E216 PolarHBondContact ND2-O 3.33Å; T214-E216 PolarHBondContact O-N 3.08Å; T214-E216 VanDerWaalsContact O-N 3.14Å; E216-C218 PolarHBondContact O-N 2.85Å
217K96.4Very high95.9Very high130 Ų13063.8 Ų63.857%0.56532%0.317SS*.  trans-72125.9171.5172.3173.9165.6152.70108.7E164E164-K217 WeakPolarHBondContact OE1-CE 3.32Å; E164-K217 IonicContact OE1-NZ 2.66Å; E164-K217 PolarHBondContact OE1-NZ 2.91Å; E164-K217 WeakPolarHBondContact OE2-CE 3.47Å; E164-K217 IonicContact OE2-NZ 3.27Å; E164-K217 PolarHBondContact OE2-NZ 3Å
218C97.7Very high96Very high22 Ų2262.2 Ų62.215%0.14931%0.307CS..  trans-138.7163.8173.570.60000111E164 N165 K201 E216E164-C218 WeakPolarHBondContact CA-O 3.29Å; N165-C218 VanDerWaalsContact CG-SG 3.56Å; N165-C218 PolarHBondContact N-O 3.17Å; N165-C218 PolarHBondContact ND2-SG 3.3Å; N165-C218 PolarHBondContact OD1-N 3.25Å; N165-C218 VanDerWaalsContact OD1-N 3.13Å; N165-C218 PolarHBondContact OD1-O 3.5Å; K201-C218 HydrophobicContact CD-CB 4.44Å; K201-C218 HydrophobicContact CG-CB 4.15Å; E216-C218 PolarHBondContact O-N 2.85Å
219T98Very high96.2Very high49 Ų4960.6 Ų60.630%0.30130%0.297SS..BIsolated β-bridgetrans-111.1150.8173.252.10000110.7V163 E164 K201V163-T219 WeakPolarHBondContact O-CA 3.39Å; E164-T219 HydrophobicContact CG-CG2 4.19Å; K201-T219 WeakPolarHBondContact CE-O 3.32Å; K201-T219 PolarHBondContact NZ-O 3.23Å
220F97.9Very high96.4Very high0 Ų054.9 Ų54.90%027%0.27CS..  trans-70.7143.5165.6-50.2-60.1000109.5L159 P161 G162 V163 N165 A168 I203 W226 L326L159-F220 HydrophobicContact CD2-CD1 3.66Å; L159-F220 HydrophobicContact CD2-CD2 4.07Å; L159-F220 HydrophobicContact CD2-CE1 3.43Å; L159-F220 VanDerWaalsContact CD2-CE1 3.43Å; L159-F220 HydrophobicContact CD2-CE2 3.87Å; L159-F220 HydrophobicContact CD2-CG 3.99Å; L159-F220 HydrophobicContact CD2-CZ 3.55Å; P161-F220 CarbonylContact C-O 3.49Å; P161-F220 VanDerWaalsContact CA-O 3.23Å; P161-F220 WeakPolarHBondContact CA-O 3.34Å; G162-F220 PolarHBondContact N-O 3.24Å; V163-F220 HydrophobicContact CB-CD2 3.94Å; V163-F220 HydrophobicContact CB-CE2 4.32Å; V163-F220 HydrophobicContact CG1-CD2 4.27Å; V163-F220 HydrophobicContact CG1-CE2 4.13Å; V163-F220 WeakPolarHBondContact O-CD2 3.1Å; V163-F220 PolarHBondContact O-N 3.11Å; N165-F220 HydrophobicContact CB-CZ 4.5Å; A168-F220 HydrophobicContact CB-CZ 4.28Å; I203-F220 HydrophobicContact CD1-CE1 3.75Å; I203-F220 HydrophobicContact CD1-CZ 3.61Å; I203-F220 HydrophobicContact CG1-CE1 3.95Å; I203-F220 HydrophobicContact CG1-CZ 3.94Å; F220-W226 HydrophobicContact CD1-CD2 4.28Å; F220-W226 AromaticContact CD1-CE2 3.5Å; F220-W226 HydrophobicContact CD1-CH2 4.09Å; F220-W226 AromaticContact CD1-CZ2 3.41Å; F220-W226 HydrophobicContact CD1-CZ2 3.41Å; F220-W226 VanDerWaalsContact CD1-CZ2 3.41Å; F220-W226 AromaticContact CD1-NE1 3.69Å; F220-W226 HydrophobicContact CE1-CD2 4.28Å; F220-W226 AromaticContact CE1-CE2 3.83Å; F220-W226 HydrophobicContact CE1-CE3 4.45Å; F220-W226 AromaticContact CE1-CH2 3.78Å; F220-W226 HydrophobicContact CE1-CH2 3.78Å; F220-W226 AromaticContact CE1-CZ2 3.58Å; F220-W226 HydrophobicContact CE1-CZ2 3.58Å; F220-W226 HydrophobicContact CE1-CZ3 4.22Å; F220-L326 HydrophobicContact CB-CD1 3.74Å; F220-L326 HydrophobicContact CG-CD1 4.45Å
221D97Very high96.6Very high68 Ų6848 Ų4836%0.36424%0.238SC..  trans-124.7158.5177.8-69.7-49000111.9K201 N223 D224 L326K201-D221 IonicContact NZ-OD2 2.61Å; K201-D221 PolarHBondContact NZ-OD2 2.71Å; D221-N223 PolarHBondContact O-N 3.33Å; D221-D224 PolarHBondContact N-OD2 2.83Å; D221-D224 WeakPolarHBondContact O-CB 3.4Å; D221-D224 PolarHBondContact O-N 2.97Å; D221-L326 WeakPolarHBondContact O-CB 3.45Å
222I95.1Very high96.8Very high80 Ų8046.3 Ų46.341%0.4123%0.231SC..THydrogen-bonded Turntrans-58139.7166.6-61.2-178.3000107.6P161 D224 P328P161-I222 HydrophobicContact CB-CG1 4.2Å; P161-I222 HydrophobicContact CG-CD1 4.1Å; P161-I222 HydrophobicContact CG-CG1 3.32Å; I222-D224 VanDerWaalsContact C-N 3.29Å; I222-D224 PolarHBondContact O-N 2.94Å; I222-P328 HydrophobicContact CG2-CG 4.08Å
223N94.7Very high97Very high34 Ų3440.6 Ų40.618%0.18221%0.206CC..THydrogen-bonded Turntrans78.9-4.3-178.3-51.1-22.3000116.7D11 V12 L13 D221 L326D11-N223 HydrophobicContact CB-CB 4.11Å; D11-N223 PolarHBondContact OD2-ND2 2.86Å; V12-N223 VanDerWaalsContact CG2-CA 3.4Å; V12-N223 HydrophobicContact CG2-CB 3.82Å; V12-N223 WeakPolarHBondContact CG2-O 3.47Å; L13-N223 WeakPolarHBondContact CD1-ND2 3.38Å; L13-N223 WeakPolarHBondContact CD2-OD1 3.45Å; L13-N223 WeakPolarHBondContact CG-ND2 3.08Å; L13-N223 WeakPolarHBondContact CG-OD1 3.44Å; D221-N223 PolarHBondContact O-N 3.33Å; N223-L326 PolarHBondContact N-O 2.92Å
224D97.5Very high97.3Very high12 Ų1232.7 Ų32.76%0.06417%0.172CC..  trans-60.8143.6170.3-74.6-17.7000110.6Q191 K201 D221 I222 W226 L326Q191-D224 PolarHBondContact NE2-OD1 2.9Å; K201-D224 IonicContact NZ-OD1 2.7Å; K201-D224 IonicContact NZ-OD2 2.74Å; K201-D224 PolarHBondContact NZ-OD2 2.97Å; D221-D224 PolarHBondContact N-OD2 2.83Å; D221-D224 WeakPolarHBondContact O-CB 3.4Å; D221-D224 PolarHBondContact O-N 2.97Å; I222-D224 VanDerWaalsContact C-N 3.29Å; I222-D224 PolarHBondContact O-N 2.94Å; D224-W226 VanDerWaalsContact CB-NE1 3.3Å; D224-W226 PolarHBondContact OD2-NE1 3.43Å; D224-L326 HydrophobicContact CB-CB 4.37Å; D224-L326 HydrophobicContact CB-CD1 3.97Å; D224-L326 HydrophobicContact CB-CG 4.05Å; D224-L326 WeakPolarHBondContact O-CB 3.41Å; D224-L326 WeakPolarHBondContact O-CG 3.32Å; D224-L326 PolarHBondContact O-N 3.22Å
225V98.3Very high97.5Very high4 Ų428.6 Ų28.62%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-111.1132.4163.4-176.50000107.5V12 Y21 Q191 M192 T323 V324 L325V12-V225 HydrophobicContact CG1-CG2 3.47Å; V12-V225 VanDerWaalsContact CG1-CG2 3.47Å; Y21-V225 HydrophobicContact CE1-CG1 3.85Å; Y21-V225 HydrophobicContact CE1-CG2 4.4Å; Y21-V225 HydrophobicContact CE2-CG2 3.78Å; Q191-V225 CarbonylContact C-O 3.52Å; Q191-V225 VanDerWaalsContact CA-O 3.27Å; Q191-V225 WeakPolarHBondContact CA-O 3.28Å; Q191-V225 WeakPolarHBondContact CG-O 3.5Å; M192-V225 HydrophobicContact CB-CG1 4.39Å; M192-V225 HydrophobicContact CE-CG1 3.92Å; M192-V225 PolarHBondContact N-O 3.17Å; V225-T323 HydrophobicContact CG1-CG2 3.8Å; V225-V324 WeakPolarHBondContact CA-O 3.39Å; V225-L325 HydrophobicContact CG1-CD1 4.21Å; V225-L325 HydrophobicContact CG2-CG 4.03Å
226W98.6Very high97.7Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-123.4134.2-178.4-76.283.1000110.5C189 H190 Q191 K201 I203 F220 D224 V228 T323 V324C189-W226 HydrophobicContact CB-CE3 4.32Å; C189-W226 HydrophobicContact CB-CZ3 4.48Å; H190-W226 VanDerWaalsContact C-CE3 3.42Å; Q191-W226 HydrophobicContact CB-CD2 4.26Å; Q191-W226 HydrophobicContact CB-CE3 4.48Å; Q191-W226 HydrophobicContact CB-CH2 4.33Å; Q191-W226 HydrophobicContact CB-CZ2 4.07Å; K201-W226 HydrophobicContact CB-CH2 3.61Å; K201-W226 HydrophobicContact CB-CZ2 3.71Å; K201-W226 HydrophobicContact CD-CZ2 4.05Å; I203-W226 HydrophobicContact CD1-CE3 4.49Å; I203-W226 HydrophobicContact CD1-CZ3 4.28Å; I203-W226 HydrophobicContact CG1-CH2 4.31Å; I203-W226 HydrophobicContact CG1-CZ3 3.87Å; F220-W226 HydrophobicContact CD1-CD2 4.28Å; F220-W226 AromaticContact CD1-CE2 3.5Å; F220-W226 HydrophobicContact CD1-CH2 4.09Å; F220-W226 AromaticContact CD1-CZ2 3.41Å; F220-W226 HydrophobicContact CD1-CZ2 3.41Å; F220-W226 VanDerWaalsContact CD1-CZ2 3.41Å; F220-W226 AromaticContact CD1-NE1 3.69Å; F220-W226 HydrophobicContact CE1-CD2 4.28Å; F220-W226 AromaticContact CE1-CE2 3.83Å; F220-W226 HydrophobicContact CE1-CE3 4.45Å; F220-W226 AromaticContact CE1-CH2 3.78Å; F220-W226 HydrophobicContact CE1-CH2 3.78Å; F220-W226 AromaticContact CE1-CZ2 3.58Å; F220-W226 HydrophobicContact CE1-CZ2 3.58Å; F220-W226 HydrophobicContact CE1-CZ3 4.22Å; D224-W226 VanDerWaalsContact CB-NE1 3.3Å; D224-W226 PolarHBondContact OD2-NE1 3.43Å; W226-V228 HydrophobicContact CB-CG2 4.25Å; W226-T323 WeakPolarHBondContact O-CA 3.41Å; W226-V324 HydrophobicContact CB-CG1 3.78Å; W226-V324 PolarHBondContact N-O 2.89Å; W226-V324 PolarHBondContact O-N 2.89Å
227N98.7Very high97.8Very high4 Ų423.7 Ų23.72%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-90.299.7158.7169.950.4000107.7C189 H190 M192 R321C189-N227 WeakPolarHBondContact CA-O 3.19Å; C189-N227 WeakPolarHBondContact CB-O 3.33Å; H190-N227 PolarHBondContact N-O 2.66Å; H190-N227 PolarHBondContact O-N 3.24Å; M192-N227 HydrophobicContact CE-CB 3.81Å; M192-N227 HydrophobicContact CG-CB 3.95Å; M192-N227 HydrophobicContact SD-CB 3.64Å; N227-R321 PolarHBondContact ND2-NE 3.37Å; N227-R321 PolarHBondContact ND2-NH2 2.77Å; N227-R321 WeakPolarHBondContact OD1-CG 3.35Å; N227-R321 PolarHBondContact OD1-NE 2.89Å
228V98.7Very high97.8Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-84.4125.7176-179.20000107.9V155 L159 W226 I230 R321 F322 V324V155-V228 HydrophobicContact CG1-CG1 3.83Å; L159-V228 HydrophobicContact CD1-CG2 3.63Å; W226-V228 HydrophobicContact CB-CG2 4.25Å; V228-I230 HydrophobicContact CG1-CD1 3.91Å; V228-I230 HydrophobicContact CG1-CG1 4.01Å; V228-R321 CarbonylContact O-C 3.6Å; V228-R321 WeakPolarHBondContact O-CA 3.18Å; V228-R321 VanDerWaalsContact O-CG 3.27Å; V228-R321 WeakPolarHBondContact O-CG 3.33Å; V228-F322 HydrophobicContact CB-CD1 4.43Å; V228-F322 HydrophobicContact CB-CD2 4.1Å; V228-F322 HydrophobicContact CB-CE1 4.07Å; V228-F322 HydrophobicContact CB-CE2 3.73Å; V228-F322 HydrophobicContact CB-CG 4.44Å; V228-F322 HydrophobicContact CB-CZ 3.72Å; V228-F322 HydrophobicContact CG1-CE1 3.81Å; V228-F322 HydrophobicContact CG1-CE2 4.09Å; V228-F322 HydrophobicContact CG1-CZ 3.55Å; V228-F322 HydrophobicContact CG2-CD2 4.29Å; V228-F322 HydrophobicContact CG2-CE2 3.73Å; V228-F322 HydrophobicContact CG2-CZ 4.06Å; V228-F322 PolarHBondContact N-O 2.95Å; V228-F322 PolarHBondContact O-N 3.47Å; V228-V324 HydrophobicContact CG2-CG1 3.79Å
229D98.6Very high97.8Very high7 Ų725.6 Ų25.64%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-132.497.1-179-1682.9000110.1C189 F205 I231 Q319 R321C189-D229 PolarHBondContact SG-N 3.29Å; F205-D229 WeakPolarHBondContact CE2-O 3.31Å; D229-I231 WeakPolarHBondContact OD1-CG1 3.49Å; D229-Q319 WeakPolarHBondContact OD1-CG 3.39Å; D229-Q319 PolarHBondContact OD1-NE2 3.33Å; D229-R321 HydrophobicContact CB-CB 4.24Å; D229-R321 HydrophobicContact CB-CG 3.93Å
230I98.7Very high97.8Very high1 Ų129 Ų291%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-96.7116.2-179.6-54.5-51.1000108.6A151 A152 V155 V172 F205 V228 V232 Q319 F320A151-I230 HydrophobicContact CB-CG2 3.74Å; A152-I230 HydrophobicContact CB-CB 4.48Å; A152-I230 HydrophobicContact CB-CG1 4.06Å; V155-I230 HydrophobicContact CB-CD1 4.4Å; V155-I230 HydrophobicContact CG2-CD1 3.95Å; V172-I230 HydrophobicContact CG2-CD1 4.16Å; F205-I230 HydrophobicContact CE1-CD1 4.3Å; F205-I230 HydrophobicContact CE2-CD1 3.61Å; F205-I230 HydrophobicContact CZ-CD1 3.4Å; F205-I230 VanDerWaalsContact CZ-CD1 3.4Å; V228-I230 HydrophobicContact CG1-CD1 3.91Å; V228-I230 HydrophobicContact CG1-CG1 4.01Å; I230-V232 HydrophobicContact CG2-CG2 4.03Å; I230-Q319 CarbonylContact O-C 3.32Å; I230-Q319 WeakPolarHBondContact O-CA 3.24Å; I230-F320 PolarHBondContact N-O 3.23Å; I230-F320 PolarHBondContact O-N 3.04Å
231I98.8Very high97.7Very high4 Ų436.3 Ų36.32%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-123.8126.4178.9-49.2174.4000109.6I86 V184 M187 D229 V317 A318 Q319I86-I231 HydrophobicContact CG2-CD1 4.35Å; I86-I231 HydrophobicContact CG2-CG2 3.86Å; V184-I231 HydrophobicContact CB-CB 4.43Å; V184-I231 HydrophobicContact CB-CG2 4.31Å; V184-I231 HydrophobicContact CG2-CB 4.3Å; V184-I231 HydrophobicContact CG2-CG2 3.75Å; V184-I231 PolarHBondContact N-O 3.47Å; M187-I231 HydrophobicContact CG-CB 4.36Å; M187-I231 HydrophobicContact CG-CD1 4.13Å; M187-I231 HydrophobicContact SD-CD1 3.92Å; D229-I231 WeakPolarHBondContact OD1-CG1 3.49Å; I231-V317 HydrophobicContact CG2-CG1 3.4Å; I231-V317 VanDerWaalsContact CG2-CG1 3.4Å; I231-A318 WeakPolarHBondContact CA-O 3.45Å; I231-Q319 HydrophobicContact CG1-CB 4.25Å; I231-Q319 HydrophobicContact CG1-CG 3.93Å
232V98.9Very high97.6Very high0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-130138.6-172.9-172.60000109.6V144 A147 A148 V176 C181 H182 I230 V317 A318V144-V232 HydrophobicContact CG2-CB 4.06Å; V144-V232 HydrophobicContact CG2-CG1 3.98Å; V144-V232 WeakPolarHBondContact CG2-O 3.41Å; A147-V232 HydrophobicContact CB-CG1 4.13Å; A148-V232 HydrophobicContact CB-CB 3.99Å; A148-V232 HydrophobicContact CB-CG2 3.64Å; V176-V232 HydrophobicContact CB-CG1 3.82Å; V176-V232 HydrophobicContact CG1-CB 4.3Å; V176-V232 HydrophobicContact CG1-CG1 3.69Å; V176-V232 HydrophobicContact CG1-CG2 3.54Å; C181-V232 HydrophobicContact CB-CG1 3.58Å; H182-V232 CarbonylContact O-C 3.53Å; H182-V232 WeakPolarHBondContact O-CA 3.48Å; H182-V232 WeakPolarHBondContact O-CG1 3.28Å; I230-V232 HydrophobicContact CG2-CG2 4.03Å; V232-V317 CarbonylContact O-C 3.49Å; V232-V317 VanDerWaalsContact O-CA 3.27Å; V232-V317 WeakPolarHBondContact O-CA 3.42Å; V232-V317 WeakPolarHBondContact O-CG1 3.4Å; V232-A318 PolarHBondContact N-O 3.49Å; V232-A318 PolarHBondContact O-N 2.93Å
233S98.9Very high97.6Very high0 Ų035.7 Ų35.70%018%0.176CC..EExtended strand (participates in β ladder)trans-113.8145.6180175.40000111.3C181 H182 G235 E311C181-S233 CarbonylContact C-O 3.08Å; C181-S233 WeakPolarHBondContact CA-O 3.38Å; C181-S233 VanDerWaalsContact CB-O 3.28Å; C181-S233 WeakPolarHBondContact CB-O 3.45Å; H182-S233 PolarHBondContact N-O 2.86Å; H182-S233 PolarHBondContact O-N 3.34Å; S233-G235 VanDerWaalsContact C-N 3.28Å; S233-G235 WeakPolarHBondContact OG-CA 3.5Å; S233-G235 PolarHBondContact OG-N 2.93Å; S233-E311 WeakPolarHBondContact CB-OE1 3.46Å; S233-E311 VanDerWaalsContact OG-CG 3.25Å; S233-E311 WeakPolarHBondContact OG-CG 3.48Å; S233-E311 PolarHBondContact OG-OE1 3.25Å
234T98.8Very high97.5Very high9 Ų934.3 Ų34.36%0.05517%0.17CC..SBendtrans-75-19.5165.755.30000113.3R140 V144 E315 F316R140-T234 HydrophobicContact CB-CG2 3.97Å; R140-T234 VanDerWaalsContact NH2-CA 3.3Å; R140-T234 VanDerWaalsContact NH2-CB 3.29Å; R140-T234 PolarHBondContact NH2-O 2.87Å; R140-T234 WeakPolarHBondContact O-CG2 3.48Å; V144-T234 HydrophobicContact CB-CG2 3.55Å; V144-T234 HydrophobicContact CG1-CG2 3.92Å; V144-T234 HydrophobicContact CG2-CG2 4.05Å; T234-E315 WeakPolarHBondContact CB-OE2 3.18Å; T234-E315 WeakPolarHBondContact OG1-CA 3.34Å; T234-E315 PolarHBondContact OG1-OE2 3.27Å; T234-F316 HydrophobicContact CG2-CB 4.05Å; T234-F316 HydrophobicContact CG2-CD2 4.49Å; T234-F316 PolarHBondContact N-O 3.25Å; T234-F316 PolarHBondContact OG1-N 3.4Å; T234-F316 PolarHBondContact OG1-O 3.08Å
235G98.3Very high97.3Very high7 Ų739.8 Ų39.87%0.07219%0.189CC..SBendtrans-86.9-148.7179.500000112.9H182 S233 G237 E315H182-G235 PolarHBondContact ND1-O 3.48Å; S233-G235 VanDerWaalsContact C-N 3.28Å; S233-G235 WeakPolarHBondContact OG-CA 3.5Å; S233-G235 PolarHBondContact OG-N 2.93Å; G235-G237 VanDerWaalsContact C-N 3.32Å; G235-E315 WeakPolarHBondContact CA-OE1 3.24Å; G235-E315 WeakPolarHBondContact CA-OE2 3.11Å; G235-E315 PolarHBondContact N-OE2 3.28Å; G235-E315 VanDerWaalsContact N-OE2 3.11Å
236D96.9Very high97.2Very high66 Ų6641 Ų4135%0.35320%0.197SC..  trans-85.9-3.2-177.261.428.1000113.9R238 E311 K312D236-R238 VanDerWaalsContact C-N 3.29Å; D236-R238 PolarHBondContact O-N 2.84Å; D236-R238 WeakPolarHBondContact OD1-CB 3.28Å; D236-R238 PolarHBondContact OD1-N 3.08Å; D236-E311 PolarHBondContact N-OE1 3.13Å; D236-K312 IonicContact OD2-NZ 3.62Å
237G97.3Very high97.1Very high1 Ų141.1 Ų41.11%0.0120%0.197CC..  trans76.910.5177.900000113.6V184 E185 G235 P239 E311V184-G237 CarbonylContact C-O 3.54Å; V184-G237 WeakPolarHBondContact CA-O 3.41Å; E185-G237 WeakPolarHBondContact CB-O 2.86Å; E185-G237 PolarHBondContact N-O 2.65Å; G235-G237 VanDerWaalsContact C-N 3.32Å; G237-P239 VanDerWaalsContact O-CD 3.23Å; G237-P239 WeakPolarHBondContact O-CD 3.38Å; G237-E311 VanDerWaalsContact CA-OE1 3.26Å; G237-E311 WeakPolarHBondContact CA-OE1 3.48Å; G237-E311 PolarHBondContact N-OE1 3.32Å
238R97.2Very high97.1Very high151 Ų15140.9 Ų40.957%0.5720%0.196SC*.  trans-94.6102.1-178.8-66.1179.7172.3175.7-0.1111.3D236D236-R238 VanDerWaalsContact C-N 3.29Å; D236-R238 PolarHBondContact O-N 2.84Å; D236-R238 WeakPolarHBondContact OD1-CB 3.28Å; D236-R238 PolarHBondContact OD1-N 3.08Å
239P97.2Very high97Very high40 Ų4041.3 Ų41.326%0.2620%0.198SC..  trans-63.2141.7-178.528-34.4000111.2I86 V184 M187 G237 V309I86-P239 HydrophobicContact CD1-CB 3.59Å; V184-P239 HydrophobicContact CG1-CB 4.27Å; V184-P239 HydrophobicContact CG1-CG 4.21Å; M187-P239 HydrophobicContact CE-CG 4.16Å; G237-P239 VanDerWaalsContact O-CD 3.23Å; G237-P239 WeakPolarHBondContact O-CD 3.38Å; P239-V309 HydrophobicContact CB-CB 4.11Å; P239-V309 HydrophobicContact CB-CG1 4.46Å; P239-V309 HydrophobicContact CB-CG2 4.5Å
240R97.2Very high97Very high120 Ų12042.2 Ų42.245%0.45320%0.202SC..EExtended strand (participates in β ladder)trans-120.3150.6168.8-78.8169.4-96-178.9-7.4109.8H242 V309 C310 K312R240-H242 PolarHBondContact O-N 3.27Å; R240-V309 CarbonylContact O-C 3.49Å; R240-V309 WeakPolarHBondContact O-CA 3.3Å; R240-V309 WeakPolarHBondContact O-CB 3.3Å; R240-C310 PolarHBondContact N-O 3.19Å; R240-C310 PolarHBondContact O-N 3.43Å; R240-K312 VanDerWaalsContact NH2-CE 3.3Å
241E96.4Very high96.8Very high155 Ų15544.8 Ų44.872%0.72421%0.213SC*.EExtended strand (participates in β ladder)trans-64.6130.1171-67.6-165.9157.600110
242H95.5Very high96.5Very high40 Ų4046.8 Ų46.819%0.18522%0.224CC..  trans-80156.5173.2-168.1-86.2000109.8M85 S97 R240 A244 V308 C310M85-H242 WeakPolarHBondContact CE-CE1 3.15Å; M85-H242 WeakPolarHBondContact CE-NE2 3.41Å; S97-H242 PolarHBondContact O-CE1 3.3Å; R240-H242 PolarHBondContact O-N 3.27Å; H242-A244 HydrophobicContact CB-CB 4.37Å; H242-A244 WeakPolarHBondContact ND1-CB 3.48Å; H242-A244 PolarHBondContact ND1-N 2.87Å; H242-A244 PolarHBondContact O-N 3.49Å; H242-V308 HydrophobicContact CB-CB 4.12Å; H242-V308 HydrophobicContact CB-CG1 3.8Å; H242-V308 PolarHBondContact N-O 3.1Å; H242-C310 HydrophobicContact CB-CB 4.29Å
243S93.5Very high96.1Very high94 Ų9455.5 Ų55.566%0.65726%0.264SS*.SBendtrans-66.8-4171.656.10000114.2S97S97-S243 WeakPolarHBondContact CB-O 3.3Å; S97-S243 PolarHBondContact O-OG 3.2Å; S97-S243 PolarHBondContact OG-O 3.47Å
244A94.1Very high95.8Very high6 Ų658.5 Ų58.55%0.0528%0.283CS..SBendtrans-70.4131.9-179.200000108.3Y89 S97 H242 T246 V308Y89-A244 HydrophobicContact CD2-CB 3.95Å; Y89-A244 HydrophobicContact CE2-CB 3.88Å; S97-A244 VanDerWaalsContact OG-CA 3.22Å; S97-A244 WeakPolarHBondContact OG-CA 3.43Å; H242-A244 HydrophobicContact CB-CB 4.37Å; H242-A244 WeakPolarHBondContact ND1-CB 3.48Å; H242-A244 PolarHBondContact ND1-N 2.87Å; H242-A244 PolarHBondContact O-N 3.49Å; A244-T246 PolarHBondContact O-N 3.5Å; A244-V308 HydrophobicContact CB-CB 3.95Å; A244-V308 HydrophobicContact CB-CG1 4Å; A244-V308 HydrophobicContact CB-CG2 3.89Å
245R93Very high95.4Very high126 Ų12666 Ų6648%0.47532%0.322SS..PPolyproline II helixtrans-64.9134.1-179.7-169.1175.4-171.3165.215.3110.7E95 S97 T247E95-R245 IonicContact OE1-CZ 3.94Å; E95-R245 IonicContact OE1-NE 2.71Å; E95-R245 IonicContact OE1-NH1 3.02Å; E95-R245 PolarHBondContact OE1-NH1 2.89Å; E95-R245 WeakPolarHBondContact OE2-CD 3.4Å; S97-R245 PolarHBondContact OG-N 3.31Å; R245-T247 PolarHBondContact O-N 3.26Å
246T95.5Very high95.2Very high30 Ų3070 Ų7018%0.18434%0.335CS..PPolyproline II helixtrans-67.2120172.9-53.70000111.1A244 L248 F249 P305 L306 S307A244-T246 PolarHBondContact O-N 3.5Å; T246-L248 WeakPolarHBondContact CG2-O 3.4Å; T246-F249 HydrophobicContact CG2-CE1 4.11Å; T246-F249 HydrophobicContact CG2-CZ 4.04Å; T246-F249 WeakPolarHBondContact O-CZ 3.4Å; T246-P305 HydrophobicContact CG2-CB 3.99Å; T246-L306 WeakPolarHBondContact CG2-O 3.44Å; T246-S307 WeakPolarHBondContact OG1-CA 3.36Å; T246-S307 PolarHBondContact OG1-OG 3.37Å
247T96.6Very high95.1Very high2 Ų273.8 Ų73.81%0.01235%0.351CS..  trans-116.2-15.1178.156.70000112.9S90 I92 R245 F249 S280 L281S90-T247 WeakPolarHBondContact O-CB 3.5Å; S90-T247 PolarHBondContact O-OG1 3.02Å; I92-T247 HydrophobicContact CD1-CG2 3.73Å; I92-T247 HydrophobicContact CG1-CG2 3.85Å; R245-T247 PolarHBondContact O-N 3.26Å; T247-F249 VanDerWaalsContact C-CE2 3.41Å; T247-F249 WeakPolarHBondContact O-CD2 3.16Å; T247-F249 WeakPolarHBondContact O-CE2 3.36Å; T247-S280 CarbonylContact O-C 3.59Å; T247-S280 WeakPolarHBondContact O-CA 3.48Å; T247-L281 PolarHBondContact O-N 3.47Å
248L98Very high95.1Very high0 Ų074.2 Ų74.20%035%0.353CS..EExtended strand (participates in β ladder)trans-99.7139.9178.3-60-169.5000111.3F76 P77 A79 H88 T246 F279 L306F76-L248 HydrophobicContact CE1-CD1 4.39Å; F76-L248 HydrophobicContact CZ-CD1 4.23Å; P77-L248 HydrophobicContact CB-CD2 3.76Å; P77-L248 HydrophobicContact CG-CD2 3.97Å; A79-L248 HydrophobicContact CB-CD1 4.17Å; H88-L248 HydrophobicContact CB-CD1 4.14Å; T246-L248 WeakPolarHBondContact CG2-O 3.4Å; L248-F279 WeakPolarHBondContact CA-O 3.39Å; L248-L306 HydrophobicContact CB-CB 3.89Å; L248-L306 HydrophobicContact CB-CD1 4.31Å; L248-L306 PolarHBondContact O-N 3.32Å
249F98.4Very high95.1Very high9 Ų972.8 Ų72.84%0.03935%0.351CS..EExtended strand (participates in β ladder)trans-145.4155.1-176.1-60-86.4000110.4T246 T247 P278 F279 L281 I294 I298 I303 E304 P305T246-F249 HydrophobicContact CG2-CE1 4.11Å; T246-F249 HydrophobicContact CG2-CZ 4.04Å; T246-F249 WeakPolarHBondContact O-CZ 3.4Å; T247-F249 VanDerWaalsContact C-CE2 3.41Å; T247-F249 WeakPolarHBondContact O-CD2 3.16Å; T247-F249 WeakPolarHBondContact O-CE2 3.36Å; F249-P278 CarbonylContact O-C 3.45Å; F249-P278 VanDerWaalsContact O-CA 3.22Å; F249-P278 WeakPolarHBondContact O-CA 3.38Å; F249-F279 HydrophobicContact CB-CD2 4.39Å; F249-F279 HydrophobicContact CB-CE1 3.86Å; F249-F279 HydrophobicContact CB-CE2 3.73Å; F249-F279 HydrophobicContact CB-CZ 3.42Å; F249-F279 VanDerWaalsContact CB-CZ 3.42Å; F249-F279 HydrophobicContact CD2-CE2 4.22Å; F249-F279 HydrophobicContact CG-CE2 4.3Å; F249-F279 HydrophobicContact CG-CZ 4.29Å; F249-F279 PolarHBondContact N-O 3.28Å; F249-F279 WeakPolarHBondContact O-CD1 3.16Å; F249-F279 PolarHBondContact O-N 2.87Å; F249-L281 HydrophobicContact CD2-CG 4.15Å; F249-L281 HydrophobicContact CE2-CD1 3.62Å; F249-L281 HydrophobicContact CE2-CG 3.6Å; F249-L281 HydrophobicContact CZ-CD1 4.17Å; F249-I294 HydrophobicContact CD1-CD1 4.11Å; F249-I294 HydrophobicContact CD1-CG2 4.08Å; F249-I294 HydrophobicContact CD2-CD1 3.57Å; F249-I294 HydrophobicContact CE1-CD1 4.12Å; F249-I294 HydrophobicContact CE1-CG2 3.69Å; F249-I294 HydrophobicContact CE2-CD1 3.58Å; F249-I294 HydrophobicContact CG-CD1 3.86Å; F249-I294 HydrophobicContact CZ-CD1 3.86Å; F249-I294 HydrophobicContact CZ-CG2 4.09Å; F249-I298 HydrophobicContact CD1-CD1 4.26Å; F249-I298 HydrophobicContact CE1-CD1 3.81Å; F249-I303 HydrophobicContact CB-CG2 3.74Å; F249-I303 HydrophobicContact CD1-CG2 4.01Å; F249-I303 HydrophobicContact CG-CG2 4.23Å; F249-E304 CarbonylContact C-O 3.54Å; F249-E304 VanDerWaalsContact CA-O 3.3Å; F249-E304 WeakPolarHBondContact CA-O 3.42Å; F249-P305 HydrophobicContact CD1-CB 4.18Å; F249-P305 HydrophobicContact CE1-CB 4.01Å
250K97.3Very high95Very high26 Ų2674.3 Ų74.311%0.11336%0.355CS..EExtended strand (participates in β ladder)trans-131.9145.1174.6-170.9-172.872.9-157.80109.8Y197 D198 P278 I303 E304 L306Y197-K250 HydrophobicContact CD1-CD 3.75Å; Y197-K250 HydrophobicContact CE1-CD 4.24Å; D198-K250 WeakPolarHBondContact OD2-CE 3.39Å; D198-K250 IonicContact OD2-NZ 3.87Å; D198-K250 PolarHBondContact OD2-NZ 3.37Å; K250-P278 HydrophobicContact CB-CG 4.31Å; K250-P278 HydrophobicContact CD-CG 4.31Å; K250-P278 HydrophobicContact CG-CG 4.11Å; K250-I303 CarbonylContact O-C 3.51Å; K250-I303 VanDerWaalsContact O-CA 3.32Å; K250-I303 WeakPolarHBondContact O-CA 3.09Å; K250-E304 VanDerWaalsContact CE-OE2 3.24Å; K250-E304 WeakPolarHBondContact CE-OE2 3.4Å; K250-E304 PolarHBondContact N-O 3.16Å; K250-E304 IonicContact NZ-OE2 2.7Å; K250-E304 PolarHBondContact NZ-OE2 3.16Å; K250-E304 PolarHBondContact O-N 3.09Å; K250-L306 HydrophobicContact CB-CD1 4.33Å; K250-L306 HydrophobicContact CB-CD2 4.44Å; K250-L306 HydrophobicContact CB-CG 4.45Å
251K95.3Very high95Very high55 Ų5575.5 Ų75.524%0.23936%0.364CS..EExtended strand (participates in β ladder)trans-79.6137.5173.5-171.6-172.963.3166.30109.7Y267 L275K251-Y267 HydrophobicContact CD-CE2 3.69Å; K251-Y267 HydrophobicContact CG-CE2 3.95Å; K251-L275 WeakPolarHBondContact CE-O 3.47Å; K251-L275 PolarHBondContact NZ-O 3.49Å
252N93.2Very high94.9Very high46 Ų4668.9 Ų68.925%0.24634%0.335CS..  trans-98.5173171.4-67.5-19.9000111.2T254 G301 V302N252-T254 PolarHBondContact O-N 2.85Å; N252-G301 VanDerWaalsContact CB-O 3.27Å; N252-G301 WeakPolarHBondContact CB-O 3.29Å; N252-G301 PolarHBondContact ND2-O 3.1Å; N252-V302 PolarHBondContact N-O 2.7Å
253E88.9Confident95Very high182 Ų18267 Ų6785%0.8533%0.326SS*.SBendtrans-81-0.4176.1-58.2-171.1158.200113.4L255E253-L255 PolarHBondContact O-N 3.16Å; E253-L255 VanDerWaalsContact O-N 3.15Å
254T92.6Very high95.1Very high64 Ų6468.2 Ų68.239%0.39332%0.317SS..  trans-61.9116.8-178.4-55.10000111.8N252 Y256 H300 G301N252-T254 PolarHBondContact O-N 2.85Å; T254-Y256 PolarHBondContact O-N 3.3Å; T254-H300 WeakPolarHBondContact CG2-O 3.24Å; T254-G301 WeakPolarHBondContact CB-O 2.98Å; T254-G301 PolarHBondContact OG1-O 2.86Å
255L90.3Very high95.2Very high166 Ų16671.8 Ų71.887%0.86933%0.332SS*.  trans-86.3105.1175.3-60.3-180000110.2E253E253-L255 PolarHBondContact O-N 3.16Å; E253-L255 VanDerWaalsContact O-N 3.15Å
256Y94.6Very high95.3Very high90 Ų9066 Ų6635%0.35331%0.311SS..  trans-133.1136.6175.7-178.5-94.6000111.7T254 L258 H300T254-Y256 PolarHBondContact O-N 3.3Å; Y256-L258 HydrophobicContact CD1-CD2 3.94Å; Y256-L258 HydrophobicContact CD1-CG 4.32Å; Y256-L258 HydrophobicContact CE1-CD2 4.39Å; Y256-L258 PolarHBondContact O-N 3.29Å; Y256-L258 VanDerWaalsContact O-N 3.08Å; Y256-H300 HydrophobicContact CD1-CB 3.67Å; Y256-H300 AromaticContact CD1-CD2 3.96Å; Y256-H300 AromaticContact CD1-CG 3.73Å; Y256-H300 HydrophobicContact CD2-CB 4.06Å; Y256-H300 HydrophobicContact CE1-CB 3.99Å; Y256-H300 AromaticContact CE1-CD2 3.37Å; Y256-H300 WeakPolarHBondContact CE1-CD2 3.49Å; Y256-H300 AromaticContact CE1-CG 3.49Å; Y256-H300 VanDerWaalsContact CE1-CG 3.49Å; Y256-H300 AromaticContact CE1-ND1 3.98Å; Y256-H300 AromaticContact CE1-NE2 3.84Å; Y256-H300 HydrophobicContact CE2-CB 4.34Å; Y256-H300 AromaticContact CE2-CE1 3.91Å; Y256-H300 AromaticContact CE2-CG 3.81Å; Y256-H300 AromaticContact CE2-ND1 3.53Å; Y256-H300 HydrophobicContact CG-CB 3.72Å; Y256-H300 AromaticContact CZ-CD2 3.59Å; Y256-H300 AromaticContact CZ-CE1 3.54Å; Y256-H300 AromaticContact CZ-CG 3.53Å; Y256-H300 AromaticContact CZ-ND1 3.51Å; Y256-H300 AromaticContact CZ-NE2 3.62Å; Y256-H300 PolarHBondContact OH-CE1 2.85Å; Y256-H300 PolarHBondContact OH-NE2 3.04Å
257Q95.4Very high95.4Very high147 Ų14767.6 Ų67.669%0.68731%0.314SS*.  trans-8287.8177-167.1-167.430.800111K259Q257-K259 WeakPolarHBondContact O-CD 3.44Å; Q257-K259 VanDerWaalsContact O-CE 3.26Å; Q257-K259 WeakPolarHBondContact O-CE 3.38Å; Q257-K259 PolarHBondContact O-N 3.39Å
258L96.6Very high95.3Very high9 Ų970.6 Ų70.65%0.04734%0.335CS..  trans-52.6132.6177.8-63.8167.3000112.4Y256 A263 R264 Y267 E296 V302Y256-L258 HydrophobicContact CD1-CD2 3.94Å; Y256-L258 HydrophobicContact CD1-CG 4.32Å; Y256-L258 HydrophobicContact CE1-CD2 4.39Å; Y256-L258 PolarHBondContact O-N 3.29Å; Y256-L258 VanDerWaalsContact O-N 3.08Å; L258-A263 HydrophobicContact CB-CB 4.24Å; L258-A263 HydrophobicContact CD1-CB 4.17Å; L258-A263 HydrophobicContact CD2-CB 4.18Å; L258-A263 HydrophobicContact CG-CB 4.43Å; L258-R264 HydrophobicContact CB-CG 3.8Å; L258-R264 WeakPolarHBondContact O-CD 3.39Å; L258-R264 WeakPolarHBondContact O-CG 3.37Å; L258-R264 PolarHBondContact O-NH1 3.13Å; L258-Y267 HydrophobicContact CD1-CD2 4.43Å; L258-Y267 HydrophobicContact CD1-CG 4.01Å; L258-E296 HydrophobicContact CD2-CG 3.88Å; L258-V302 HydrophobicContact CD2-CG2 4.46Å
259K96.7Very high95.2Very high121 Ų12172.8 Ų72.853%0.52635%0.345SS..  trans-97.5-31.9-172.9-55.9-57.4179.6-176.50112.6Q257 R264 E296Q257-K259 WeakPolarHBondContact O-CD 3.44Å; Q257-K259 VanDerWaalsContact O-CE 3.26Å; Q257-K259 WeakPolarHBondContact O-CE 3.38Å; Q257-K259 PolarHBondContact O-N 3.39Å; K259-R264 PolarHBondContact O-NH1 3.02Å; K259-E296 WeakPolarHBondContact CA-OE1 3.38Å; K259-E296 WeakPolarHBondContact CB-OE1 3.21Å; K259-E296 PolarHBondContact N-OE1 3.28Å
260M95.9Very high95.1Very high72 Ų7272.4 Ų72.436%0.35534%0.344SS..SBendtrans-77.4137.9176-57.9173.857.200111.2A262 A263 R264 L292 E296M260-A262 VanDerWaalsContact C-N 3.27Å; M260-A262 PolarHBondContact O-N 2.61Å; M260-A263 HydrophobicContact CB-CB 4.12Å; M260-A263 PolarHBondContact O-N 2.92Å; M260-R264 PolarHBondContact O-N 3.31Å; M260-L292 HydrophobicContact CE-CD1 3.95Å; M260-L292 HydrophobicContact CE-CD2 4.41Å; M260-L292 HydrophobicContact CE-CG 3.87Å; M260-E296 WeakPolarHBondContact CA-OE2 3.46Å; M260-E296 WeakPolarHBondContact CB-OE2 3.49Å; M260-E296 WeakPolarHBondContact CG-OE2 3.34Å; M260-E296 PolarHBondContact N-OE1 3.35Å; M260-E296 PolarHBondContact N-OE2 2.95Å; M260-E296 HydrophobicContact SD-CB 4.01Å
261K96.3Very high94.9Very high146 Ų14672.6 Ų72.664%0.63535%0.348SS*.Hα-helixtrans-58.4-41.5174-177.8179.9177.5-1790111.3R264 Q265K261-R264 PolarHBondContact O-N 3.3Å; K261-Q265 HydrophobicContact CG-CG 4.48Å; K261-Q265 WeakPolarHBondContact O-CB 3.05Å; K261-Q265 WeakPolarHBondContact O-CG 3.1Å; K261-Q265 PolarHBondContact O-N 2.74Å
262A95.4Very high94.8Very high15 Ų1574.7 Ų74.712%0.12436%0.362CS..Hα-helixtrans-61.7-44.3178.300000112.1M260 Q265 L266 L292M260-A262 VanDerWaalsContact C-N 3.27Å; M260-A262 PolarHBondContact O-N 2.61Å; A262-Q265 PolarHBondContact O-N 2.66Å; A262-L266 VanDerWaalsContact O-CB 3.27Å; A262-L266 WeakPolarHBondContact O-CB 3.32Å; A262-L266 PolarHBondContact O-N 2.61Å; A262-L292 HydrophobicContact CB-CD2 4.3Å; A262-L292 HydrophobicContact CB-CG 4.45Å
263A96.6Very high94.8Very high0 Ų076.9 Ų76.90%037%0.369CS..Hα-helixtrans-66.1-43.3178.400000112.2L258 M260 Q265 L266 Y267 G293 E296L258-A263 HydrophobicContact CB-CB 4.24Å; L258-A263 HydrophobicContact CD1-CB 4.17Å; L258-A263 HydrophobicContact CD2-CB 4.18Å; L258-A263 HydrophobicContact CG-CB 4.43Å; M260-A263 HydrophobicContact CB-CB 4.12Å; M260-A263 PolarHBondContact O-N 2.92Å; A263-Q265 PolarHBondContact O-N 2.96Å; A263-L266 PolarHBondContact O-N 3.49Å; A263-Y267 VanDerWaalsContact O-CB 3.31Å; A263-Y267 WeakPolarHBondContact O-CB 3.27Å; A263-Y267 PolarHBondContact O-N 2.86Å; A263-G293 WeakPolarHBondContact CB-O 3.12Å; A263-E296 HydrophobicContact CB-CB 3.92Å; A263-E296 HydrophobicContact CB-CG 4.37Å; A263-E296 WeakPolarHBondContact CB-OE2 3.46Å
264R96.7Very high95.1Very high121 Ų12168.5 Ų68.546%0.45733%0.33SS..Hα-helixtrans-60.9-44.2174.6-73.3-166.8-63.5-85.5-1.2112.8L258 K259 M260 K261 S268L258-R264 HydrophobicContact CB-CG 3.8Å; L258-R264 WeakPolarHBondContact O-CD 3.39Å; L258-R264 WeakPolarHBondContact O-CG 3.37Å; L258-R264 PolarHBondContact O-NH1 3.13Å; K259-R264 PolarHBondContact O-NH1 3.02Å; M260-R264 PolarHBondContact O-N 3.31Å; K261-R264 PolarHBondContact O-N 3.3Å; R264-S268 WeakPolarHBondContact O-CB 3.4Å; R264-S268 PolarHBondContact O-N 3.16Å; R264-S268 VanDerWaalsContact O-N 3.07Å
265Q95.7Very high95.2Very high80 Ų8066.6 Ų66.637%0.37432%0.317SS..Hα-helixtrans-63.1-47.4177.5-76.1-179.1-22.500111.2K261 A262 A263 S268 E269K261-Q265 HydrophobicContact CG-CG 4.48Å; K261-Q265 WeakPolarHBondContact O-CB 3.05Å; K261-Q265 WeakPolarHBondContact O-CG 3.1Å; K261-Q265 PolarHBondContact O-N 2.74Å; A262-Q265 PolarHBondContact O-N 2.66Å; A263-Q265 PolarHBondContact O-N 2.96Å; Q265-S268 PolarHBondContact O-N 3.21Å; Q265-E269 PolarHBondContact O-N 3.11Å
266L96.4Very high95.4Very high4 Ų459.8 Ų59.82%0.02129%0.285CS..Hα-helixtrans-59.1-49.1176.7175.871.9000111.8A262 A263 S268 E269 I270 F284 A290 I294A262-L266 VanDerWaalsContact O-CB 3.27Å; A262-L266 WeakPolarHBondContact O-CB 3.32Å; A262-L266 PolarHBondContact O-N 2.61Å; A263-L266 PolarHBondContact O-N 3.49Å; L266-S268 VanDerWaalsContact C-N 3.28Å; L266-S268 PolarHBondContact O-N 2.81Å; L266-E269 WeakPolarHBondContact O-CB 3.41Å; L266-E269 PolarHBondContact O-N 2.89Å; L266-E269 VanDerWaalsContact O-N 3.12Å; L266-I270 HydrophobicContact CD1-CD1 3.97Å; L266-I270 HydrophobicContact CD1-CG1 4.28Å; L266-I270 HydrophobicContact CD2-CD1 4.14Å; L266-I270 HydrophobicContact CG-CD1 3.66Å; L266-I270 HydrophobicContact CG-CG1 4.36Å; L266-I270 WeakPolarHBondContact O-CG1 3.35Å; L266-I270 PolarHBondContact O-N 3.3Å; L266-F284 HydrophobicContact CD1-CD1 4.01Å; L266-F284 HydrophobicContact CD1-CE1 3.4Å; L266-F284 HydrophobicContact CD1-CE2 4.24Å; L266-F284 HydrophobicContact CD1-CZ 3.52Å; L266-A290 HydrophobicContact CD1-CB 3.91Å; L266-A290 WeakPolarHBondContact CD2-O 3.42Å; L266-I294 HydrophobicContact CD2-CB 4.22Å; L266-I294 HydrophobicContact CD2-CG1 3.42Å; L266-I294 VanDerWaalsContact CD2-CG1 3.42Å; L266-I294 VanDerWaalsContact CD2-N 3.31Å
267Y95.9Very high95.6Very high65 Ų6555.6 Ų55.626%0.25527%0.268SS..Hα-helixtrans-61.6-37.9-178.9-177.4-97.6000112.2K251 L258 A263 S271 V302K251-Y267 HydrophobicContact CD-CE2 3.69Å; K251-Y267 HydrophobicContact CG-CE2 3.95Å; L258-Y267 HydrophobicContact CD1-CD2 4.43Å; L258-Y267 HydrophobicContact CD1-CG 4.01Å; A263-Y267 VanDerWaalsContact O-CB 3.31Å; A263-Y267 WeakPolarHBondContact O-CB 3.27Å; A263-Y267 PolarHBondContact O-N 2.86Å; Y267-S271 WeakPolarHBondContact O-CB 3.19Å; Y267-S271 PolarHBondContact O-N 3.27Å; Y267-S271 PolarHBondContact O-OG 2.6Å; Y267-V302 HydrophobicContact CD2-CG1 3.54Å; Y267-V302 HydrophobicContact CE2-CG1 3.27Å
268S95.4Very high95.7Very high64 Ų6448.6 Ų48.645%0.44824%0.236SC..Hα-helixtrans-64.3-43.4173.1-1780000111.8R264 Q265 L266 S271 N272R264-S268 WeakPolarHBondContact O-CB 3.4Å; R264-S268 PolarHBondContact O-N 3.16Å; R264-S268 VanDerWaalsContact O-N 3.07Å; Q265-S268 PolarHBondContact O-N 3.21Å; L266-S268 VanDerWaalsContact C-N 3.28Å; L266-S268 PolarHBondContact O-N 2.81Å; S268-S271 PolarHBondContact O-N 2.96Å; S268-N272 WeakPolarHBondContact O-CB 3.47Å; S268-N272 PolarHBondContact O-N 3.07Å; S268-N272 VanDerWaalsContact O-N 3.1Å; S268-N272 PolarHBondContact O-ND2 2.75Å; S268-N272 VanDerWaalsContact O-ND2 3.08Å
269E95.5Very high95.8Very high47 Ų4748.2 Ų48.222%0.2223%0.234CC..Hα-helixtrans-61.9-46176.2-169.2173.1168.800111.5Q265 L266 N272 K273 F284 R289Q265-E269 PolarHBondContact O-N 3.11Å; L266-E269 WeakPolarHBondContact O-CB 3.41Å; L266-E269 PolarHBondContact O-N 2.89Å; L266-E269 VanDerWaalsContact O-N 3.12Å; E269-N272 PolarHBondContact O-N 3.25Å; E269-K273 WeakPolarHBondContact O-CB 3.4Å; E269-K273 PolarHBondContact O-N 3.3Å; E269-F284 HydrophobicContact CB-CE1 4.39Å; E269-F284 HydrophobicContact CG-CD1 4.27Å; E269-F284 HydrophobicContact CG-CE1 4.02Å; E269-F284 VanDerWaalsContact OE1-CD1 3.32Å; E269-F284 WeakPolarHBondContact OE1-CD1 3.39Å; E269-R289 IonicContact OE2-NH2 2.74Å; E269-R289 PolarHBondContact OE2-NH2 3.46Å; E269-R289 VanDerWaalsContact OE2-NH2 3.14Å
270I95.7Very high95.8Very high1 Ų142.5 Ų42.51%0.00521%0.209CC..Hα-helixtrans-59.9-49.6176.9-69.5162.5000111.3L266 N272 K273 F274 L275 F279 F284 I303L266-I270 HydrophobicContact CD1-CD1 3.97Å; L266-I270 HydrophobicContact CD1-CG1 4.28Å; L266-I270 HydrophobicContact CD2-CD1 4.14Å; L266-I270 HydrophobicContact CG-CD1 3.66Å; L266-I270 HydrophobicContact CG-CG1 4.36Å; L266-I270 WeakPolarHBondContact O-CG1 3.35Å; L266-I270 PolarHBondContact O-N 3.3Å; I270-N272 PolarHBondContact O-N 3.06Å; I270-K273 PolarHBondContact O-N 2.94Å; I270-F274 HydrophobicContact CB-CD2 4.26Å; I270-F274 HydrophobicContact CG1-CD2 4.19Å; I270-F274 HydrophobicContact CG1-CE2 4.43Å; I270-F274 HydrophobicContact CG2-CD2 4.22Å; I270-F274 PolarHBondContact O-N 2.87Å; I270-L275 PolarHBondContact O-N 2.87Å; I270-F279 HydrophobicContact CD1-CE1 3.81Å; I270-F279 HydrophobicContact CD1-CE2 3.84Å; I270-F279 HydrophobicContact CD1-CZ 3.3Å; I270-F279 HydrophobicContact CG1-CD1 4.47Å; I270-F279 HydrophobicContact CG1-CE1 4.02Å; I270-F279 HydrophobicContact CG1-CE2 4.07Å; I270-F279 HydrophobicContact CG1-CZ 3.81Å; I270-F279 HydrophobicContact CG2-CD1 3.98Å; I270-F279 HydrophobicContact CG2-CE1 3.68Å; I270-F279 HydrophobicContact CG2-CZ 4.31Å; I270-F284 HydrophobicContact CD1-CZ 4.31Å; I270-F284 HydrophobicContact CG1-CE1 4.19Å; I270-F284 HydrophobicContact CG1-CZ 3.71Å; I270-I303 HydrophobicContact CD1-CD1 3.43Å; I270-I303 VanDerWaalsContact CD1-CD1 3.43Å
271S93.7Very high95.8Very high30 Ų3039.2 Ų39.221%0.2119%0.193CC..Hα-helixtrans-62.1-33.4-177.2-61.60000112Y267 S268Y267-S271 WeakPolarHBondContact O-CB 3.19Å; Y267-S271 PolarHBondContact O-N 3.27Å; Y267-S271 PolarHBondContact O-OG 2.6Å; S268-S271 PolarHBondContact O-N 2.96Å
272N92.9Very high95.8Very high99 Ų9934 Ų3453%0.52917%0.169SC..Hα-helixtrans-79.9-42.4177.6-72.6-33.6000112.6R71 S268 E269 I270R71-N272 PolarHBondContact NH1-O 3.33Å; S268-N272 WeakPolarHBondContact O-CB 3.47Å; S268-N272 PolarHBondContact O-N 3.07Å; S268-N272 VanDerWaalsContact O-N 3.1Å; S268-N272 PolarHBondContact O-ND2 2.75Å; S268-N272 VanDerWaalsContact O-ND2 3.08Å; E269-N272 PolarHBondContact O-N 3.25Å; I270-N272 PolarHBondContact O-N 3.06Å
273K94Very high95.8Very high91 Ų9134.4 Ų34.440%0.39617%0.173SC..Hα-helixtrans-88.2-40.7-169.7-168.8170.7179.1174.70113.9E269 I270 A283E269-K273 WeakPolarHBondContact O-CB 3.4Å; E269-K273 PolarHBondContact O-N 3.3Å; I270-K273 PolarHBondContact O-N 2.94Å; K273-A283 PolarHBondContact NZ-O 3.08Å
274F96Very high95.8Very high6 Ų634.8 Ų34.83%0.02617%0.174CC..THydrogen-bonded Turntrans-113.4-8.8-171.4-49-64.9000113.8I270 A276 Y277 F279 A283 F284I270-F274 HydrophobicContact CB-CD2 4.26Å; I270-F274 HydrophobicContact CG1-CD2 4.19Å; I270-F274 HydrophobicContact CG1-CE2 4.43Å; I270-F274 HydrophobicContact CG2-CD2 4.22Å; I270-F274 PolarHBondContact O-N 2.87Å; F274-A276 PolarHBondContact O-N 3.43Å; F274-A276 VanDerWaalsContact O-N 3.07Å; F274-Y277 WeakPolarHBondContact O-CB 3.23Å; F274-Y277 WeakPolarHBondContact O-CD2 3.47Å; F274-Y277 PolarHBondContact O-N 2.88Å; F274-F279 HydrophobicContact CB-CB 4.06Å; F274-F279 HydrophobicContact CB-CD1 4.48Å; F274-F279 HydrophobicContact CD1-CB 3.7Å; F274-F279 HydrophobicContact CD2-CB 3.45Å; F274-F279 VanDerWaalsContact CD2-CB 3.45Å; F274-F279 HydrophobicContact CD2-CD1 4.06Å; F274-F279 HydrophobicContact CD2-CD2 4.25Å; F274-F279 AromaticContact CD2-CG 3.66Å; F274-F279 HydrophobicContact CD2-CG 3.66Å; F274-F279 HydrophobicContact CE1-CB 3.96Å; F274-F279 HydrophobicContact CE2-CB 3.77Å; F274-F279 HydrophobicContact CE2-CD2 4.17Å; F274-F279 AromaticContact CE2-CG 4Å; F274-F279 HydrophobicContact CE2-CG 4Å; F274-F279 HydrophobicContact CG-CB 3.45Å; F274-F279 VanDerWaalsContact CG-CB 3.45Å; F274-F279 HydrophobicContact CG-CD1 4.43Å; F274-F279 HydrophobicContact CG-CG 4.1Å; F274-F279 HydrophobicContact CZ-CB 4.01Å; F274-A283 HydrophobicContact CE1-CB 3.77Å; F274-A283 HydrophobicContact CZ-CB 3.48Å; F274-A283 VanDerWaalsContact CZ-CB 3.48Å; F274-F284 HydrophobicContact CE2-CE1 4.04Å; F274-F284 HydrophobicContact CE2-CE2 4.19Å; F274-F284 AromaticContact CE2-CZ 3.62Å; F274-F284 HydrophobicContact CE2-CZ 3.62Å; F274-F284 HydrophobicContact CZ-CZ 4.38Å
275L94.3Very high95.6Very high25 Ų2536.8 Ų36.813%0.13119%0.194CC..THydrogen-bonded Turntrans62-106.8176.7-59.7166.3000112.4R71 L195 K251 I270 Y277R71-L275 HydrophobicContact CB-CD1 4.09Å; L195-L275 HydrophobicContact CD2-CB 4.25Å; L195-L275 HydrophobicContact CD2-CD1 3.66Å; L195-L275 HydrophobicContact CD2-CD2 4.47Å; L195-L275 HydrophobicContact CD2-CG 4.35Å; K251-L275 WeakPolarHBondContact CE-O 3.47Å; K251-L275 PolarHBondContact NZ-O 3.49Å; I270-L275 PolarHBondContact O-N 2.87Å; L275-Y277 HydrophobicContact CB-CD2 4.37Å; L275-Y277 HydrophobicContact CB-CE2 4.46Å; L275-Y277 HydrophobicContact CD1-CE2 4.38Å
276A93.7Very high95.5Very high23 Ų2336.8 Ų36.819%0.1920%0.197CC..THydrogen-bonded Turntrans-111.91.7177.600000112.5L195 F274L195-A276 WeakPolarHBondContact O-CB 3.27Å; F274-A276 PolarHBondContact O-N 3.43Å; F274-A276 VanDerWaalsContact O-N 3.07Å
277Y98Very high95.3Very high1 Ų138.1 Ų38.10%0.00421%0.205CC..SBendtrans-91.8151.2-171.6-56.9-57.9000112.3A75 H115 G118 A120 Y197 F274 L275A75-Y277 HydrophobicContact CB-CD1 4.25Å; A75-Y277 HydrophobicContact CB-CG 4.42Å; H115-Y277 HydrophobicContact CB-CE2 3.81Å; H115-Y277 AromaticContact CD2-CD2 3.42Å; H115-Y277 VanDerWaalsContact CD2-CD2 3.42Å; H115-Y277 WeakPolarHBondContact CD2-CD2 3.34Å; H115-Y277 AromaticContact CD2-CE2 3.36Å; H115-Y277 WeakPolarHBondContact CD2-CE2 3.47Å; H115-Y277 AromaticContact CG-CD2 3.95Å; H115-Y277 AromaticContact CG-CE2 3.39Å; H115-Y277 AromaticContact ND1-CE2 3.84Å; H115-Y277 AromaticContact NE2-CD2 3.85Å; H115-Y277 AromaticContact NE2-CE2 3.81Å; G118-Y277 WeakPolarHBondContact CA-OH 3.42Å; G118-Y277 PolarHBondContact O-OH 3.45Å; A120-Y277 HydrophobicContact CB-CD1 4.28Å; A120-Y277 HydrophobicContact CB-CE1 3.51Å; Y197-Y277 AromaticContact CD2-CD1 3.88Å; Y197-Y277 HydrophobicContact CD2-CD1 3.88Å; Y197-Y277 HydrophobicContact CD2-CE1 4.49Å; Y197-Y277 HydrophobicContact CG-CD1 4.46Å; F274-Y277 WeakPolarHBondContact O-CB 3.23Å; F274-Y277 WeakPolarHBondContact O-CD2 3.47Å; F274-Y277 PolarHBondContact O-N 2.88Å; L275-Y277 HydrophobicContact CB-CD2 4.37Å; L275-Y277 HydrophobicContact CB-CE2 4.46Å; L275-Y277 HydrophobicContact CD1-CE2 4.38Å
278P98.4Very high95.1Very high0 Ų042.7 Ų42.70%023%0.226CC..  trans-52.2147.9168.1-30.138.1000112.6A75 F76 P77 Y197 F249 K250 L306A75-P278 WeakPolarHBondContact O-CD 3.12Å; F76-P278 HydrophobicContact CD2-CB 3.93Å; F76-P278 HydrophobicContact CD2-CG 3.84Å; F76-P278 HydrophobicContact CE2-CB 4.13Å; F76-P278 HydrophobicContact CE2-CG 4.1Å; P77-P278 WeakPolarHBondContact CD-O 3.36Å; Y197-P278 HydrophobicContact CD1-CG 4.08Å; Y197-P278 HydrophobicContact CD2-CG 4.38Å; Y197-P278 HydrophobicContact CE1-CG 3.7Å; Y197-P278 HydrophobicContact CE2-CG 4Å; Y197-P278 HydrophobicContact CG-CG 4.39Å; F249-P278 CarbonylContact O-C 3.45Å; F249-P278 VanDerWaalsContact O-CA 3.22Å; F249-P278 WeakPolarHBondContact O-CA 3.38Å; K250-P278 HydrophobicContact CB-CG 4.31Å; K250-P278 HydrophobicContact CD-CG 4.31Å; K250-P278 HydrophobicContact CG-CG 4.11Å; P278-L306 HydrophobicContact CB-CD1 3.87Å; P278-L306 HydrophobicContact CG-CD1 4.11Å
279F98.3Very high95Very high1 Ų144.2 Ų44.20%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-139.4152.7-17964-89.8000110.9L248 F249 I270 F274 F284 I294 I303L248-F279 WeakPolarHBondContact CA-O 3.39Å; F249-F279 HydrophobicContact CB-CD2 4.39Å; F249-F279 HydrophobicContact CB-CE1 3.86Å; F249-F279 HydrophobicContact CB-CE2 3.73Å; F249-F279 HydrophobicContact CB-CZ 3.42Å; F249-F279 VanDerWaalsContact CB-CZ 3.42Å; F249-F279 HydrophobicContact CD2-CE2 4.22Å; F249-F279 HydrophobicContact CG-CE2 4.3Å; F249-F279 HydrophobicContact CG-CZ 4.29Å; F249-F279 PolarHBondContact N-O 3.28Å; F249-F279 WeakPolarHBondContact O-CD1 3.16Å; F249-F279 PolarHBondContact O-N 2.87Å; I270-F279 HydrophobicContact CD1-CE1 3.81Å; I270-F279 HydrophobicContact CD1-CE2 3.84Å; I270-F279 HydrophobicContact CD1-CZ 3.3Å; I270-F279 HydrophobicContact CG1-CD1 4.47Å; I270-F279 HydrophobicContact CG1-CE1 4.02Å; I270-F279 HydrophobicContact CG1-CE2 4.07Å; I270-F279 HydrophobicContact CG1-CZ 3.81Å; I270-F279 HydrophobicContact CG2-CD1 3.98Å; I270-F279 HydrophobicContact CG2-CE1 3.68Å; I270-F279 HydrophobicContact CG2-CZ 4.31Å; F274-F279 HydrophobicContact CB-CB 4.06Å; F274-F279 HydrophobicContact CB-CD1 4.48Å; F274-F279 HydrophobicContact CD1-CB 3.7Å; F274-F279 HydrophobicContact CD2-CB 3.45Å; F274-F279 VanDerWaalsContact CD2-CB 3.45Å; F274-F279 HydrophobicContact CD2-CD1 4.06Å; F274-F279 HydrophobicContact CD2-CD2 4.25Å; F274-F279 AromaticContact CD2-CG 3.66Å; F274-F279 HydrophobicContact CD2-CG 3.66Å; F274-F279 HydrophobicContact CE1-CB 3.96Å; F274-F279 HydrophobicContact CE2-CB 3.77Å; F274-F279 HydrophobicContact CE2-CD2 4.17Å; F274-F279 AromaticContact CE2-CG 4Å; F274-F279 HydrophobicContact CE2-CG 4Å; F274-F279 HydrophobicContact CG-CB 3.45Å; F274-F279 VanDerWaalsContact CG-CB 3.45Å; F274-F279 HydrophobicContact CG-CD1 4.43Å; F274-F279 HydrophobicContact CG-CG 4.1Å; F274-F279 HydrophobicContact CZ-CB 4.01Å; F279-F284 AromaticContact CD2-CE2 3.66Å; F279-F284 HydrophobicContact CD2-CE2 3.66Å; F279-F284 AromaticContact CD2-CZ 3.91Å; F279-F284 HydrophobicContact CD2-CZ 3.91Å; F279-F284 AromaticContact CE2-CE2 3.79Å; F279-F284 HydrophobicContact CE2-CE2 3.79Å; F279-F284 AromaticContact CE2-CZ 3.91Å; F279-F284 HydrophobicContact CE2-CZ 3.91Å; F279-I294 HydrophobicContact CE2-CD1 4.35Å; F279-I303 HydrophobicContact CZ-CD1 4.19Å; F279-I303 HydrophobicContact CZ-CG2 4.3Å
280S97.4Very high95Very high2 Ų242.1 Ų42.11%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-97.4144.1173.1178.20000110.2T247 R282 A283T247-S280 CarbonylContact O-C 3.59Å; T247-S280 WeakPolarHBondContact O-CA 3.48Å; S280-R282 PolarHBondContact O-N 3.42Å; S280-R282 VanDerWaalsContact O-N 3.11Å; S280-R282 WeakPolarHBondContact OG-CB 3.32Å; S280-R282 PolarHBondContact OG-N 3.22Å; S280-R282 VanDerWaalsContact OG-N 3.16Å; S280-A283 WeakPolarHBondContact O-CB 3.42Å; S280-A283 PolarHBondContact O-N 3.13Å
281L96.4Very high94.9Very high3 Ų344.5 Ų44.52%0.01622%0.222CC..G310 helixtrans-55.6-22.8168.2-90.1177.8000113.1I92 T247 F249 A283 F284 V287 A290 R291 I294I92-L281 HydrophobicContact CD1-CB 3.44Å; I92-L281 VanDerWaalsContact CD1-CB 3.44Å; T247-L281 PolarHBondContact O-N 3.47Å; F249-L281 HydrophobicContact CD2-CG 4.15Å; F249-L281 HydrophobicContact CE2-CD1 3.62Å; F249-L281 HydrophobicContact CE2-CG 3.6Å; F249-L281 HydrophobicContact CZ-CD1 4.17Å; L281-A283 PolarHBondContact O-N 3.12Å; L281-F284 HydrophobicContact CD2-CD2 4.18Å; L281-F284 HydrophobicContact CD2-CE2 4.34Å; L281-F284 WeakPolarHBondContact O-CD2 3.48Å; L281-F284 PolarHBondContact O-N 2.84Å; L281-V287 HydrophobicContact CB-CG1 4.36Å; L281-A290 HydrophobicContact CD2-CB 3.53Å; L281-R291 HydrophobicContact CD1-CG 3.7Å; L281-R291 HydrophobicContact CD2-CG 4.38Å; L281-I294 HydrophobicContact CD1-CD1 4.24Å; L281-I294 HydrophobicContact CD2-CD1 3.44Å; L281-I294 VanDerWaalsContact CD2-CD1 3.44Å; L281-I294 HydrophobicContact CD2-CG1 4.45Å; L281-I294 HydrophobicContact CG-CD1 3.84Å
282R95Very high94.9Very high36 Ų3647.8 Ų47.814%0.13624%0.236CC..G310 helixtrans-63.7-23.3176.3-164160.561.4-116.5-11.4113.6E50 D53 S90 P91 I92 S280 F284E50-R282 HydrophobicContact CG-CG 4.31Å; E50-R282 WeakPolarHBondContact OE1-CD 3.44Å; D53-R282 IonicContact OD2-CZ 2.74Å; D53-R282 IonicContact OD2-NE 2.7Å; D53-R282 IonicContact OD2-NH2 3.72Å; D53-R282 PolarHBondContact OD2-NH2 2.67Å; S90-R282 PolarHBondContact O-NH1 3.17Å; S90-R282 PolarHBondContact OG-NH1 2.75Å; S90-R282 VanDerWaalsContact OG-NH1 3.1Å; S90-R282 PolarHBondContact OG-NH2 2.94Å; S90-R282 VanDerWaalsContact OG-NH2 3.14Å; P91-R282 PolarHBondContact O-NH1 2.98Å; I92-R282 HydrophobicContact CD1-CB 4.03Å; I92-R282 VanDerWaalsContact CD1-N 3.32Å; I92-R282 HydrophobicContact CG1-CB 3.97Å; I92-R282 HydrophobicContact CG1-CG 4.48Å; S280-R282 PolarHBondContact O-N 3.42Å; S280-R282 VanDerWaalsContact O-N 3.11Å; S280-R282 WeakPolarHBondContact OG-CB 3.32Å; S280-R282 PolarHBondContact OG-N 3.22Å; S280-R282 VanDerWaalsContact OG-N 3.16Å; R282-F284 PolarHBondContact O-N 2.9Å
283A96Very high95.1Very high23 Ų2343 Ų4319%0.1921%0.211CC..G310 helixtrans-79.24.4-178.200000113.6K273 F274 S280 L281K273-A283 PolarHBondContact NZ-O 3.08Å; F274-A283 HydrophobicContact CE1-CB 3.77Å; F274-A283 HydrophobicContact CZ-CB 3.48Å; F274-A283 VanDerWaalsContact CZ-CB 3.48Å; S280-A283 WeakPolarHBondContact O-CB 3.42Å; S280-A283 PolarHBondContact O-N 3.13Å; L281-A283 PolarHBondContact O-N 3.12Å
284F95.6Very high95.2Very high8 Ų839 Ų394%0.03519%0.194CC..SBendtrans-110.6134.5178.9-60.9-86.2000111.7L266 E269 I270 F274 F279 L281 R282 N286 A290L266-F284 HydrophobicContact CD1-CD1 4.01Å; L266-F284 HydrophobicContact CD1-CE1 3.4Å; L266-F284 HydrophobicContact CD1-CE2 4.24Å; L266-F284 HydrophobicContact CD1-CZ 3.52Å; E269-F284 HydrophobicContact CB-CE1 4.39Å; E269-F284 HydrophobicContact CG-CD1 4.27Å; E269-F284 HydrophobicContact CG-CE1 4.02Å; E269-F284 VanDerWaalsContact OE1-CD1 3.32Å; E269-F284 WeakPolarHBondContact OE1-CD1 3.39Å; I270-F284 HydrophobicContact CD1-CZ 4.31Å; I270-F284 HydrophobicContact CG1-CE1 4.19Å; I270-F284 HydrophobicContact CG1-CZ 3.71Å; F274-F284 HydrophobicContact CE2-CE1 4.04Å; F274-F284 HydrophobicContact CE2-CE2 4.19Å; F274-F284 AromaticContact CE2-CZ 3.62Å; F274-F284 HydrophobicContact CE2-CZ 3.62Å; F274-F284 HydrophobicContact CZ-CZ 4.38Å; F279-F284 AromaticContact CD2-CE2 3.66Å; F279-F284 HydrophobicContact CD2-CE2 3.66Å; F279-F284 AromaticContact CD2-CZ 3.91Å; F279-F284 HydrophobicContact CD2-CZ 3.91Å; F279-F284 AromaticContact CE2-CE2 3.79Å; F279-F284 HydrophobicContact CE2-CE2 3.79Å; F279-F284 AromaticContact CE2-CZ 3.91Å; F279-F284 HydrophobicContact CE2-CZ 3.91Å; L281-F284 HydrophobicContact CD2-CD2 4.18Å; L281-F284 HydrophobicContact CD2-CE2 4.34Å; L281-F284 WeakPolarHBondContact O-CD2 3.48Å; L281-F284 PolarHBondContact O-N 2.84Å; R282-F284 PolarHBondContact O-N 2.9Å; F284-N286 PolarHBondContact O-N 2.97Å; F284-N286 VanDerWaalsContact O-N 3.16Å; F284-A290 HydrophobicContact CB-CB 4.06Å; F284-A290 HydrophobicContact CD1-CB 4.36Å; F284-A290 HydrophobicContact CD2-CB 3.95Å; F284-A290 HydrophobicContact CE2-CB 4.48Å; F284-A290 HydrophobicContact CG-CB 3.87Å
285D92.8Very high95.2Very high164 Ų16442 Ų4288%0.87722%0.215SC*.SBendtrans-60.1-29.1178.7-57.3-21.3000113.1
286N93.2Very high95.3Very high79 Ų7941.5 Ų41.542%0.42221%0.212SC..  trans-125.686.1176.6-171.1-30.3000110.7F284 K288 R289 A290F284-N286 PolarHBondContact O-N 2.97Å; F284-N286 VanDerWaalsContact O-N 3.16Å; N286-K288 VanDerWaalsContact C-N 3.28Å; N286-K288 PolarHBondContact O-N 3.11Å; N286-K288 PolarHBondContact OD1-N 2.82Å; N286-R289 HydrophobicContact CB-CB 4.06Å; N286-R289 PolarHBondContact O-N 3.3Å; N286-R289 WeakPolarHBondContact OD1-CB 3.41Å; N286-R289 PolarHBondContact OD1-N 3.03Å; N286-A290 PolarHBondContact O-N 3.46Å
287V93.1Very high95.5Very high33 Ų3340.4 Ų40.420%0.220%0.203CC..Hα-helixtrans-57.4-38.9179.6-177.30000112.1L281 R289 A290 R291L281-V287 HydrophobicContact CB-CG1 4.36Å; V287-R289 PolarHBondContact O-N 3.14Å; V287-A290 PolarHBondContact O-N 3.04Å; V287-R291 VanDerWaalsContact CG1-CZ 3.47Å; V287-R291 VanDerWaalsContact CG1-NH2 3.27Å; V287-R291 WeakPolarHBondContact O-CG 3.43Å; V287-R291 PolarHBondContact O-N 2.99Å
288K91.8Very high95.5Very high160 Ų16043.3 Ų43.370%0.69622%0.218SC*.Hα-helixtrans-62.5-44.1178.8-67.8-179.2-178.7174.10111.7N286 R291 L292N286-K288 VanDerWaalsContact C-N 3.28Å; N286-K288 PolarHBondContact O-N 3.11Å; N286-K288 PolarHBondContact OD1-N 2.82Å; K288-R291 PolarHBondContact O-N 2.75Å; K288-L292 PolarHBondContact O-N 3.33Å
289R93.7Very high95.4Very high97 Ų9751.2 Ų51.237%0.36625%0.252SS..Hα-helixtrans-65.4-42.9174.5-175.8-172.270.5161.92111.2E269 N286 V287 R291 L292 G293E269-R289 IonicContact OE2-NH2 2.74Å; E269-R289 PolarHBondContact OE2-NH2 3.46Å; E269-R289 VanDerWaalsContact OE2-NH2 3.14Å; N286-R289 HydrophobicContact CB-CB 4.06Å; N286-R289 PolarHBondContact O-N 3.3Å; N286-R289 WeakPolarHBondContact OD1-CB 3.41Å; N286-R289 PolarHBondContact OD1-N 3.03Å; V287-R289 PolarHBondContact O-N 3.14Å; R289-R291 VanDerWaalsContact C-N 3.32Å; R289-R291 PolarHBondContact O-N 3.2Å; R289-L292 PolarHBondContact O-N 3.01Å; R289-G293 PolarHBondContact O-N 2.68Å; R289-G293 VanDerWaalsContact O-N 3.08Å
290A95.8Very high95.4Very high2 Ų253.9 Ų53.92%0.01727%0.265CS..Hα-helixtrans-59.2-44.4178.400000111L266 L281 F284 N286 V287 L292 G293 I294L266-A290 HydrophobicContact CD1-CB 3.91Å; L266-A290 WeakPolarHBondContact CD2-O 3.42Å; L281-A290 HydrophobicContact CD2-CB 3.53Å; F284-A290 HydrophobicContact CB-CB 4.06Å; F284-A290 HydrophobicContact CD1-CB 4.36Å; F284-A290 HydrophobicContact CD2-CB 3.95Å; F284-A290 HydrophobicContact CE2-CB 4.48Å; F284-A290 HydrophobicContact CG-CB 3.87Å; N286-A290 PolarHBondContact O-N 3.46Å; V287-A290 PolarHBondContact O-N 3.04Å; A290-L292 PolarHBondContact O-N 3.02Å; A290-G293 PolarHBondContact O-N 2.76Å; A290-G293 VanDerWaalsContact O-N 3.1Å; A290-I294 WeakPolarHBondContact O-CG1 3.08Å; A290-I294 PolarHBondContact O-N 2.9Å
291R93.3Very high95.3Very high52 Ų5255.1 Ų55.120%0.19628%0.278CS..Hα-helixtrans-58-45.3175.2-75.1177.7-178.8138.117.3114.1E95 L281 V287 K288 R289 G293 I294 S295E95-R291 IonicContact OE1-CZ 3.6Å; E95-R291 IonicContact OE1-NE 2.59Å; E95-R291 IonicContact OE1-NH1 3.04Å; E95-R291 PolarHBondContact OE1-NH1 3.06Å; E95-R291 IonicContact OE1-NH2 3.66Å; E95-R291 PolarHBondContact OE1-NH2 3.47Å; E95-R291 IonicContact OE2-CZ 4Å; E95-R291 IonicContact OE2-NH2 3.01Å; E95-R291 PolarHBondContact OE2-NH2 3.01Å; L281-R291 HydrophobicContact CD1-CG 3.7Å; L281-R291 HydrophobicContact CD2-CG 4.38Å; V287-R291 VanDerWaalsContact CG1-CZ 3.47Å; V287-R291 VanDerWaalsContact CG1-NH2 3.27Å; V287-R291 WeakPolarHBondContact O-CG 3.43Å; V287-R291 PolarHBondContact O-N 2.99Å; K288-R291 PolarHBondContact O-N 2.75Å; R289-R291 VanDerWaalsContact C-N 3.32Å; R289-R291 PolarHBondContact O-N 3.2Å; R291-G293 PolarHBondContact O-N 3.42Å; R291-I294 PolarHBondContact O-N 2.94Å; R291-S295 PolarHBondContact O-N 3.33Å
292L94.2Very high95.3Very high98 Ų9855 Ų5551%0.51328%0.277SS..Hα-helixtrans-61.5-36.4177.4-176.367.3000111.6M260 A262 K288 R289 A290 S295M260-L292 HydrophobicContact CE-CD1 3.95Å; M260-L292 HydrophobicContact CE-CD2 4.41Å; M260-L292 HydrophobicContact CE-CG 3.87Å; A262-L292 HydrophobicContact CB-CD2 4.3Å; A262-L292 HydrophobicContact CB-CG 4.45Å; K288-L292 PolarHBondContact O-N 3.33Å; R289-L292 PolarHBondContact O-N 3.01Å; A290-L292 PolarHBondContact O-N 3.02Å; L292-S295 PolarHBondContact O-OG 3.25Å
293G96Very high95.5Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-70.4-41.7174.600000112.9A263 R289 A290 R291 S295 E296 C297A263-G293 WeakPolarHBondContact CB-O 3.12Å; R289-G293 PolarHBondContact O-N 2.68Å; R289-G293 VanDerWaalsContact O-N 3.08Å; A290-G293 PolarHBondContact O-N 2.76Å; A290-G293 VanDerWaalsContact O-N 3.1Å; R291-G293 PolarHBondContact O-N 3.42Å; G293-S295 VanDerWaalsContact C-N 3.3Å; G293-S295 PolarHBondContact O-N 3.33Å; G293-E296 PolarHBondContact O-N 3.48Å; G293-C297 PolarHBondContact O-N 2.95Å; G293-C297 PolarHBondContact O-SG 3.44Å
294I96.6Very high95.5Very high7 Ų755.9 Ų55.94%0.03628%0.279CS..Hα-helixtrans-59.5-39.3-177.5-78.5-171.4000111.6F249 L266 F279 L281 A290 R291 E296 C297 I298F249-I294 HydrophobicContact CD1-CD1 4.11Å; F249-I294 HydrophobicContact CD1-CG2 4.08Å; F249-I294 HydrophobicContact CD2-CD1 3.57Å; F249-I294 HydrophobicContact CE1-CD1 4.12Å; F249-I294 HydrophobicContact CE1-CG2 3.69Å; F249-I294 HydrophobicContact CE2-CD1 3.58Å; F249-I294 HydrophobicContact CG-CD1 3.86Å; F249-I294 HydrophobicContact CZ-CD1 3.86Å; F249-I294 HydrophobicContact CZ-CG2 4.09Å; L266-I294 HydrophobicContact CD2-CB 4.22Å; L266-I294 HydrophobicContact CD2-CG1 3.42Å; L266-I294 VanDerWaalsContact CD2-CG1 3.42Å; L266-I294 VanDerWaalsContact CD2-N 3.31Å; F279-I294 HydrophobicContact CE2-CD1 4.35Å; L281-I294 HydrophobicContact CD1-CD1 4.24Å; L281-I294 HydrophobicContact CD2-CD1 3.44Å; L281-I294 VanDerWaalsContact CD2-CD1 3.44Å; L281-I294 HydrophobicContact CD2-CG1 4.45Å; L281-I294 HydrophobicContact CG-CD1 3.84Å; A290-I294 WeakPolarHBondContact O-CG1 3.08Å; A290-I294 PolarHBondContact O-N 2.9Å; R291-I294 PolarHBondContact O-N 2.94Å; I294-E296 VanDerWaalsContact C-N 3.29Å; I294-E296 PolarHBondContact O-N 2.92Å; I294-C297 PolarHBondContact O-N 3.45Å; I294-I298 HydrophobicContact CG2-CD1 3.34Å; I294-I298 HydrophobicContact CG2-CG1 3.83Å; I294-I298 WeakPolarHBondContact O-CG1 3.49Å; I294-I298 PolarHBondContact O-N 3.14Å
295S95.9Very high95.6Very high67 Ų6757.8 Ų57.847%0.46929%0.292SS..Hα-helixtrans-59.7-36.7-175.456.30000113.7R291 L292 G293 K299R291-S295 PolarHBondContact O-N 3.33Å; L292-S295 PolarHBondContact O-OG 3.25Å; G293-S295 VanDerWaalsContact C-N 3.3Å; G293-S295 PolarHBondContact O-N 3.33Å; S295-K299 WeakPolarHBondContact O-CB 3.41Å; S295-K299 PolarHBondContact O-N 2.92Å
296E96.9Very high95.8Very high15 Ų1550.8 Ų50.87%0.0726%0.255CS..Hα-helixtrans-71.9-42.9174.4-175.5-178-168.600111.1L258 K259 M260 A263 G293 I294 I298 K299 H300L258-E296 HydrophobicContact CD2-CG 3.88Å; K259-E296 WeakPolarHBondContact CA-OE1 3.38Å; K259-E296 WeakPolarHBondContact CB-OE1 3.21Å; K259-E296 PolarHBondContact N-OE1 3.28Å; M260-E296 WeakPolarHBondContact CA-OE2 3.46Å; M260-E296 WeakPolarHBondContact CB-OE2 3.49Å; M260-E296 WeakPolarHBondContact CG-OE2 3.34Å; M260-E296 PolarHBondContact N-OE1 3.35Å; M260-E296 PolarHBondContact N-OE2 2.95Å; M260-E296 HydrophobicContact SD-CB 4.01Å; A263-E296 HydrophobicContact CB-CB 3.92Å; A263-E296 HydrophobicContact CB-CG 4.37Å; A263-E296 WeakPolarHBondContact CB-OE2 3.46Å; G293-E296 PolarHBondContact O-N 3.48Å; I294-E296 VanDerWaalsContact C-N 3.29Å; I294-E296 PolarHBondContact O-N 2.92Å; E296-I298 VanDerWaalsContact C-N 3.32Å; E296-I298 PolarHBondContact O-N 2.85Å; E296-K299 PolarHBondContact O-N 3.32Å; E296-H300 PolarHBondContact O-CD2 3.37Å; E296-H300 PolarHBondContact O-N 3.16Å; E296-H300 VanDerWaalsContact O-N 3.17Å
297C97.8Very high96Very high0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-60.4-41.4179.7-62.90000112.3G293 I294 H300 G301 V302 I303G293-C297 PolarHBondContact O-N 2.95Å; G293-C297 PolarHBondContact O-SG 3.44Å; I294-C297 PolarHBondContact O-N 3.45Å; C297-H300 PolarHBondContact O-N 2.69Å; C297-G301 PolarHBondContact O-N 2.59Å; C297-V302 HydrophobicContact CB-CB 4.32Å; C297-V302 PolarHBondContact O-N 3.07Å; C297-I303 HydrophobicContact CB-CB 3.79Å; C297-I303 HydrophobicContact CB-CD1 3.5Å; C297-I303 VanDerWaalsContact CB-CD1 3.5Å; C297-I303 HydrophobicContact CB-CG1 3.68Å; C297-I303 PolarHBondContact O-N 3.13Å
298I97.4Very high96.2Very high63 Ų6346.7 Ų46.732%0.32323%0.234SC..Hα-helixtrans-64.8-48.3175.1-67.3174.2000110.6F249 I294 E296 H300 G301 I303 P305F249-I298 HydrophobicContact CD1-CD1 4.26Å; F249-I298 HydrophobicContact CE1-CD1 3.81Å; I294-I298 HydrophobicContact CG2-CD1 3.34Å; I294-I298 HydrophobicContact CG2-CG1 3.83Å; I294-I298 WeakPolarHBondContact O-CG1 3.49Å; I294-I298 PolarHBondContact O-N 3.14Å; E296-I298 VanDerWaalsContact C-N 3.32Å; E296-I298 PolarHBondContact O-N 2.85Å; I298-H300 PolarHBondContact O-N 2.95Å; I298-G301 PolarHBondContact O-N 2.65Å; I298-I303 WeakPolarHBondContact CA-O 3.28Å; I298-P305 HydrophobicContact CD1-CB 4.24Å; I298-P305 HydrophobicContact CD1-CG 4.42Å; I298-P305 HydrophobicContact CG2-CG 4.5Å
299K97.1Very high96.5Very high166 Ų16640 Ų4072%0.72221%0.206SC*.Hα-helixtrans-54.3-30.9-179.2-178.2-178.9178.4-176.80112.7S295 E296S295-K299 WeakPolarHBondContact O-CB 3.41Å; S295-K299 PolarHBondContact O-N 2.92Å; E296-K299 PolarHBondContact O-N 3.32Å
300H96.6Very high96.7Very high56 Ų5636 Ų3626%0.25919%0.193SC..THydrogen-bonded Turntrans-106.713.5-179.2-65.6-63.2000114T254 Y256 E296 C297 I298 V302T254-H300 WeakPolarHBondContact CG2-O 3.24Å; Y256-H300 HydrophobicContact CD1-CB 3.67Å; Y256-H300 AromaticContact CD1-CD2 3.96Å; Y256-H300 AromaticContact CD1-CG 3.73Å; Y256-H300 HydrophobicContact CD2-CB 4.06Å; Y256-H300 HydrophobicContact CE1-CB 3.99Å; Y256-H300 AromaticContact CE1-CD2 3.37Å; Y256-H300 WeakPolarHBondContact CE1-CD2 3.49Å; Y256-H300 AromaticContact CE1-CG 3.49Å; Y256-H300 VanDerWaalsContact CE1-CG 3.49Å; Y256-H300 AromaticContact CE1-ND1 3.98Å; Y256-H300 AromaticContact CE1-NE2 3.84Å; Y256-H300 HydrophobicContact CE2-CB 4.34Å; Y256-H300 AromaticContact CE2-CE1 3.91Å; Y256-H300 AromaticContact CE2-CG 3.81Å; Y256-H300 AromaticContact CE2-ND1 3.53Å; Y256-H300 HydrophobicContact CG-CB 3.72Å; Y256-H300 AromaticContact CZ-CD2 3.59Å; Y256-H300 AromaticContact CZ-CE1 3.54Å; Y256-H300 AromaticContact CZ-CG 3.53Å; Y256-H300 AromaticContact CZ-ND1 3.51Å; Y256-H300 AromaticContact CZ-NE2 3.62Å; Y256-H300 PolarHBondContact OH-CE1 2.85Å; Y256-H300 PolarHBondContact OH-NE2 3.04Å; E296-H300 PolarHBondContact O-CD2 3.37Å; E296-H300 PolarHBondContact O-N 3.16Å; E296-H300 VanDerWaalsContact O-N 3.17Å; C297-H300 PolarHBondContact O-N 2.69Å; I298-H300 PolarHBondContact O-N 2.95Å; H300-V302 HydrophobicContact CB-CG2 4.35Å; H300-V302 PolarHBondContact O-N 2.69Å; H300-V302 VanDerWaalsContact O-N 3.16Å
301G96.1Very high96.8Very high28 Ų2836 Ų3629%0.28919%0.193SC..THydrogen-bonded Turntrans69.47.7174.500000115.3N252 T254 C297 I298 I303N252-G301 VanDerWaalsContact CB-O 3.27Å; N252-G301 WeakPolarHBondContact CB-O 3.29Å; N252-G301 PolarHBondContact ND2-O 3.1Å; T254-G301 WeakPolarHBondContact CB-O 2.98Å; T254-G301 PolarHBondContact OG1-O 2.86Å; C297-G301 PolarHBondContact O-N 2.59Å; I298-G301 PolarHBondContact O-N 2.65Å; G301-I303 VanDerWaalsContact C-N 3.33Å
302V96.9Very high97.1Very high2 Ų237.6 Ų37.61%0.01220%0.201CC..SBendtrans-71.7-31.3179.5-1780000111.5N252 L258 Y267 C297 H300N252-V302 PolarHBondContact N-O 2.7Å; L258-V302 HydrophobicContact CD2-CG2 4.46Å; Y267-V302 HydrophobicContact CD2-CG1 3.54Å; Y267-V302 HydrophobicContact CE2-CG1 3.27Å; C297-V302 HydrophobicContact CB-CB 4.32Å; C297-V302 PolarHBondContact O-N 3.07Å; H300-V302 HydrophobicContact CB-CG2 4.35Å; H300-V302 PolarHBondContact O-N 2.69Å; H300-V302 VanDerWaalsContact O-N 3.16Å
303I97.6Very high97.1Very high2 Ų239.6 Ų39.61%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-128.9133.2176.3-67.5176.4000108.2F249 K250 I270 F279 C297 I298 G301F249-I303 HydrophobicContact CB-CG2 3.74Å; F249-I303 HydrophobicContact CD1-CG2 4.01Å; F249-I303 HydrophobicContact CG-CG2 4.23Å; K250-I303 CarbonylContact O-C 3.51Å; K250-I303 VanDerWaalsContact O-CA 3.32Å; K250-I303 WeakPolarHBondContact O-CA 3.09Å; I270-I303 HydrophobicContact CD1-CD1 3.43Å; I270-I303 VanDerWaalsContact CD1-CD1 3.43Å; F279-I303 HydrophobicContact CZ-CD1 4.19Å; F279-I303 HydrophobicContact CZ-CG2 4.3Å; C297-I303 HydrophobicContact CB-CB 3.79Å; C297-I303 HydrophobicContact CB-CD1 3.5Å; C297-I303 VanDerWaalsContact CB-CD1 3.5Å; C297-I303 HydrophobicContact CB-CG1 3.68Å; C297-I303 PolarHBondContact O-N 3.13Å; I298-I303 WeakPolarHBondContact CA-O 3.28Å; G301-I303 VanDerWaalsContact C-N 3.33Å
304E96.8Very high97.1Very high74 Ų7445.2 Ų45.235%0.34624%0.242SC..EExtended strand (participates in β ladder)trans-95.3128.9174-176.1-178-172.300110.1F249 K250F249-E304 CarbonylContact C-O 3.54Å; F249-E304 VanDerWaalsContact CA-O 3.3Å; F249-E304 WeakPolarHBondContact CA-O 3.42Å; K250-E304 VanDerWaalsContact CE-OE2 3.24Å; K250-E304 WeakPolarHBondContact CE-OE2 3.4Å; K250-E304 PolarHBondContact N-O 3.16Å; K250-E304 IonicContact NZ-OE2 2.7Å; K250-E304 PolarHBondContact NZ-OE2 3.16Å; K250-E304 PolarHBondContact O-N 3.09Å
305P97.8Very high97.2Very high48 Ų4846.6 Ų46.631%0.31225%0.249SC..EExtended strand (participates in β ladder)trans-73.3130.1167.730.1-31.1000110.7T246 F249 I298 S307T246-P305 HydrophobicContact CG2-CB 3.99Å; F249-P305 HydrophobicContact CD1-CB 4.18Å; F249-P305 HydrophobicContact CE1-CB 4.01Å; I298-P305 HydrophobicContact CD1-CB 4.24Å; I298-P305 HydrophobicContact CD1-CG 4.42Å; I298-P305 HydrophobicContact CG2-CG 4.5Å; P305-S307 PolarHBondContact O-N 2.93Å
306L97.8Very high97.4Very high17 Ų1745.6 Ų45.69%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-95.577.4171.3-58.3-178.3000108.3F76 H88 T246 L248 K250 P278F76-L306 HydrophobicContact CE2-CD1 4.41Å; H88-L306 WeakPolarHBondContact CB-O 3.29Å; T246-L306 WeakPolarHBondContact CG2-O 3.44Å; L248-L306 HydrophobicContact CB-CB 3.89Å; L248-L306 HydrophobicContact CB-CD1 4.31Å; L248-L306 PolarHBondContact O-N 3.32Å; K250-L306 HydrophobicContact CB-CD1 4.33Å; K250-L306 HydrophobicContact CB-CD2 4.44Å; K250-L306 HydrophobicContact CB-CG 4.45Å; P278-L306 HydrophobicContact CB-CD1 3.87Å; P278-L306 HydrophobicContact CG-CD1 4.11Å
307S97.1Very high97.5Very high24 Ų2444.9 Ų44.917%0.16823%0.232CC..  trans-60.1148.9-175.1-64.30000112.8H88 T246 P305 V309H88-S307 PolarHBondContact ND1-O 2.73Å; T246-S307 WeakPolarHBondContact OG1-CA 3.36Å; T246-S307 PolarHBondContact OG1-OG 3.37Å; P305-S307 PolarHBondContact O-N 2.93Å; S307-V309 PolarHBondContact O-N 2.8Å
308V97.7Very high97.5Very high2 Ų244.9 Ų44.91%0.01223%0.232CC..  trans-71.8123168.7-173.60000107.5Y89 H242 A244Y89-V308 HydrophobicContact CD2-CG1 4.34Å; Y89-V308 HydrophobicContact CD2-CG2 4.2Å; H242-V308 HydrophobicContact CB-CB 4.12Å; H242-V308 HydrophobicContact CB-CG1 3.8Å; H242-V308 PolarHBondContact N-O 3.1Å; A244-V308 HydrophobicContact CB-CB 3.95Å; A244-V308 HydrophobicContact CB-CG1 4Å; A244-V308 HydrophobicContact CB-CG2 3.89Å
309V98Very high97.6Very high21 Ų2141.9 Ų41.913%0.12722%0.217CC..EExtended strand (participates in β ladder)trans-118.4149.5177.8-740000110.2I86 R87 P239 R240 S307I86-V309 HydrophobicContact CB-CG2 4.01Å; I86-V309 WeakPolarHBondContact CB-O 3.47Å; I86-V309 HydrophobicContact CD1-CB 4.44Å; I86-V309 HydrophobicContact CD1-CG2 4.41Å; I86-V309 HydrophobicContact CG2-CG2 4.15Å; I86-V309 PolarHBondContact N-O 3.07Å; R87-V309 HydrophobicContact CG-CG2 3.73Å; P239-V309 HydrophobicContact CB-CB 4.11Å; P239-V309 HydrophobicContact CB-CG1 4.46Å; P239-V309 HydrophobicContact CB-CG2 4.5Å; R240-V309 CarbonylContact O-C 3.49Å; R240-V309 WeakPolarHBondContact O-CA 3.3Å; R240-V309 WeakPolarHBondContact O-CB 3.3Å; S307-V309 PolarHBondContact O-N 2.8Å
310C98.1Very high97.7Very high13 Ų1334.6 Ų34.69%0.08819%0.185CC..EExtended strand (participates in β ladder)trans-141.6162.2-176.868.60000112.5N84 R240 H242N84-C310 CarbonylContact O-C 3.46Å; N84-C310 WeakPolarHBondContact O-CA 3.34Å; R240-C310 PolarHBondContact N-O 3.19Å; R240-C310 PolarHBondContact O-N 3.43Å; H242-C310 HydrophobicContact CB-CB 4.29Å
311E98.1Very high97.8Very high2 Ų232.3 Ų32.31%0.00918%0.175CC..  trans-88.9-179.1162.1-93.9-79.9-160.100111.5N84 I86 S233 D236 G237 E315 V317N84-E311 HydrophobicContact CB-CB 4.22Å; N84-E311 PolarHBondContact ND2-O 3.41Å; N84-E311 PolarHBondContact O-N 2.7Å; I86-E311 HydrophobicContact CD1-CG 4.34Å; S233-E311 WeakPolarHBondContact CB-OE1 3.46Å; S233-E311 VanDerWaalsContact OG-CG 3.25Å; S233-E311 WeakPolarHBondContact OG-CG 3.48Å; S233-E311 PolarHBondContact OG-OE1 3.25Å; D236-E311 PolarHBondContact N-OE1 3.13Å; G237-E311 VanDerWaalsContact CA-OE1 3.26Å; G237-E311 WeakPolarHBondContact CA-OE1 3.48Å; G237-E311 PolarHBondContact N-OE1 3.32Å; E311-E315 HydrophobicContact CB-CB 4.04Å; E311-V317 HydrophobicContact CB-CG2 3.97Å; E311-V317 HydrophobicContact CG-CG2 3.82Å
312K97.6Very high97.9Very high84 Ų8431.3 Ų31.337%0.36516%0.162SC..  trans-56.8150.5169.3-58.7176.6-1701590110.8N84 D236 R240 D314 E315N84-K312 WeakPolarHBondContact CB-O 3.05Å; D236-K312 IonicContact OD2-NZ 3.62Å; R240-K312 VanDerWaalsContact NH2-CE 3.3Å; K312-D314 WeakPolarHBondContact CB-OD1 3.41Å; K312-D314 PolarHBondContact O-N 3.2Å; K312-D314 VanDerWaalsContact O-N 3.14Å; K312-E315 HydrophobicContact CB-CG 3.97Å; K312-E315 WeakPolarHBondContact O-CB 3.38Å; K312-E315 PolarHBondContact O-N 3.23Å
313D95.3Very high98Very high140 Ų14031.2 Ų31.275%0.74916%0.162SC*.THydrogen-bonded Turntrans-59.8-27.2-172.2-62.6-18.1000114.3N84N84-D313 PolarHBondContact ND2-OD1 3.09Å
314D96.9Very high98Very high119 Ų11931.1 Ų31.164%0.63616%0.161SC*.THydrogen-bonded Turntrans-90.3-1.1-179.961.1-34.7000114.3K312K312-D314 WeakPolarHBondContact CB-OD1 3.41Å; K312-D314 PolarHBondContact O-N 3.2Å; K312-D314 VanDerWaalsContact O-N 3.14Å
315E98.6Very high98.1Very high36 Ų3627.6 Ų27.617%0.16815%0.145CC..  trans-97.9164.9-179.8-59.4-69.4-175.800112.2N84 T234 G235 E311 K312N84-E315 WeakPolarHBondContact CA-O 3.36Å; N84-E315 WeakPolarHBondContact CB-O 3.3Å; N84-E315 PolarHBondContact N-O 2.72Å; T234-E315 WeakPolarHBondContact CB-OE2 3.18Å; T234-E315 WeakPolarHBondContact OG1-CA 3.34Å; T234-E315 PolarHBondContact OG1-OE2 3.27Å; G235-E315 WeakPolarHBondContact CA-OE1 3.24Å; G235-E315 WeakPolarHBondContact CA-OE2 3.11Å; G235-E315 PolarHBondContact N-OE2 3.28Å; G235-E315 VanDerWaalsContact N-OE2 3.11Å; E311-E315 HydrophobicContact CB-CB 4.04Å; K312-E315 HydrophobicContact CB-CG 3.97Å; K312-E315 WeakPolarHBondContact O-CB 3.38Å; K312-E315 PolarHBondContact O-N 3.23Å
316F98.8Very high98Very high45 Ų4525.5 Ų25.520%0.19713%0.131CC..  trans-126.3142.1179.3-57.7-69.6000110.5N83 L107 R140 K141 V144 T234N83-F316 HydrophobicContact CB-CD1 4.19Å; N83-F316 HydrophobicContact CB-CE1 4.33Å; L107-F316 HydrophobicContact CD1-CB 4.24Å; R140-F316 HydrophobicContact CB-CD2 4.02Å; R140-F316 HydrophobicContact CB-CE2 4.35Å; K141-F316 HydrophobicContact CD-CD1 4.31Å; K141-F316 HydrophobicContact CD-CE1 4.19Å; K141-F316 HydrophobicContact CD-CZ 4.41Å; K141-F316 VanDerWaalsContact CE-CD1 3.46Å; K141-F316 HydrophobicContact CG-CB 4.45Å; K141-F316 HydrophobicContact CG-CD1 3.84Å; K141-F316 HydrophobicContact CG-CD2 3.87Å; K141-F316 HydrophobicContact CG-CE1 4.07Å; K141-F316 HydrophobicContact CG-CE2 4.06Å; K141-F316 HydrophobicContact CG-CG 3.75Å; K141-F316 HydrophobicContact CG-CZ 4.16Å; V144-F316 HydrophobicContact CG1-CB 4.08Å; T234-F316 HydrophobicContact CG2-CB 4.05Å; T234-F316 HydrophobicContact CG2-CD2 4.49Å; T234-F316 PolarHBondContact N-O 3.25Å; T234-F316 PolarHBondContact OG1-N 3.4Å; T234-F316 PolarHBondContact OG1-O 3.08Å
317V98.9Very high97.9Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-125.1122.9179.7-179.60000109.6N83 I86 L107 K109 V184 I231 V232 E311N83-V317 PolarHBondContact O-N 3.47Å; I86-V317 HydrophobicContact CB-CG1 4.31Å; I86-V317 HydrophobicContact CG1-CB 4.38Å; I86-V317 HydrophobicContact CG1-CG1 4.08Å; I86-V317 HydrophobicContact CG1-CG2 3.8Å; I86-V317 HydrophobicContact CG2-CG1 4.34Å; L107-V317 WeakPolarHBondContact CD2-O 3.22Å; K109-V317 HydrophobicContact CD-CG1 4.44Å; K109-V317 WeakPolarHBondContact CD-O 3.39Å; K109-V317 WeakPolarHBondContact CE-O 3.5Å; K109-V317 PolarHBondContact NZ-O 3.25Å; V184-V317 HydrophobicContact CG2-CG1 4.46Å; I231-V317 HydrophobicContact CG2-CG1 3.4Å; I231-V317 VanDerWaalsContact CG2-CG1 3.4Å; V232-V317 CarbonylContact O-C 3.49Å; V232-V317 VanDerWaalsContact O-CA 3.27Å; V232-V317 WeakPolarHBondContact O-CA 3.42Å; V232-V317 WeakPolarHBondContact O-CG1 3.4Å; E311-V317 HydrophobicContact CB-CG2 3.97Å; E311-V317 HydrophobicContact CG-CG2 3.82Å
318A98.9Very high97.6Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-109.6146.5173.200000111.4T126 V144 I145 A148 I231 V232T126-A318 HydrophobicContact CG2-CB 3.88Å; V144-A318 HydrophobicContact CB-CB 4.43Å; V144-A318 HydrophobicContact CG1-CB 4.01Å; V144-A318 HydrophobicContact CG2-CB 4.02Å; I145-A318 HydrophobicContact CB-CB 4.48Å; I145-A318 HydrophobicContact CG1-CB 3.88Å; A148-A318 HydrophobicContact CB-CB 3.93Å; I231-A318 WeakPolarHBondContact CA-O 3.45Å; V232-A318 PolarHBondContact N-O 3.49Å; V232-A318 PolarHBondContact O-N 2.93Å
319Q98.8Very high97.3Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-131.3137.6179.4178.3-170.726.200111.8K109 D111 T126 D229 I230 I231 R321K109-Q319 HydrophobicContact CD-CB 3.59Å; K109-Q319 HydrophobicContact CG-CB 3.98Å; D111-Q319 PolarHBondContact OD1-NE2 3.25Å; D111-Q319 PolarHBondContact OD2-OE1 3.39Å; D111-Q319 VanDerWaalsContact OD2-OE1 3.14Å; T126-Q319 WeakPolarHBondContact CB-O 3.47Å; T126-Q319 PolarHBondContact N-O 2.93Å; T126-Q319 PolarHBondContact OG1-N 3.44Å; T126-Q319 PolarHBondContact OG1-O 3.01Å; D229-Q319 WeakPolarHBondContact OD1-CG 3.39Å; D229-Q319 PolarHBondContact OD1-NE2 3.33Å; I230-Q319 CarbonylContact O-C 3.32Å; I230-Q319 WeakPolarHBondContact O-CA 3.24Å; I231-Q319 HydrophobicContact CG1-CB 4.25Å; I231-Q319 HydrophobicContact CG1-CG 3.93Å; Q319-R321 HydrophobicContact CG-CB 4.26Å
320F98.8Very high97Very high13 Ų1331 Ų316%0.05716%0.163CC..EExtended strand (participates in β ladder)trans-129.4112.7161.2-72-88.1000109.1H125 I145 A148 H149 A152 I230 F339H125-F320 AromaticContact CE1-CE1 3.66Å; H125-F320 AromaticContact ND1-CD1 3.97Å; H125-F320 AromaticContact ND1-CE1 3.79Å; I145-F320 HydrophobicContact CG2-CE2 4.24Å; I145-F320 HydrophobicContact CG2-CZ 4.18Å; I145-F320 WeakPolarHBondContact O-CE2 3.09Å; A148-F320 HydrophobicContact CB-CD2 3.7Å; A148-F320 HydrophobicContact CB-CE2 4.06Å; H149-F320 HydrophobicContact CB-CD2 4.08Å; H149-F320 HydrophobicContact CB-CE2 3.68Å; H149-F320 HydrophobicContact CB-CZ 3.97Å; A152-F320 HydrophobicContact CB-CB 3.89Å; I230-F320 PolarHBondContact N-O 3.23Å; I230-F320 PolarHBondContact O-N 3.04Å; F320-F339 AromaticContact CE1-CD2 3.88Å; F320-F339 HydrophobicContact CE1-CD2 3.88Å; F320-F339 HydrophobicContact CE1-CE2 4.37Å; F320-F339 HydrophobicContact CE1-CG 4.37Å; F320-F339 AromaticContact CZ-CD2 3.71Å; F320-F339 HydrophobicContact CZ-CD2 3.71Å; F320-F339 AromaticContact CZ-CE2 3.74Å; F320-F339 HydrophobicContact CZ-CE2 3.74Å; F320-F339 HydrophobicContact CZ-CG 4.39Å; F320-F339 HydrophobicContact CZ-CZ 4.43Å
321R98.8Very high97Very high8 Ų830.4 Ų30.43%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-122.6135.1-178.6175.2-173.3-173.2169.99.7110.9D111 I122 V123 G124 Y197 N227 V228 D229 Q319D111-R321 VanDerWaalsContact OD1-CD 3.31Å; D111-R321 WeakPolarHBondContact OD1-CD 2.97Å; D111-R321 IonicContact OD1-CZ 3.43Å; D111-R321 IonicContact OD1-NH1 2.66Å; D111-R321 PolarHBondContact OD1-NH1 3.07Å; I122-R321 VanDerWaalsContact CG2-NE 3.33Å; V123-R321 WeakPolarHBondContact CA-O 3.38Å; G124-R321 PolarHBondContact N-O 2.74Å; G124-R321 PolarHBondContact O-N 2.86Å; Y197-R321 PolarHBondContact OH-NH2 3.25Å; N227-R321 PolarHBondContact ND2-NE 3.37Å; N227-R321 PolarHBondContact ND2-NH2 2.77Å; N227-R321 WeakPolarHBondContact OD1-CG 3.35Å; N227-R321 PolarHBondContact OD1-NE 2.89Å; V228-R321 CarbonylContact O-C 3.6Å; V228-R321 WeakPolarHBondContact O-CA 3.18Å; V228-R321 VanDerWaalsContact O-CG 3.27Å; V228-R321 WeakPolarHBondContact O-CG 3.33Å; D229-R321 HydrophobicContact CB-CB 4.24Å; D229-R321 HydrophobicContact CB-CG 3.93Å; Q319-R321 HydrophobicContact CG-CB 4.26Å
322F98.8Very high96.9Very high7 Ų732 Ų323%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-154.3155-177.554.8-88.2000112A152 I156 V228 V324 K333 T335A152-F322 HydrophobicContact CB-CE1 3.89Å; I156-F322 HydrophobicContact CB-CE2 4.14Å; I156-F322 HydrophobicContact CB-CZ 4.06Å; I156-F322 HydrophobicContact CD1-CE2 4.15Å; I156-F322 HydrophobicContact CG1-CE2 4.27Å; V228-F322 HydrophobicContact CB-CD1 4.43Å; V228-F322 HydrophobicContact CB-CD2 4.1Å; V228-F322 HydrophobicContact CB-CE1 4.07Å; V228-F322 HydrophobicContact CB-CE2 3.73Å; V228-F322 HydrophobicContact CB-CG 4.44Å; V228-F322 HydrophobicContact CB-CZ 3.72Å; V228-F322 HydrophobicContact CG1-CE1 3.81Å; V228-F322 HydrophobicContact CG1-CE2 4.09Å; V228-F322 HydrophobicContact CG1-CZ 3.55Å; V228-F322 HydrophobicContact CG2-CD2 4.29Å; V228-F322 HydrophobicContact CG2-CE2 3.73Å; V228-F322 HydrophobicContact CG2-CZ 4.06Å; V228-F322 PolarHBondContact N-O 2.95Å; V228-F322 PolarHBondContact O-N 3.47Å; F322-V324 HydrophobicContact CD2-CB 4.24Å; F322-V324 HydrophobicContact CE2-CB 4.33Å; F322-V324 HydrophobicContact CE2-CG1 4.35Å; F322-K333 HydrophobicContact CB-CD 4.06Å; F322-K333 HydrophobicContact CB-CG 4.21Å; F322-K333 HydrophobicContact CD1-CD 4.34Å; F322-K333 HydrophobicContact CD2-CD 3.68Å; F322-K333 HydrophobicContact CD2-CG 3.89Å; F322-K333 HydrophobicContact CE2-CD 4.2Å; F322-K333 HydrophobicContact CG-CD 3.76Å; F322-K333 HydrophobicContact CG-CG 4.21Å; F322-T335 WeakPolarHBondContact CA-OG1 3.48Å; F322-T335 WeakPolarHBondContact CB-O 3.32Å
323T98.8Very high96.9Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-96.1132.6173.5-56.30000109.8T121 I122 M192 V225 W226 L325 V334 T335T121-T323 WeakPolarHBondContact CA-OG1 3.27Å; T121-T323 HydrophobicContact CG2-CG2 3.94Å; I122-T323 PolarHBondContact N-OG1 2.79Å; I122-T323 PolarHBondContact O-N 3.47Å; I122-T323 PolarHBondContact O-OG1 3Å; M192-T323 HydrophobicContact CE-CG2 3.38Å; V225-T323 HydrophobicContact CG1-CG2 3.8Å; W226-T323 WeakPolarHBondContact O-CA 3.41Å; T323-L325 HydrophobicContact CG2-CD1 4.37Å; T323-V334 HydrophobicContact CG2-CG2 3.94Å; T323-V334 WeakPolarHBondContact O-CG2 3.43Å; T323-V334 PolarHBondContact O-N 3.27Å; T323-T335 PolarHBondContact N-OG1 3.35Å; T323-T335 PolarHBondContact O-N 3.1Å
324V98.5Very high97Very high0 Ų026.1 Ų26.10%014%0.137CC..EExtended strand (participates in β ladder)trans-136.3134.2-176.562.20000110.9I156 L159 V225 W226 V228 F322 L326 P331 M332I156-V324 HydrophobicContact CG1-CG2 4.44Å; L159-V324 HydrophobicContact CD1-CG1 3.42Å; L159-V324 VanDerWaalsContact CD1-CG1 3.42Å; L159-V324 HydrophobicContact CD1-CG2 4.47Å; V225-V324 WeakPolarHBondContact CA-O 3.39Å; W226-V324 HydrophobicContact CB-CG1 3.78Å; W226-V324 PolarHBondContact N-O 2.89Å; W226-V324 PolarHBondContact O-N 2.89Å; V228-V324 HydrophobicContact CG2-CG1 3.79Å; F322-V324 HydrophobicContact CD2-CB 4.24Å; F322-V324 HydrophobicContact CE2-CB 4.33Å; F322-V324 HydrophobicContact CE2-CG1 4.35Å; V324-L326 HydrophobicContact CG1-CD2 4.39Å; V324-L326 HydrophobicContact CG2-CD2 4.14Å; V324-P331 HydrophobicContact CG2-CB 3.62Å; V324-M332 WeakPolarHBondContact CA-O 3.47Å
325L97.9Very high97.1Very high0 Ų020.5 Ų20.50%011%0.107CC..EExtended strand (participates in β ladder)trans-102.1126.6177.4-71.860.3000108.1V12 V18 Y21 V225 T323 M327 M332 V334V12-L325 HydrophobicContact CB-CD2 4.24Å; V12-L325 HydrophobicContact CG1-CD2 3.89Å; V12-L325 HydrophobicContact CG1-CG 4Å; V18-L325 HydrophobicContact CG1-CD2 4.49Å; Y21-L325 HydrophobicContact CD2-CD2 4.03Å; Y21-L325 HydrophobicContact CD2-CG 4.46Å; Y21-L325 HydrophobicContact CG-CD1 4.3Å; Y21-L325 HydrophobicContact CG-CD2 4.16Å; V225-L325 HydrophobicContact CG1-CD1 4.21Å; V225-L325 HydrophobicContact CG2-CG 4.03Å; T323-L325 HydrophobicContact CG2-CD1 4.37Å; L325-M327 HydrophobicContact CB-CG 4.4Å; L325-M327 HydrophobicContact CB-SD 3.94Å; L325-M327 PolarHBondContact O-N 3.14Å; L325-M327 VanDerWaalsContact O-N 3.13Å; L325-M332 HydrophobicContact CB-CB 4.37Å; L325-M332 PolarHBondContact N-O 2.98Å; L325-M332 PolarHBondContact O-N 3.33Å; L325-V334 HydrophobicContact CD1-CB 4.33Å; L325-V334 HydrophobicContact CD1-CG1 3.76Å; L325-V334 HydrophobicContact CD1-CG2 3.58Å; L325-V334 HydrophobicContact CD2-CG1 4.45Å
326L96.6Very high97Very high4 Ų420 Ų202%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-86.985.9-178-56.3-158.4000110.1L159 F220 D221 N223 D224 V324 P331L159-L326 HydrophobicContact CB-CD1 4.28Å; L159-L326 HydrophobicContact CB-CD2 3.72Å; L159-L326 HydrophobicContact CD1-CD2 4.41Å; F220-L326 HydrophobicContact CB-CD1 3.74Å; F220-L326 HydrophobicContact CG-CD1 4.45Å; D221-L326 WeakPolarHBondContact O-CB 3.45Å; N223-L326 PolarHBondContact N-O 2.92Å; D224-L326 HydrophobicContact CB-CB 4.37Å; D224-L326 HydrophobicContact CB-CD1 3.97Å; D224-L326 HydrophobicContact CB-CG 4.05Å; D224-L326 WeakPolarHBondContact O-CB 3.41Å; D224-L326 WeakPolarHBondContact O-CG 3.32Å; D224-L326 PolarHBondContact O-N 3.22Å; V324-L326 HydrophobicContact CG1-CD2 4.39Å; V324-L326 HydrophobicContact CG2-CD2 4.14Å; L326-P331 HydrophobicContact CD2-CB 4.31Å; L326-P331 HydrophobicContact CD2-CG 4.22Å
327M94.8Very high96.9Very high28 Ų2820 Ų2014%0.13811%0.113CC..EExtended strand (participates in β ladder)trans-82.3159.9-177.7-51.6-60.9-62.900111.5V12 V18 L325 N329 G330 M332V12-M327 HydrophobicContact CB-SD 4.26Å; V12-M327 HydrophobicContact CG2-SD 4.04Å; V12-M327 WeakPolarHBondContact O-CE 3.44Å; V18-M327 HydrophobicContact CG2-CE 4.18Å; L325-M327 HydrophobicContact CB-CG 4.4Å; L325-M327 HydrophobicContact CB-SD 3.94Å; L325-M327 PolarHBondContact O-N 3.14Å; L325-M327 VanDerWaalsContact O-N 3.13Å; M327-N329 WeakPolarHBondContact CB-OD1 3.44Å; M327-N329 PolarHBondContact O-N 2.95Å; M327-N329 VanDerWaalsContact O-N 3.08Å; M327-G330 WeakPolarHBondContact CB-O 3.44Å; M327-G330 PolarHBondContact N-O 2.85Å; M327-G330 WeakPolarHBondContact O-CA 3.32Å; M327-G330 PolarHBondContact O-N 3.46Å; M327-M332 HydrophobicContact CG-CB 3.8Å; M327-M332 HydrophobicContact CG-CE 4.03Å
328P91.9Very high96.7Very high76 Ų7626.8 Ų26.849%0.49416%0.155SC..THydrogen-bonded Turntrans-56.2-26.5176-28.435.4000115.2L13 I222 G330L13-P328 HydrophobicContact CD2-CG 3.75Å; I222-P328 HydrophobicContact CG2-CG 4.08Å; P328-G330 VanDerWaalsContact C-N 3.34Å
329N90.5Very high96.6Very high67 Ų6727.9 Ų27.936%0.35816%0.159SC..THydrogen-bonded Turntrans-93.811.8176.665.3-5.9000113.7M327 I365M327-N329 WeakPolarHBondContact CB-OD1 3.44Å; M327-N329 PolarHBondContact O-N 2.95Å; M327-N329 VanDerWaalsContact O-N 3.08Å; N329-I365 PolarHBondContact O-N 2.82Å
330G92.5Very high96.5Very high8 Ų831.1 Ų31.18%0.08218%0.177CC..EExtended strand (participates in β ladder)trans104.8177.8-179.900000113.7M327 P328 M332M327-G330 WeakPolarHBondContact CB-O 3.44Å; M327-G330 PolarHBondContact N-O 2.85Å; M327-G330 WeakPolarHBondContact O-CA 3.32Å; M327-G330 PolarHBondContact O-N 3.46Å; P328-G330 VanDerWaalsContact C-N 3.34Å; G330-M332 PolarHBondContact O-N 3.3Å
331P96.5Very high96.4Very high2 Ų233.9 Ų33.91%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-58.3130.7-173.9-30.940.9000113.8I156 L159 V324 L326 V363I156-P331 HydrophobicContact CG1-CB 3.95Å; I156-P331 WeakPolarHBondContact O-CG 3.43Å; L159-P331 HydrophobicContact CB-CG 4.14Å; L159-P331 WeakPolarHBondContact O-CG 3.35Å; V324-P331 HydrophobicContact CG2-CB 3.62Å; L326-P331 HydrophobicContact CD2-CB 4.31Å; L326-P331 HydrophobicContact CD2-CG 4.22Å; P331-V363 HydrophobicContact CB-CG1 4.04Å; P331-V363 WeakPolarHBondContact CD-O 3.37Å
332M96.5Very high96.4Very high34 Ų3436 Ų3617%0.16721%0.212CC..EExtended strand (participates in β ladder)trans-107.794.7170.3-176.3-176.1-63.900109V324 L325 M327 G330 V334V324-M332 WeakPolarHBondContact CA-O 3.47Å; L325-M332 HydrophobicContact CB-CB 4.37Å; L325-M332 PolarHBondContact N-O 2.98Å; L325-M332 PolarHBondContact O-N 3.33Å; M327-M332 HydrophobicContact CG-CB 3.8Å; M327-M332 HydrophobicContact CG-CE 4.03Å; G330-M332 PolarHBondContact O-N 3.3Å; M332-V334 HydrophobicContact CG-CG1 4.04Å; M332-V334 PolarHBondContact O-N 3.33Å; M332-V334 HydrophobicContact SD-CG1 4.2Å
333K97.3Very high96.3Very high79 Ų7937.2 Ų37.234%0.34322%0.218SC..EExtended strand (participates in β ladder)trans-68.2113.5169.9-179.7166.672.5179.50108.8E153 I156 F322 T335E153-K333 IonicContact OE1-NZ 4Å; E153-K333 PolarHBondContact OE1-NZ 2.87Å; I156-K333 HydrophobicContact CD1-CB 3.65Å; I156-K333 HydrophobicContact CD1-CD 4.04Å; I156-K333 HydrophobicContact CD1-CG 4.35Å; F322-K333 HydrophobicContact CB-CD 4.06Å; F322-K333 HydrophobicContact CB-CG 4.21Å; F322-K333 HydrophobicContact CD1-CD 4.34Å; F322-K333 HydrophobicContact CD2-CD 3.68Å; F322-K333 HydrophobicContact CD2-CG 3.89Å; F322-K333 HydrophobicContact CE2-CD 4.2Å; F322-K333 HydrophobicContact CG-CD 3.76Å; F322-K333 HydrophobicContact CG-CG 4.21Å; K333-T335 WeakPolarHBondContact CG-O 3.37Å
334V98.3Very high96.3Very high22 Ų2238 Ų3813%0.13322%0.222CC..  trans-97.5-31.4-178-67.70000112K22 A25 N29 T121 T323 L325 M332K22-V334 HydrophobicContact CG-CG1 4.48Å; A25-V334 HydrophobicContact CB-CB 3.73Å; A25-V334 HydrophobicContact CB-CG2 3.93Å; A25-V334 WeakPolarHBondContact CB-O 3.35Å; N29-V334 PolarHBondContact ND2-O 2.83Å; N29-V334 VanDerWaalsContact ND2-O 3.09Å; T121-V334 HydrophobicContact CG2-CG2 4.06Å; T323-V334 HydrophobicContact CG2-CG2 3.94Å; T323-V334 WeakPolarHBondContact O-CG2 3.43Å; T323-V334 PolarHBondContact O-N 3.27Å; L325-V334 HydrophobicContact CD1-CB 4.33Å; L325-V334 HydrophobicContact CD1-CG1 3.76Å; L325-V334 HydrophobicContact CD1-CG2 3.58Å; L325-V334 HydrophobicContact CD2-CG1 4.45Å; M332-V334 HydrophobicContact CG-CG1 4.04Å; M332-V334 PolarHBondContact O-N 3.33Å; M332-V334 HydrophobicContact SD-CG1 4.2Å
335T98.8Very high96.3Very high2 Ų244.9 Ų44.91%0.01225%0.252CS..SBendtrans-110.1163171.860.30000113.2A25 T28 N29 T121 I122 F322 T323 K333A25-T335 HydrophobicContact CB-CG2 3.57Å; T28-T335 HydrophobicContact CG2-CG2 3.93Å; N29-T335 VanDerWaalsContact OD1-CA 3.25Å; N29-T335 WeakPolarHBondContact OD1-CA 3.43Å; N29-T335 WeakPolarHBondContact OD1-CB 3.38Å; T121-T335 HydrophobicContact CG2-CG2 4.33Å; I122-T335 PolarHBondContact O-OG1 3.27Å; F322-T335 WeakPolarHBondContact CA-OG1 3.48Å; F322-T335 WeakPolarHBondContact CB-O 3.32Å; T323-T335 PolarHBondContact N-OG1 3.35Å; T323-T335 PolarHBondContact O-N 3.1Å; K333-T335 WeakPolarHBondContact CG-O 3.37Å
336G97.2Very high96.3Very high24 Ų2446.1 Ų46.125%0.24726%0.26CS..  trans111.2154.3-176.300000111.6N29N29-G336 PolarHBondContact OD1-N 3.09Å
337L96.3Very high96.3Very high45 Ų4555.2 Ų55.224%0.23630%0.303CS..PPolyproline II helixtrans-103.6164.2-179.7-54.5-176.5000110.9N29 L32 V33 I36 F339N29-L337 HydrophobicContact CB-CD2 4.47Å; L32-L337 HydrophobicContact CD2-CD1 3.67Å; L32-L337 HydrophobicContact CD2-CD2 4.25Å; L32-L337 HydrophobicContact CD2-CG 3.68Å; L32-L337 HydrophobicContact CG-CD1 3.99Å; L32-L337 HydrophobicContact CG-CG 4.46Å; V33-L337 HydrophobicContact CG2-CD1 3.93Å; V33-L337 HydrophobicContact CG2-CD2 3.61Å; V33-L337 HydrophobicContact CG2-CG 4.45Å; I36-L337 HydrophobicContact CD1-CD1 3.45Å; I36-L337 VanDerWaalsContact CD1-CD1 3.45Å; L337-F339 PolarHBondContact O-N 2.96Å
338T94.9Very high96.5Very high144 Ų14456.7 Ų56.788%0.88331%0.309SS*.PPolyproline II helixtrans-67.7127166.7-59.10000108.2
339F97.1Very high96.7Very high22 Ų2259.9 Ų59.910%0.09632%0.315CS..PPolyproline II helixtrans-95.3130.7175.9175.7-108.7000109.6I145 L146 H149 F320 L337 P341 Y344I145-F339 HydrophobicContact CG2-CE2 3.62Å; I145-F339 HydrophobicContact CG2-CZ 3.65Å; L146-F339 HydrophobicContact CD2-CE1 4.07Å; L146-F339 HydrophobicContact CD2-CZ 4.2Å; H149-F339 HydrophobicContact CB-CD1 4.15Å; H149-F339 HydrophobicContact CB-CE1 3.94Å; H149-F339 HydrophobicContact CB-CZ 4.34Å; H149-F339 AromaticContact CD2-CD1 3.26Å; H149-F339 WeakPolarHBondContact CD2-CD1 3.44Å; H149-F339 AromaticContact CD2-CE1 3.96Å; H149-F339 AromaticContact CD2-CG 3.4Å; H149-F339 WeakPolarHBondContact CD2-CG 3.34Å; H149-F339 AromaticContact CE1-CD1 3.6Å; H149-F339 AromaticContact CG-CD1 3.38Å; H149-F339 AromaticContact CG-CE1 3.63Å; H149-F339 AromaticContact CG-CG 3.96Å; H149-F339 AromaticContact ND1-CD1 3.59Å; H149-F339 AromaticContact ND1-CE1 3.9Å; H149-F339 WeakPolarHBondContact NE2-CB 3.2Å; H149-F339 AromaticContact NE2-CD1 3.41Å; H149-F339 WeakPolarHBondContact NE2-CD1 3.07Å; H149-F339 AromaticContact NE2-CG 3.66Å; F320-F339 AromaticContact CE1-CD2 3.88Å; F320-F339 HydrophobicContact CE1-CD2 3.88Å; F320-F339 HydrophobicContact CE1-CE2 4.37Å; F320-F339 HydrophobicContact CE1-CG 4.37Å; F320-F339 AromaticContact CZ-CD2 3.71Å; F320-F339 HydrophobicContact CZ-CD2 3.71Å; F320-F339 AromaticContact CZ-CE2 3.74Å; F320-F339 HydrophobicContact CZ-CE2 3.74Å; F320-F339 HydrophobicContact CZ-CG 4.39Å; F320-F339 HydrophobicContact CZ-CZ 4.43Å; L337-F339 PolarHBondContact O-N 2.96Å; F339-P341 HydrophobicContact CD1-CB 4.17Å; F339-P341 HydrophobicContact CE1-CB 3.72Å; F339-P341 WeakPolarHBondContact O-CD 3.34Å; F339-Y344 HydrophobicContact CD2-CE2 4.39Å; F339-Y344 AromaticContact CE2-CD2 3.82Å; F339-Y344 HydrophobicContact CE2-CD2 3.82Å; F339-Y344 AromaticContact CE2-CE2 3.35Å; F339-Y344 HydrophobicContact CE2-CE2 3.35Å; F339-Y344 AromaticContact CZ-CD2 3.52Å; F339-Y344 HydrophobicContact CZ-CD2 3.52Å; F339-Y344 AromaticContact CZ-CE2 3.6Å; F339-Y344 HydrophobicContact CZ-CE2 3.6Å; F339-Y344 HydrophobicContact CZ-CG 4.46Å
340D97.1Very high97.1Very high69 Ų6957.6 Ų57.637%0.36930%0.304SS..  trans-97.296.1172.6-176.82.7000109.9Q133 S342 L343Q133-D340 PolarHBondContact NE2-OD2 3.26Å; D340-S342 VanDerWaalsContact CG-OG 3.25Å; D340-S342 PolarHBondContact O-N 2.88Å; D340-S342 VanDerWaalsContact O-N 3.16Å; D340-S342 VanDerWaalsContact OD1-CB 3.29Å; D340-S342 WeakPolarHBondContact OD1-CB 3.49Å; D340-S342 PolarHBondContact OD1-N 2.95Å; D340-S342 PolarHBondContact OD1-OG 3.05Å; D340-S342 PolarHBondContact OD2-OG 3.01Å; D340-L343 HydrophobicContact CB-CD1 4.19Å; D340-L343 HydrophobicContact CB-CG 4.15Å; D340-L343 PolarHBondContact O-N 3.19Å
341P96.2Very high97.3Very high70 Ų7062.9 Ų62.946%0.45532%0.324SS..G310 helixtrans-64.3-18178.727.1-35.4000112.8L146 F339 L343 Y344L146-P341 HydrophobicContact CD2-CB 4.09Å; F339-P341 HydrophobicContact CD1-CB 4.17Å; F339-P341 HydrophobicContact CE1-CB 3.72Å; F339-P341 WeakPolarHBondContact O-CD 3.34Å; P341-L343 PolarHBondContact O-N 3.24Å; P341-Y344 PolarHBondContact O-N 3.47Å; P341-Y344 VanDerWaalsContact O-N 3.1Å; P341-Y344 VanDerWaalsContact O-O 3.04Å
342S97.1Very high97.4Very high52 Ų5264.6 Ų64.636%0.36433%0.333SS..G310 helixtrans-74-11.4-175.374.90000114.2Q133 K136 D340 Y344Q133-S342 PolarHBondContact NE2-OG 3.49Å; K136-S342 WeakPolarHBondContact CE-O 3.03Å; K136-S342 PolarHBondContact NZ-O 3.4Å; D340-S342 VanDerWaalsContact CG-OG 3.25Å; D340-S342 PolarHBondContact O-N 2.88Å; D340-S342 VanDerWaalsContact O-N 3.16Å; D340-S342 VanDerWaalsContact OD1-CB 3.29Å; D340-S342 WeakPolarHBondContact OD1-CB 3.49Å; D340-S342 PolarHBondContact OD1-N 2.95Å; D340-S342 PolarHBondContact OD1-OG 3.05Å; D340-S342 PolarHBondContact OD2-OG 3.01Å; S342-Y344 VanDerWaalsContact C-N 3.26Å
343L98.3Very high97.4Very high33 Ų3367.7 Ų67.717%0.17336%0.356CS..G310 helixtrans-75.3-14170-58.6-178.7000113S132 Q133 K136 I137 D340 P341S132-L343 VanDerWaalsContact C-CD2 3.44Å; Q133-L343 HydrophobicContact CG-CD2 4.25Å; K136-L343 WeakPolarHBondContact CA-O 3.39Å; I137-L343 PolarHBondContact N-O 3.04Å; D340-L343 HydrophobicContact CB-CD1 4.19Å; D340-L343 HydrophobicContact CB-CG 4.15Å; D340-L343 PolarHBondContact O-N 3.19Å; P341-L343 PolarHBondContact O-N 3.24Å
344Y98.6Very high97.4Very high17 Ų1767.5 Ų67.57%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-122128.2-173.7-53.6-84000110.2V128 I137 I145 F339 P341 S342V128-Y344 HydrophobicContact CG2-CE1 4.24Å; I137-Y344 HydrophobicContact CB-CD1 3.79Å; I137-Y344 HydrophobicContact CB-CE1 4.14Å; I137-Y344 HydrophobicContact CG1-CD1 4.23Å; I137-Y344 HydrophobicContact CG1-CE1 4.09Å; I137-Y344 HydrophobicContact CG2-CD1 4.24Å; I137-Y344 WeakPolarHBondContact O-CA 3.46Å; I145-Y344 HydrophobicContact CB-CD1 4.32Å; I145-Y344 HydrophobicContact CB-CE1 4.39Å; I145-Y344 HydrophobicContact CD1-CD1 3.9Å; I145-Y344 HydrophobicContact CD1-CE1 3.36Å; I145-Y344 HydrophobicContact CG1-CE1 4.45Å; I145-Y344 HydrophobicContact CG2-CD1 4.12Å; I145-Y344 HydrophobicContact CG2-CD2 4.28Å; I145-Y344 HydrophobicContact CG2-CE1 3.98Å; I145-Y344 HydrophobicContact CG2-CE2 4.12Å; I145-Y344 HydrophobicContact CG2-CG 4.28Å; F339-Y344 HydrophobicContact CD2-CE2 4.39Å; F339-Y344 AromaticContact CE2-CD2 3.82Å; F339-Y344 HydrophobicContact CE2-CD2 3.82Å; F339-Y344 AromaticContact CE2-CE2 3.35Å; F339-Y344 HydrophobicContact CE2-CE2 3.35Å; F339-Y344 AromaticContact CZ-CD2 3.52Å; F339-Y344 HydrophobicContact CZ-CD2 3.52Å; F339-Y344 AromaticContact CZ-CE2 3.6Å; F339-Y344 HydrophobicContact CZ-CE2 3.6Å; F339-Y344 HydrophobicContact CZ-CG 4.46Å; P341-Y344 PolarHBondContact O-N 3.47Å; P341-Y344 VanDerWaalsContact O-N 3.1Å; P341-Y344 VanDerWaalsContact O-O 3.04Å; S342-Y344 VanDerWaalsContact C-N 3.26Å
345K98.1Very high97.4Very high145 Ų14566.5 Ų66.563%0.6335%0.35SS*.EExtended strand (participates in β ladder)trans-121.4109.6178.5-179.2-176.3179.1-173.10110.1I137 T138 A142I137-K345 PolarHBondContact O-N 3Å; T138-K345 WeakPolarHBondContact CA-O 3.36Å; T138-K345 HydrophobicContact CG2-CB 4.15Å; A142-K345 WeakPolarHBondContact CB-O 3.45Å
346S98Very high97.4Very high26 Ų2671.4 Ų71.418%0.18237%0.371CS..  trans-110.1151.4173.5177.60000110.6D143 H348D143-S346 WeakPolarHBondContact OD1-CB 3.24Å; D143-S346 PolarHBondContact OD1-OG 3.25Å; S346-H348 WeakPolarHBondContact OG-CB 3.27Å; S346-H348 PolarHBondContact OG-N 3.17Å
347E97.4Very high97.4Very high195 Ų19575.8 Ų75.891%0.91139%0.385SS*.SBendtrans-78.3-13.2167.5-59.7-173.3167.800111.9
348H98.2Very high97.5Very high58 Ų5874.3 Ų74.327%0.26938%0.377SS..  trans-95.1156.6179.1-58.7-88.3000112D143 D178 F179 S346D143-H348 IonicContact OD1-CD2 3.79Å; D143-H348 IonicContact OD2-CD2 2.6Å; D178-H348 WeakPolarHBondContact O-CB 3.27Å; D178-H348 PolarHBondContact O-ND1 2.96Å; F179-H348 HydrophobicContact CB-CB 4.17Å; F179-H348 HydrophobicContact CD1-CB 3.63Å; F179-H348 HydrophobicContact CE1-CB 4.3Å; F179-H348 HydrophobicContact CG-CB 4.05Å; S346-H348 WeakPolarHBondContact OG-CB 3.27Å; S346-H348 PolarHBondContact OG-N 3.17Å
349K97.1Very high97.6Very high144 Ų14469.6 Ų69.663%0.62635%0.347SS*.  trans-158.4159.9175.761.4-175.4177.7-174.40108.3K351K349-K351 WeakPolarHBondContact O-CG 3.31Å; K349-K351 PolarHBondContact O-N 3.4Å
350V97.9Very high97.5Very high19 Ų1972.5 Ų72.512%0.11537%0.37CS..  trans-55.8124170.1-177.70000109.6A150 T175 F179 I355 K356 L359A150-V350 HydrophobicContact CB-CG2 4.09Å; T175-V350 HydrophobicContact CG2-CG2 4.44Å; F179-V350 HydrophobicContact CE2-CG2 3.92Å; F179-V350 HydrophobicContact CZ-CG2 4.22Å; V350-I355 HydrophobicContact CG1-CB 3.76Å; V350-I355 HydrophobicContact CG1-CG2 3.53Å; V350-I355 HydrophobicContact CG2-CG2 4.46Å; V350-K356 HydrophobicContact CG1-CG 3.98Å; V350-K356 WeakPolarHBondContact O-CE 3.45Å; V350-L359 HydrophobicContact CG1-CD1 4.45Å; V350-L359 HydrophobicContact CG2-CD1 3.96Å
351K97.5Very high97.4Very high118 Ų11871.9 Ų71.951%0.51337%0.365SS..  trans-111.2-36.4178.3-65.7168.5-170.1170.20110.9D178 K349 K356D178-K351 PolarHBondContact OD2-N 3.47Å; K349-K351 WeakPolarHBondContact O-CG 3.31Å; K349-K351 PolarHBondContact O-N 3.4Å; K351-K356 WeakPolarHBondContact O-CE 3.34Å; K351-K356 PolarHBondContact O-NZ 3.48Å
352D97.3Very high97.3Very high38 Ų3871.5 Ų71.520%0.20336%0.362CS..  trans-54124.4-178.1-174.8-74000111.8D178 E354 I355 K356D178-D352 PolarHBondContact OD2-N 3.1Å; D178-D352 VanDerWaalsContact OD2-N 3.09Å; D352-E354 PolarHBondContact O-N 3.08Å; D352-E354 WeakPolarHBondContact OD1-CA 3.03Å; D352-E354 VanDerWaalsContact OD1-CB 3.24Å; D352-E354 WeakPolarHBondContact OD1-CB 3.41Å; D352-E354 PolarHBondContact OD1-N 3.32Å; D352-I355 HydrophobicContact CB-CB 4.2Å; D352-I355 HydrophobicContact CB-CD1 3.65Å; D352-I355 HydrophobicContact CB-CG1 4.04Å; D352-I355 PolarHBondContact O-N 3.4Å; D352-I355 PolarHBondContact OD1-N 3.19Å; D352-K356 WeakPolarHBondContact O-CG 3.37Å; D352-K356 PolarHBondContact O-N 3.4Å
353P97.5Very high96.9Very high99 Ų9970.7 Ų70.764%0.64336%0.355SS*.Hα-helixtrans-63.5-36.2-177.6-23.834.2000114.3K356 E357P353-K356 PolarHBondContact O-N 3.49Å; P353-E357 WeakPolarHBondContact O-CB 3.19Å; P353-E357 PolarHBondContact O-N 3.34Å
354E97.7Very high96.3Very high76 Ų7673.8 Ų73.836%0.35537%0.367SS..Hα-helixtrans-65.3-43.2179.1177.3179.8-153.700109.9K167 I171 K174 D352 E357 L358K167-E354 WeakPolarHBondContact CE-OE1 3.04Å; K167-E354 VanDerWaalsContact NZ-CD 3.35Å; K167-E354 IonicContact NZ-OE1 2.68Å; K167-E354 PolarHBondContact NZ-OE1 3.16Å; K167-E354 IonicContact NZ-OE2 3.62Å; K167-E354 PolarHBondContact NZ-OE2 2.91Å; I171-E354 HydrophobicContact CD1-CG 3.98Å; K174-E354 IonicContact NZ-OE2 3.64Å; K174-E354 PolarHBondContact NZ-OE2 3.42Å; D352-E354 PolarHBondContact O-N 3.08Å; D352-E354 WeakPolarHBondContact OD1-CA 3.03Å; D352-E354 VanDerWaalsContact OD1-CB 3.24Å; D352-E354 WeakPolarHBondContact OD1-CB 3.41Å; D352-E354 PolarHBondContact OD1-N 3.32Å; E354-E357 PolarHBondContact O-N 3.29Å; E354-L358 WeakPolarHBondContact O-CB 3.32Å; E354-L358 PolarHBondContact O-N 3.15Å
355I97.9Very high95.2Very high0 Ų077.7 Ų77.70%039%0.388CS..Hα-helixtrans-70.2-39.5179.2-58.9165.8000111.1I171 K174 T175 V350 D352 L358 L359I171-I355 HydrophobicContact CD1-CG1 4.27Å; I171-I355 HydrophobicContact CG2-CG1 4.4Å; K174-I355 HydrophobicContact CB-CD1 3.49Å; K174-I355 VanDerWaalsContact CB-CD1 3.49Å; T175-I355 HydrophobicContact CG2-CG2 4.21Å; T175-I355 VanDerWaalsContact N-CD1 3.33Å; T175-I355 WeakPolarHBondContact OG1-CD1 3.38Å; T175-I355 WeakPolarHBondContact OG1-CG2 3.49Å; V350-I355 HydrophobicContact CG1-CB 3.76Å; V350-I355 HydrophobicContact CG1-CG2 3.53Å; V350-I355 HydrophobicContact CG2-CG2 4.46Å; D352-I355 HydrophobicContact CB-CB 4.2Å; D352-I355 HydrophobicContact CB-CD1 3.65Å; D352-I355 HydrophobicContact CB-CG1 4.04Å; D352-I355 PolarHBondContact O-N 3.4Å; D352-I355 PolarHBondContact OD1-N 3.19Å; I355-L358 PolarHBondContact O-N 3.15Å; I355-L359 HydrophobicContact CG2-CD1 3.93Å; I355-L359 HydrophobicContact CG2-CG 4.2Å; I355-L359 WeakPolarHBondContact O-CB 3.47Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.26Å; I355-L359 PolarHBondContact O-N 2.99Å
356K98.1Very high93.5Very high106 Ų10678.2 Ų78.246%0.46139%0.393SS..Hα-helixtrans-59.8-47.8174.2-78.1174.81791590112.2V350 K351 D352 P353 L358 L359 S360V350-K356 HydrophobicContact CG1-CG 3.98Å; V350-K356 WeakPolarHBondContact O-CE 3.45Å; K351-K356 WeakPolarHBondContact O-CE 3.34Å; K351-K356 PolarHBondContact O-NZ 3.48Å; D352-K356 WeakPolarHBondContact O-CG 3.37Å; D352-K356 PolarHBondContact O-N 3.4Å; P353-K356 PolarHBondContact O-N 3.49Å; K356-L358 VanDerWaalsContact C-N 3.33Å; K356-L359 PolarHBondContact O-N 3.36Å; K356-S360 PolarHBondContact O-N 2.85Å; K356-S360 VanDerWaalsContact O-N 3.09Å
357E97.8Very high91.2Very high115 Ų11583.5 Ų83.554%0.53742%0.419SS..Hα-helixtrans-59.3-48.1176.7176.755.3-149.700110P353 E354 L359 S360 Q361P353-E357 WeakPolarHBondContact O-CB 3.19Å; P353-E357 PolarHBondContact O-N 3.34Å; E354-E357 PolarHBondContact O-N 3.29Å; E357-L359 PolarHBondContact O-N 3.36Å; E357-S360 WeakPolarHBondContact O-CB 3.48Å; E357-S360 PolarHBondContact O-N 2.92Å; E357-S360 PolarHBondContact O-OG 3.43Å; E357-Q361 PolarHBondContact O-N 3.4Å
358L96.9Very high88.4Confident14 Ų1483.6 Ų83.67%0.07342%0.417CS..Hα-helixtrans-56.4-52177-177.463.7000111.6A154 R157 L158 I171 E354 I355 K356 S360 Q361A154-L358 HydrophobicContact CB-CD2 3.86Å; R157-L358 HydrophobicContact CB-CD1 3.65Å; R157-L358 HydrophobicContact CB-CG 4.11Å; R157-L358 WeakPolarHBondContact CD-O 3.45Å; R157-L358 PolarHBondContact NE-O 3.12Å; L158-L358 HydrophobicContact CD1-CD2 4.2Å; L158-L358 HydrophobicContact CD2-CD1 3.95Å; L158-L358 HydrophobicContact CD2-CD2 3.87Å; L158-L358 HydrophobicContact CG-CD1 4.38Å; L158-L358 HydrophobicContact CG-CD2 3.84Å; I171-L358 HydrophobicContact CG2-CD2 3.99Å; E354-L358 WeakPolarHBondContact O-CB 3.32Å; E354-L358 PolarHBondContact O-N 3.15Å; I355-L358 PolarHBondContact O-N 3.15Å; K356-L358 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 2.81Å; L358-Q361 WeakPolarHBondContact O-CB 3.38Å; L358-Q361 PolarHBondContact O-N 3.08Å
359L97.3Very high85.6Confident45 Ų4590.1 Ų90.124%0.23644%0.444CS..Hα-helixtrans-62.6-25.7-178.8-70.3175.3000113.5E153 A154 R157 V350 I355 K356 E357 Q361E153-L359 HydrophobicContact CB-CD2 3.69Å; A154-L359 HydrophobicContact CB-CD2 4.24Å; R157-L359 PolarHBondContact NE-O 3.07Å; R157-L359 PolarHBondContact NH2-O 3.45Å; V350-L359 HydrophobicContact CG1-CD1 4.45Å; V350-L359 HydrophobicContact CG2-CD1 3.96Å; I355-L359 HydrophobicContact CG2-CD1 3.93Å; I355-L359 HydrophobicContact CG2-CG 4.2Å; I355-L359 WeakPolarHBondContact O-CB 3.47Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.26Å; I355-L359 PolarHBondContact O-N 2.99Å; K356-L359 PolarHBondContact O-N 3.36Å; E357-L359 PolarHBondContact O-N 3.36Å; L359-Q361 VanDerWaalsContact C-N 3.29Å; L359-Q361 PolarHBondContact O-N 2.78Å
360S96.5Very high82.7Confident84 Ų8492.7 Ų92.759%0.58746%0.455SS*.Hα-helixtrans-71.8-21.617583.40000113.6K356 E357 L358K356-S360 PolarHBondContact O-N 2.85Å; K356-S360 VanDerWaalsContact O-N 3.09Å; E357-S360 WeakPolarHBondContact O-CB 3.48Å; E357-S360 PolarHBondContact O-N 2.92Å; E357-S360 PolarHBondContact O-OG 3.43Å; L358-S360 PolarHBondContact O-N 2.81Å
361Q94.7Very high79.7Confident56 Ų56101.2 Ų101.226%0.26249%0.491SS..SBendtrans-73.2148.4-179.1-63.1176.616.100111.3R157 E357 L358 L359R157-Q361 PolarHBondContact NE-O 2.81Å; E357-Q361 PolarHBondContact O-N 3.4Å; L358-Q361 WeakPolarHBondContact O-CB 3.38Å; L358-Q361 PolarHBondContact O-N 3.08Å; L359-Q361 VanDerWaalsContact C-N 3.29Å; L359-Q361 PolarHBondContact O-N 2.78Å
362P92.6Very high76.9Confident62 Ų62103.5 Ų103.540%0.40351%0.508SS..  trans-69.2147.4169.731.2-35.2000110.5R160 K364R160-P362 PolarHBondContact NH2-O 3.37Å; R160-P362 VanDerWaalsContact NH2-O 3.13Å; P362-K364 WeakPolarHBondContact CB-O 3.37Å
363V90.2Very high74.1Confident35 Ų35109.8 Ų109.821%0.21254%0.54CS..SBendtrans-65.6-47173.8176.30000110.7I156 R157 P331I156-V363 HydrophobicContact CD1-CG1 3.84Å; I156-V363 HydrophobicContact CG1-CG1 3.89Å; I156-V363 HydrophobicContact CG2-CG2 4.16Å; R157-V363 HydrophobicContact CG-CG2 4.1Å; P331-V363 HydrophobicContact CB-CG1 4.04Å; P331-V363 WeakPolarHBondContact CD-O 3.37Å
364K85.6Confident71.3Confident97 Ų97114.2 Ų114.242%0.42255%0.55SS..SBendtrans-92.5146.7177.1-68.5-173.4177.5-179.90112.1P362 Q366P362-K364 WeakPolarHBondContact CB-O 3.37Å; K364-Q366 PolarHBondContact O-N 3.35Å
365I74.5Confident68.6Low99 Ų99116.6 Ų116.651%0.50857%0.572SS.*  trans-67.7114.9172-57172.9000107.6N329 N367N329-I365 PolarHBondContact O-N 2.82Å; I365-N367 PolarHBondContact O-N 3.48Å; I365-N367 VanDerWaalsContact O-N 3.17Å
366Q62.4Low65.9Low157 Ų157125.6 Ų125.673%0.73461%0.613SS**  trans-69.8112.4170.6-66.1-175.85.500108K364 K368K364-Q366 PolarHBondContact O-N 3.35Å; Q366-K368 VanDerWaalsContact C-N 3.32Å; Q366-K368 PolarHBondContact O-N 2.71Å
367N49.5Very low63.1Low137 Ų137125.9 Ų125.973%0.73363%0.629SS**  trans-60.396.9168.2-77.5-15000108.1I365 K369I365-N367 PolarHBondContact O-N 3.48Å; I365-N367 VanDerWaalsContact O-N 3.17Å; N367-K369 VanDerWaalsContact C-N 3.3Å; N367-K369 PolarHBondContact O-N 3.46Å
368K39.8Very low60.3Low197 Ų197127.5 Ų127.586%0.85765%0.647SS**  trans-58.3102.8161.2-79.9-175.9178.41760105.2Q366 K370Q366-K368 VanDerWaalsContact C-N 3.32Å; Q366-K368 PolarHBondContact O-N 2.71Å; K368-K370 PolarHBondContact O-N 3.38Å
369K37.8Very low57.7Low194 Ų194130.2 Ų130.284%0.84368%0.678SS**  trans-45110.7171.2-75.5-179.2176.3178.30106.3N367 K371N367-K369 VanDerWaalsContact C-N 3.3Å; N367-K369 PolarHBondContact O-N 3.46Å; K369-K371 PolarHBondContact O-N 2.99Å
370K36.6Very low55Low199 Ų199137.5 Ų137.587%0.86571%0.707SS**  trans-53.3108.1168-80.2-177.8176.3176.60104.7K368 L372K368-K370 PolarHBondContact O-N 3.38Å; K370-L372 PolarHBondContact O-N 3.47Å
371K34.5Very low52.3Low198 Ų198140.6 Ų140.686%0.86172%0.723SS**  trans-55.8110169.7-89.8-179.3173.6178.20104.6K369 L373K369-K371 PolarHBondContact O-N 2.99Å; K371-L373 PolarHBondContact O-N 3.06Å
372L39.1Very low49.6Very low165 Ų165143.3 Ų143.386%0.86475%0.748SS**  trans-53.4112.1165.2-83.5116.1000105.9K370 K374K370-L372 PolarHBondContact O-N 3.47Å; L372-K374 PolarHBondContact O-N 3.08Å
373L39.7Very low47.4Very low171 Ų171148.7 Ų148.790%0.89580%0.798SS**  trans-57.6107.5169.4-72.3160.8000105.8K371K371-L373 PolarHBondContact O-N 3.06Å
374K37.3Very low45.3Very low192 Ų192154.4 Ų154.484%0.83583%0.827SS**  trans-64.6134.8170.1-82.7-174.5174.4-177.20107.2L372 E376L372-K374 PolarHBondContact O-N 3.08Å; K374-E376 PolarHBondContact O-N 3.42Å
375P40.9Very low43.2Very low126 Ų126157.4 Ų157.482%0.81885%0.848SS**  trans-59.5132.7178.8-17.529.1000110S377P375-S377 PolarHBondContact O-N 2.77Å; P375-S377 VanDerWaalsContact O-N 3.12Å
376E41.3Very low41.4Very low188 Ų188160.7 Ų160.788%0.87987%0.867SS**  trans-58113.7174.8-71.5179.7152.300109.5K374 V378K374-E376 PolarHBondContact O-N 3.42Å; E376-V378 PolarHBondContact O-N 2.73Å
377S39.8Very low40.2Very low112 Ų112160.9 Ų160.978%0.78388%0.875SS**  trans-67113.1167.552.90000108.3P375 G379P375-S377 PolarHBondContact O-N 2.77Å; P375-S377 VanDerWaalsContact O-N 3.12Å; S377-G379 PolarHBondContact O-N 2.84Å
378V39.3Very low39.6Very low150 Ų150162.4 Ų162.491%0.90988%0.884SS**  trans-55.5100.2175.5-177.50000109.5E376E376-V378 PolarHBondContact O-N 2.73Å
379G43.3Very low39.6Very low71 Ų71160.1 Ų160.173%0.73289%0.886SS**  trans-96.8100.1177.500000111.2S377S377-G379 PolarHBondContact O-N 2.84Å
380K39.8Very low39.8Very low197 Ų197157.6 Ų157.686%0.85789%0.889SS**  trans28.1114.7150.5-66.9-177.7175.7-178.80118.9S382K380-S382 PolarHBondContact O-N 3.4Å
381V38.9Very low40Very low149 Ų149154.5 Ų154.590%0.90389%0.891SS**  trans-61.5124.5158.5-179.60000109.6
382S38Very low40.5Very low113 Ų113150.8 Ų150.879%0.7989%0.893SS**  trans-98.5125.2167.554.70000110K380K380-S382 PolarHBondContact O-N 3.4Å
383A48.2Very low40.6Very low176 Ų176149.5 Ų149.5100%1.45590%0.896SS**  trans-151.90146.500000107.7

Retrieved 383 of 383 residues in 138.3 ms (Link to these results)

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