A0A087XVE9_POEFO Loading...

Diamine acetyltransferase 1

AlphaFold DB (A0A3B3VE24), UniProt , Accession A0A087XVE9, Species POEFO (Poecilia formosa, Amazon molly), Gene SAT1, Length 171 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
1M68.4Low93.9Very high138 Ų13890.3 Ų90.368%0.6842%0.423SS*.  0128.20-167.5171.8-167.900107.1T58 L101M1-T58 HydrophobicContact CE-CG2 3.64Å; M1-T58 HydrophobicContact CG-CG2 4.35Å; M1-T58 HydrophobicContact SD-CG2 4.02Å; M1-L101 HydrophobicContact CB-CD1 3.93Å; M1-L101 HydrophobicContact CG-CD1 4.37Å; M1-L101 HydrophobicContact SD-CD1 3.49Å; M1-L101 WeakPolarHBondContact SD-CD1 3.23Å
2E88.5Confident94.3Very high157 Ų15783.2 Ų83.273%0.73439%0.39SS*.  trans-73.8133.9173.8-169.6171.9-173.900108.7P59E2-P59 HydrophobicContact CB-CG 4.49Å; E2-P59 VanDerWaalsContact O-CD 3.23Å; E2-P59 WeakPolarHBondContact O-CD 3.48Å
3Y94.9Very high94.6Very high63 Ų6377.4 Ų77.425%0.24736%0.363CS..  trans-140.4153.6174.370.3-91.9000109.1L5 E57 G102 I103Y3-L5 HydrophobicContact CD2-CD2 3.96Å; Y3-L5 HydrophobicContact CD2-CG 4.11Å; Y3-L5 HydrophobicContact CE2-CD1 4.15Å; Y3-L5 HydrophobicContact CE2-CD2 3.96Å; Y3-L5 HydrophobicContact CE2-CG 3.86Å; Y3-E57 CarbonylContact C-O 3.58Å; Y3-E57 VanDerWaalsContact CA-O 3.31Å; Y3-E57 WeakPolarHBondContact CA-O 3.34Å; Y3-G102 PolarHBondContact OH-O 2.87Å; Y3-I103 HydrophobicContact CD1-CG1 3.71Å; Y3-I103 HydrophobicContact CD2-CG1 4.17Å; Y3-I103 HydrophobicContact CE1-CG1 4.07Å; Y3-I103 HydrophobicContact CG-CG1 3.78Å
4K96.5Very high94.8Very high119 Ų11975.8 Ų75.852%0.51737%0.365SS..EExtended strand (participates in β ladder)trans-122.6140.5176.2177.2173.8158.4-136.90109.8A56 E57K4-A56 WeakPolarHBondContact O-CA 3.34Å; K4-E57 HydrophobicContact CB-CG 3.86Å; K4-E57 VanDerWaalsContact CD-OE1 3.26Å; K4-E57 WeakPolarHBondContact CD-OE1 3.48Å; K4-E57 WeakPolarHBondContact CE-OE1 3.23Å; K4-E57 HydrophobicContact CG-CG 4.43Å; K4-E57 PolarHBondContact N-O 2.91Å; K4-E57 IonicContact NZ-OE1 2.91Å; K4-E57 PolarHBondContact NZ-OE1 3.07Å; K4-E57 PolarHBondContact O-N 3.4Å
5L97.9Very high95Very high38 Ų3873.7 Ų73.720%0.19936%0.356CS..EExtended strand (participates in β ladder)trans-105.4133.9172.9-57.7179.2000108.9Y3 I54 I55 A56 G106 I107 H110Y3-L5 HydrophobicContact CD2-CD2 3.96Å; Y3-L5 HydrophobicContact CD2-CG 4.11Å; Y3-L5 HydrophobicContact CE2-CD1 4.15Å; Y3-L5 HydrophobicContact CE2-CD2 3.96Å; Y3-L5 HydrophobicContact CE2-CG 3.86Å; L5-I54 HydrophobicContact CB-CG2 4.38Å; L5-I55 WeakPolarHBondContact CA-O 3.32Å; L5-A56 HydrophobicContact CD2-CB 3.61Å; L5-G106 VanDerWaalsContact CD1-O 3.26Å; L5-G106 WeakPolarHBondContact CD1-O 3.4Å; L5-I107 HydrophobicContact CD1-CG1 4.36Å; L5-I107 HydrophobicContact CD2-CG1 3.72Å; L5-H110 HydrophobicContact CD1-CB 4.24Å
6R97.7Very high95.2Very high39 Ų3969.1 Ų69.115%0.14733%0.334CS..EExtended strand (participates in β ladder)trans-147.4161174.961.7174.1179.182.3-2.3111.2D12 I54 I55 E57R6-D12 IonicContact CZ-OD1 2.74Å; R6-D12 IonicContact CZ-OD2 3.74Å; R6-D12 IonicContact NH1-OD1 3.57Å; R6-D12 PolarHBondContact NH1-OD1 3.47Å; R6-D12 IonicContact NH1-OD2 3.45Å; R6-D12 PolarHBondContact NH1-OD2 3.37Å; R6-D12 IonicContact NH2-OD1 3.26Å; R6-D12 PolarHBondContact NH2-OD1 3.04Å; R6-D12 IonicContact NH2-OD2 3.88Å; R6-I54 WeakPolarHBondContact O-CA 3.48Å; R6-I55 HydrophobicContact CG-CD1 4.12Å; R6-I55 HydrophobicContact CG-CG1 3.69Å; R6-I55 PolarHBondContact N-O 2.64Å; R6-I55 VanDerWaalsContact N-O 3.09Å; R6-I55 VanDerWaalsContact NH1-CD1 3.32Å; R6-I55 PolarHBondContact O-N 3.32Å; R6-E57 IonicContact CZ-OE2 3.43Å; R6-E57 IonicContact NE-OE1 3.54Å; R6-E57 IonicContact NE-OE2 2.77Å; R6-E57 PolarHBondContact NE-OE2 2.91Å; R6-E57 IonicContact NH2-OE2 2.7Å; R6-E57 PolarHBondContact NH2-OE2 2.9Å
7K98Very high95.4Very high132 Ų13265.6 Ų65.657%0.57432%0.317SS*.EExtended strand (participates in β ladder)trans-61.6142.2166.6-168-178.8174.6-179.20108.9
8A98.2Very high95.5Very high7 Ų766.1 Ų66.16%0.05832%0.315CS..  trans-64.4150.9170.200000111.3D12 I16 F45 C53 I55A8-D12 WeakPolarHBondContact CA-OD2 3.39Å; A8-I16 HydrophobicContact CB-CD1 3.91Å; A8-F45 HydrophobicContact CB-CE1 4.3Å; A8-F45 HydrophobicContact CB-CZ 4.03Å; A8-C53 HydrophobicContact CB-CB 3.57Å; A8-C53 PolarHBondContact N-O 3.18Å; A8-I55 HydrophobicContact CB-CG2 4.12Å
9E97.9Very high95.6Very high88 Ų8862.6 Ų62.641%0.41130%0.299SS..  trans-121.2162.3172.9-67.6176.9-179.800108.9K11 D12 F45E9-K11 HydrophobicContact CB-CG 4.19Å; E9-K11 PolarHBondContact O-N 3.4Å; E9-K11 WeakPolarHBondContact OE2-CE 3.37Å; E9-K11 IonicContact OE2-NZ 3.51Å; E9-K11 PolarHBondContact OE2-NZ 3.45Å; E9-D12 PolarHBondContact N-OD2 2.81Å; E9-D12 WeakPolarHBondContact O-CB 3.49Å; E9-D12 PolarHBondContact O-N 2.82Å; E9-F45 WeakPolarHBondContact O-CZ 3.16Å
10P98.2Very high95.6Very high74 Ų7460.2 Ų60.248%0.48129%0.288SS..G310 helixtrans-51.5-30.6178.8-32.338.1000114.9D12 V13 L41 F45P10-D12 PolarHBondContact O-N 3.35Å; P10-V13 WeakPolarHBondContact O-CB 3.26Å; P10-V13 VanDerWaalsContact O-CG2 3.26Å; P10-V13 WeakPolarHBondContact O-CG2 3.45Å; P10-V13 PolarHBondContact O-N 3.04Å; P10-L41 HydrophobicContact CB-CD1 3.73Å; P10-L41 HydrophobicContact CG-CD1 4.47Å; P10-F45 HydrophobicContact CG-CB 4.11Å; P10-F45 HydrophobicContact CG-CD1 3.85Å; P10-F45 HydrophobicContact CG-CE1 4.48Å; P10-F45 HydrophobicContact CG-CG 3.98Å
11K97.1Very high95.6Very high138 Ų13861.6 Ų61.660%0.629%0.293SS*.G310 helixtrans-66.9-19.6177.574.1-171-172.2-152.20113.9E9 V13E9-K11 HydrophobicContact CB-CG 4.19Å; E9-K11 PolarHBondContact O-N 3.4Å; E9-K11 WeakPolarHBondContact OE2-CE 3.37Å; E9-K11 IonicContact OE2-NZ 3.51Å; E9-K11 PolarHBondContact OE2-NZ 3.45Å; K11-V13 VanDerWaalsContact C-N 3.33Å
12D97.9Very high96.9Very high5 Ų557.4 Ų57.43%0.02727%0.272CS..G310 helixtrans-87.8-1.6-177.3-52.9-53.5000112.4R6 A8 E9 P10 S14 D15 I16 I55R6-D12 IonicContact CZ-OD1 2.74Å; R6-D12 IonicContact CZ-OD2 3.74Å; R6-D12 IonicContact NH1-OD1 3.57Å; R6-D12 PolarHBondContact NH1-OD1 3.47Å; R6-D12 IonicContact NH1-OD2 3.45Å; R6-D12 PolarHBondContact NH1-OD2 3.37Å; R6-D12 IonicContact NH2-OD1 3.26Å; R6-D12 PolarHBondContact NH2-OD1 3.04Å; R6-D12 IonicContact NH2-OD2 3.88Å; A8-D12 WeakPolarHBondContact CA-OD2 3.39Å; E9-D12 PolarHBondContact N-OD2 2.81Å; E9-D12 WeakPolarHBondContact O-CB 3.49Å; E9-D12 PolarHBondContact O-N 2.82Å; P10-D12 PolarHBondContact O-N 3.35Å; D12-S14 VanDerWaalsContact C-N 3.3Å; D12-S14 PolarHBondContact O-N 3.36Å; D12-D15 PolarHBondContact O-N 2.98Å; D12-D15 VanDerWaalsContact O-N 3.13Å; D12-I16 HydrophobicContact CB-CD1 4.33Å; D12-I16 WeakPolarHBondContact O-CG1 3.26Å; D12-I16 PolarHBondContact O-N 3.25Å; D12-I55 HydrophobicContact CB-CD1 4.44Å
13V98Very high97.1Very high8 Ų850.5 Ų50.55%0.04824%0.24CC..Hα-helixtrans-56.7-41.4-175.6162.60000112.5P10 K11 I16 L17 E37 L40 L41 F45P10-V13 WeakPolarHBondContact O-CB 3.26Å; P10-V13 VanDerWaalsContact O-CG2 3.26Å; P10-V13 WeakPolarHBondContact O-CG2 3.45Å; P10-V13 PolarHBondContact O-N 3.04Å; K11-V13 VanDerWaalsContact C-N 3.33Å; V13-I16 PolarHBondContact O-N 3.45Å; V13-L17 PolarHBondContact O-N 2.84Å; V13-E37 HydrophobicContact CG1-CB 3.64Å; V13-E37 HydrophobicContact CG1-CG 4.05Å; V13-E37 VanDerWaalsContact CG1-O 3.23Å; V13-E37 WeakPolarHBondContact CG1-O 3.38Å; V13-L40 HydrophobicContact CG1-CB 3.94Å; V13-L40 HydrophobicContact CG1-CD1 4.43Å; V13-L41 HydrophobicContact CG2-CB 4.27Å; V13-L41 HydrophobicContact CG2-CD1 4.2Å; V13-F45 HydrophobicContact CG2-CD2 4.12Å; V13-F45 HydrophobicContact CG2-CE2 3.57Å; V13-F45 HydrophobicContact CG2-CZ 4.39Å
14S97.8Very high96.9Very high55 Ų5548 Ų4839%0.38523%0.232SC..Hα-helixtrans-65.2-41178.256.20000111.8D12 L17 R18D12-S14 VanDerWaalsContact C-N 3.3Å; D12-S14 PolarHBondContact O-N 3.36Å; S14-L17 PolarHBondContact O-N 3.36Å; S14-R18 WeakPolarHBondContact O-CB 3.48Å; S14-R18 PolarHBondContact O-N 3.37Å
15D98Very high96.6Very high44 Ų4449.1 Ų49.124%0.23524%0.237CC..Hα-helixtrans-67.7-39.1175-81-57.5000112.5D12 R18 L19 V69D12-D15 PolarHBondContact O-N 2.98Å; D12-D15 VanDerWaalsContact O-N 3.13Å; D15-R18 PolarHBondContact O-N 2.93Å; D15-R18 IonicContact OD1-CZ 3.59Å; D15-R18 IonicContact OD1-NE 2.89Å; D15-R18 PolarHBondContact OD1-NE 3.27Å; D15-R18 IonicContact OD1-NH2 2.71Å; D15-R18 PolarHBondContact OD1-NH2 3.34Å; D15-L19 WeakPolarHBondContact O-CB 3.31Å; D15-L19 VanDerWaalsContact O-CG 3.32Å; D15-L19 WeakPolarHBondContact O-CG 3.48Å; D15-L19 PolarHBondContact O-N 3.36Å; D15-V69 HydrophobicContact CB-CB 3.95Å; D15-V69 HydrophobicContact CB-CG1 4.14Å; D15-V69 HydrophobicContact CB-CG2 4.18Å
16I98.1Very high96.1Very high1 Ų152.5 Ų52.51%0.00525%0.248CC..Hα-helixtrans-60.5-51.3174.5-68.4164.4000109.6A8 D12 V13 R18 L19 V20 L40 C53 F72 M74A8-I16 HydrophobicContact CB-CD1 3.91Å; D12-I16 HydrophobicContact CB-CD1 4.33Å; D12-I16 WeakPolarHBondContact O-CG1 3.26Å; D12-I16 PolarHBondContact O-N 3.25Å; V13-I16 PolarHBondContact O-N 3.45Å; I16-R18 VanDerWaalsContact C-N 3.3Å; I16-R18 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.44Å; I16-V20 HydrophobicContact CG2-CG2 4.39Å; I16-V20 WeakPolarHBondContact O-CG2 3.31Å; I16-V20 PolarHBondContact O-N 2.83Å; I16-L40 HydrophobicContact CG2-CD1 4.17Å; I16-L40 HydrophobicContact CG2-CD2 4.18Å; I16-C53 HydrophobicContact CD1-CB 4.02Å; I16-F72 HydrophobicContact CG2-CD2 4.44Å; I16-F72 HydrophobicContact CG2-CE2 4.45Å; I16-M74 HydrophobicContact CG2-CE 4.31Å
17L97.9Very high95.5Very high9 Ų954.1 Ų54.15%0.04726%0.257CS..Hα-helixtrans-62-39.2179.6-173.562.2000112V13 S14 V20 K21 V33 L35 E37 L40V13-L17 PolarHBondContact O-N 2.84Å; S14-L17 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 3.38Å; L17-K21 HydrophobicContact CG-CD 4.46Å; L17-K21 WeakPolarHBondContact O-CG 3.36Å; L17-K21 PolarHBondContact O-N 2.88Å; L17-V33 HydrophobicContact CD1-CG1 4.46Å; L17-L35 WeakPolarHBondContact CD1-O 3.37Å; L17-E37 HydrophobicContact CB-CG 4.34Å; L17-E37 HydrophobicContact CD2-CG 3.56Å; L17-L40 HydrophobicContact CB-CD1 3.7Å; L17-L40 HydrophobicContact CD1-CD1 3.99Å; L17-L40 HydrophobicContact CG-CD1 4.36Å
18R97.4Very high95Very high75 Ų7556.7 Ų56.728%0.28327%0.271SS..Hα-helixtrans-58.4-49.3174.3177.9-178.458.976.5-2.2111.1S14 D15 I16 K21 E22 V69S14-R18 WeakPolarHBondContact O-CB 3.48Å; S14-R18 PolarHBondContact O-N 3.37Å; D15-R18 PolarHBondContact O-N 2.93Å; D15-R18 IonicContact OD1-CZ 3.59Å; D15-R18 IonicContact OD1-NE 2.89Å; D15-R18 PolarHBondContact OD1-NE 3.27Å; D15-R18 IonicContact OD1-NH2 2.71Å; D15-R18 PolarHBondContact OD1-NH2 3.34Å; I16-R18 VanDerWaalsContact C-N 3.3Å; I16-R18 PolarHBondContact O-N 3.49Å; R18-K21 PolarHBondContact O-N 3.06Å; R18-E22 IonicContact CZ-OE1 3.58Å; R18-E22 IonicContact NH1-OE1 2.76Å; R18-E22 PolarHBondContact NH1-OE1 3.48Å; R18-E22 WeakPolarHBondContact O-CG 3.48Å; R18-E22 PolarHBondContact O-N 2.97Å; R18-V69 PolarHBondContact NH2-O 3.4Å
19L97.4Very high94.5Very high0 Ų060 Ų600%029%0.286CS..Hα-helixtrans-68.4-34.4-179.3-68.8175.9000112.7D15 I16 K21 E22 L23 V69 F72 Y93 M95D15-L19 WeakPolarHBondContact O-CB 3.31Å; D15-L19 VanDerWaalsContact O-CG 3.32Å; D15-L19 WeakPolarHBondContact O-CG 3.48Å; D15-L19 PolarHBondContact O-N 3.36Å; I16-L19 PolarHBondContact O-N 3.44Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-E22 PolarHBondContact O-N 2.99Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 PolarHBondContact O-N 3.21Å; L19-V69 HydrophobicContact CD1-CG1 3.9Å; L19-F72 HydrophobicContact CB-CD1 3.51Å; L19-F72 HydrophobicContact CB-CE1 3.59Å; L19-F72 HydrophobicContact CB-CG 4.43Å; L19-F72 HydrophobicContact CD1-CB 4.1Å; L19-F72 HydrophobicContact CD1-CD1 3.81Å; L19-F72 HydrophobicContact CD1-CG 4.29Å; L19-F72 HydrophobicContact CG-CD1 4.3Å; L19-Y93 HydrophobicContact CB-CD1 4.19Å; L19-Y93 HydrophobicContact CD2-CD1 3.9Å; L19-Y93 HydrophobicContact CD2-CE1 3.81Å; L19-M95 HydrophobicContact CD2-CG 3.7Å; L19-M95 HydrophobicContact CD2-SD 4.33Å
20V96.6Very high93.9Very high14 Ų1460.6 Ų60.69%0.08529%0.289CS..Hα-helixtrans-59.4-46.3170.5168.20000110.4I16 L17 L23 A24 V33 F72I16-V20 HydrophobicContact CG2-CG2 4.39Å; I16-V20 WeakPolarHBondContact O-CG2 3.31Å; I16-V20 PolarHBondContact O-N 2.83Å; L17-V20 PolarHBondContact O-N 3.38Å; V20-L23 PolarHBondContact O-N 2.97Å; V20-A24 WeakPolarHBondContact O-CB 3.23Å; V20-A24 PolarHBondContact O-N 3.42Å; V20-V33 HydrophobicContact CG1-CG1 4.13Å; V20-F72 HydrophobicContact CG2-CE1 4.46Å; V20-F72 HydrophobicContact CG2-CE2 3.95Å; V20-F72 HydrophobicContact CG2-CZ 3.57Å
21K95.5Very high93.3Very high89 Ų8962.6 Ų62.639%0.38731%0.305SS..Hα-helixtrans-65.7-38.7177.4-71.8175.1177.5176.50112.5L17 R18 L19 A24 K25 V33L17-K21 HydrophobicContact CG-CD 4.46Å; L17-K21 WeakPolarHBondContact O-CG 3.36Å; L17-K21 PolarHBondContact O-N 2.88Å; R18-K21 PolarHBondContact O-N 3.06Å; L19-K21 VanDerWaalsContact C-N 3.35Å; K21-A24 PolarHBondContact O-N 3.24Å; K21-K25 WeakPolarHBondContact O-CB 3.33Å; K21-K25 PolarHBondContact O-N 3.45Å; K21-V33 HydrophobicContact CG-CG1 4.14Å
22E94.8Very high92.9Very high51 Ų5162.1 Ų62.124%0.23831%0.305CS..Hα-helixtrans-62-42.2173.9-73.7-178.7-145.900112.2R18 L19 K25 Y26 Y93R18-E22 IonicContact CZ-OE1 3.58Å; R18-E22 IonicContact NH1-OE1 2.76Å; R18-E22 PolarHBondContact NH1-OE1 3.48Å; R18-E22 WeakPolarHBondContact O-CG 3.48Å; R18-E22 PolarHBondContact O-N 2.97Å; L19-E22 PolarHBondContact O-N 2.99Å; E22-K25 PolarHBondContact O-N 3.24Å; E22-Y26 PolarHBondContact O-N 2.69Å; E22-Y93 HydrophobicContact CB-CE1 3.75Å; E22-Y93 WeakPolarHBondContact OE2-CE1 3.3Å; E22-Y93 PolarHBondContact OE2-OH 3.49Å; E22-Y93 VanDerWaalsContact OE2-OH 3.13Å
23L92.4Very high92.6Very high11 Ų1163.6 Ų63.66%0.05831%0.314CS..Hα-helixtrans-65.4-49.1174.7174.861.1000111.4L19 V20 K25 Y26 E27 E91 Y93L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 PolarHBondContact O-N 3.21Å; V20-L23 PolarHBondContact O-N 2.97Å; L23-K25 PolarHBondContact O-N 2.92Å; L23-Y26 HydrophobicContact CD1-CD1 4.49Å; L23-Y26 CarbonylContact O-C 3.58Å; L23-Y26 WeakPolarHBondContact O-CA 3.28Å; L23-Y26 VanDerWaalsContact O-CB 3.27Å; L23-Y26 WeakPolarHBondContact O-CB 3.44Å; L23-Y26 PolarHBondContact O-N 3.01Å; L23-E27 HydrophobicContact CD1-CG 4.21Å; L23-E27 PolarHBondContact O-N 2.88Å; L23-E91 WeakPolarHBondContact CD2-OE2 3.18Å; L23-Y93 HydrophobicContact CB-CD2 3.97Å; L23-Y93 HydrophobicContact CB-CG 4.02Å; L23-Y93 HydrophobicContact CD1-CD2 3.88Å; L23-Y93 HydrophobicContact CG-CD2 4.46Å
24A91.3Very high92.4Very high10 Ų1069.3 Ų69.38%0.08335%0.349CS..Hα-helixtrans-58.9-34.5178.100000111.6V20 K21 E27 E28 M29 E30 V33V20-A24 WeakPolarHBondContact O-CB 3.23Å; V20-A24 PolarHBondContact O-N 3.42Å; K21-A24 PolarHBondContact O-N 3.24Å; A24-E27 CarbonylContact O-C 3.49Å; A24-E27 PolarHBondContact O-N 3.16Å; A24-E28 PolarHBondContact O-N 2.98Å; A24-E28 VanDerWaalsContact O-N 3.1Å; A24-M29 CarbonylContact O-C 3.58Å; A24-M29 PolarHBondContact O-N 2.86Å; A24-E30 PolarHBondContact O-N 3.38Å; A24-V33 HydrophobicContact CB-CG2 3.39Å
25K91.3Very high92.3Very high144 Ų14469.6 Ų69.663%0.62635%0.346SS*.Hα-helixtrans-66.2-40.4171.6-178.5176.3179176.50112.6K21 E22 L23 E27 E28 E30K21-K25 WeakPolarHBondContact O-CB 3.33Å; K21-K25 PolarHBondContact O-N 3.45Å; E22-K25 PolarHBondContact O-N 3.24Å; L23-K25 PolarHBondContact O-N 2.92Å; K25-E27 PolarHBondContact O-N 2.95Å; K25-E28 PolarHBondContact O-N 3.09Å; K25-E30 HydrophobicContact CB-CB 4.39Å
26Y85.7Confident92.2Very high109 Ų10970.4 Ų70.443%0.42735%0.353SS..Hα-helixtrans-61.4-31.6173.6179.1-100.4000112.1E22 L23E22-Y26 PolarHBondContact O-N 2.69Å; L23-Y26 HydrophobicContact CD1-CD1 4.49Å; L23-Y26 CarbonylContact O-C 3.58Å; L23-Y26 WeakPolarHBondContact O-CA 3.28Å; L23-Y26 VanDerWaalsContact O-CB 3.27Å; L23-Y26 WeakPolarHBondContact O-CB 3.44Å; L23-Y26 PolarHBondContact O-N 3.01Å
27E85.3Confident92.2Very high73 Ų7375.1 Ų75.134%0.34137%0.374SS..THydrogen-bonded Turntrans-92.36.3177.9-61-169.9157.900114.1L23 A24 K25 M29L23-E27 HydrophobicContact CD1-CG 4.21Å; L23-E27 PolarHBondContact O-N 2.88Å; A24-E27 CarbonylContact O-C 3.49Å; A24-E27 PolarHBondContact O-N 3.16Å; K25-E27 PolarHBondContact O-N 2.95Å; E27-M29 WeakPolarHBondContact O-CG 3.31Å; E27-M29 PolarHBondContact O-N 2.9Å
28E87.3Confident92.2Very high185 Ų18581 Ų8186%0.86440%0.4SS*.THydrogen-bonded Turntrans59.327-177.3-53.7-176.317000114.3A24 K25A24-E28 PolarHBondContact O-N 2.98Å; A24-E28 VanDerWaalsContact O-N 3.1Å; K25-E28 PolarHBondContact O-N 3.09Å
29M87.6Confident92.2Very high77 Ų7780 Ų8038%0.37940%0.4SS..  trans-119.715-175.5-69178.668.900114A24 E27 S31 Q32A24-M29 CarbonylContact O-C 3.58Å; A24-M29 PolarHBondContact O-N 2.86Å; E27-M29 WeakPolarHBondContact O-CG 3.31Å; E27-M29 PolarHBondContact O-N 2.9Å; M29-S31 PolarHBondContact O-N 2.92Å; M29-S31 VanDerWaalsContact O-N 3.1Å; M29-Q32 WeakPolarHBondContact O-CB 3.3Å; M29-Q32 PolarHBondContact O-N 2.77Å
30E86.2Confident92.2Very high100 Ų10080 Ų8047%0.46740%0.4SS..G310 helixtrans-52.8-36.8-176-172.6176.1-169.900113.7A24 K25 Q32 V33A24-E30 PolarHBondContact O-N 3.38Å; K25-E30 HydrophobicContact CB-CB 4.39Å; E30-Q32 PolarHBondContact O-N 2.91Å; E30-V33 PolarHBondContact O-N 2.99Å
31S86.6Confident92.3Very high117 Ų11783.1 Ų83.182%0.81842%0.416SS*.G310 helixtrans-67.2-14.7178.960.20000114.4M29M29-S31 PolarHBondContact O-N 2.92Å; M29-S31 VanDerWaalsContact O-N 3.1Å
32Q88.4Confident92.4Very high127 Ų12784.2 Ų84.259%0.59342%0.422SS*.G310 helixtrans-88.5-10.1178.2-55.6-169.738.400112.6M29 E30 T34M29-Q32 WeakPolarHBondContact O-CB 3.3Å; M29-Q32 PolarHBondContact O-N 2.77Å; E30-Q32 PolarHBondContact O-N 2.91Å; Q32-T34 PolarHBondContact O-N 3.06Å
33V91.6Very high92.5Very high36 Ų3685 Ų8522%0.21843%0.428CS..  trans-74.393.6178.8-174.60000109.5L17 V20 K21 A24 E30 L35L17-V33 HydrophobicContact CD1-CG1 4.46Å; V20-V33 HydrophobicContact CG1-CG1 4.13Å; K21-V33 HydrophobicContact CG-CG1 4.14Å; A24-V33 HydrophobicContact CB-CG2 3.39Å; E30-V33 PolarHBondContact O-N 2.99Å; V33-L35 HydrophobicContact CG1-CB 4.5Å
34T93.3Very high92.8Very high128 Ų12884.9 Ų84.979%0.78543%0.429SS*.  trans-92.2-7.9174.160.40000113.2Q32Q32-T34 PolarHBondContact O-N 3.06Å
35L94.8Very high93.1Very high62 Ų6287.1 Ų87.133%0.32544%0.438SS..  trans-66.7136.4-177.2-163.768.9000110.9L17 V33 D39 L40L17-L35 WeakPolarHBondContact CD1-O 3.37Å; V33-L35 HydrophobicContact CG1-CB 4.5Å; L35-D39 HydrophobicContact CD1-CB 3.72Å; L35-D39 HydrophobicContact CG-CB 4.46Å; L35-L40 HydrophobicContact CD2-CD1 4.15Å; L35-L40 HydrophobicContact CD2-CD2 3.42Å; L35-L40 VanDerWaalsContact CD2-CD2 3.42Å; L35-L40 HydrophobicContact CD2-CG 3.61Å; L35-L40 HydrophobicContact CG-CD2 4.29Å; L35-L40 HydrophobicContact CG-CG 3.98Å
36T97.4Very high93.1Very high61 Ų6182.2 Ų82.237%0.37443%0.428SS..  trans-109.6164.1177.6730000111.9K38 D39 L40T36-K38 PolarHBondContact O-N 2.89Å; T36-K38 PolarHBondContact OG1-N 2.98Å; T36-D39 VanDerWaalsContact CB-OD2 3.32Å; T36-D39 WeakPolarHBondContact CB-OD2 3.43Å; T36-D39 WeakPolarHBondContact CG2-OD2 3.4Å; T36-D39 PolarHBondContact N-OD2 3.36Å; T36-D39 PolarHBondContact O-N 2.91Å; T36-D39 PolarHBondContact OG1-N 3.01Å; T36-D39 PolarHBondContact OG1-OD1 3.37Å; T36-D39 PolarHBondContact OG1-OD2 3.22Å; T36-L40 PolarHBondContact O-N 3.42Å
37E97.9Very high93.5Very high99 Ų9986.7 Ų86.746%0.46345%0.453SS..Hα-helixtrans-59.2-34.5172.7-67.1-174.5-169.700111.6V13 L17 L41V13-E37 HydrophobicContact CG1-CB 3.64Å; V13-E37 HydrophobicContact CG1-CG 4.05Å; V13-E37 VanDerWaalsContact CG1-O 3.23Å; V13-E37 WeakPolarHBondContact CG1-O 3.38Å; L17-E37 HydrophobicContact CB-CG 4.34Å; L17-E37 HydrophobicContact CD2-CG 3.56Å; E37-L41 WeakPolarHBondContact O-CB 3.43Å; E37-L41 PolarHBondContact O-N 3.33Å
38K97.8Very high93.9Very high132 Ų13289.1 Ų89.157%0.57447%0.472SS*.Hα-helixtrans-63.4-48.3176.8-175.8-172.4168.9-169.10111T36 L40 L41 E42T36-K38 PolarHBondContact O-N 2.89Å; T36-K38 PolarHBondContact OG1-N 2.98Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 2.89Å; K38-L41 PolarHBondContact O-N 2.72Å; K38-E42 VanDerWaalsContact CE-CD 3.49Å; K38-E42 WeakPolarHBondContact CE-OE1 3.13Å; K38-E42 IonicContact NZ-OE1 3.71Å; K38-E42 WeakPolarHBondContact O-CG 3.44Å; K38-E42 PolarHBondContact O-N 2.8Å
39D97.3Very high94.4Very high54 Ų5482.2 Ų82.229%0.28944%0.444SS..Hα-helixtrans-60.8-47179.3-51.4-43.9000110.2L35 T36 L41 E42 D43L35-D39 HydrophobicContact CD1-CB 3.72Å; L35-D39 HydrophobicContact CG-CB 4.46Å; T36-D39 VanDerWaalsContact CB-OD2 3.32Å; T36-D39 WeakPolarHBondContact CB-OD2 3.43Å; T36-D39 WeakPolarHBondContact CG2-OD2 3.4Å; T36-D39 PolarHBondContact N-OD2 3.36Å; T36-D39 PolarHBondContact O-N 2.91Å; T36-D39 PolarHBondContact OG1-N 3.01Å; T36-D39 PolarHBondContact OG1-OD1 3.37Å; T36-D39 PolarHBondContact OG1-OD2 3.22Å; D39-L41 VanDerWaalsContact C-N 3.31Å; D39-L41 PolarHBondContact O-N 3.21Å; D39-E42 PolarHBondContact O-N 2.76Å; D39-D43 VanDerWaalsContact O-CB 3.28Å; D39-D43 WeakPolarHBondContact O-CB 3.46Å; D39-D43 PolarHBondContact O-N 3.21Å
40L97.9Very high94.9Very high1 Ų186.6 Ų86.61%0.00546%0.461CS..Hα-helixtrans-57.1-43.9176-77.5168.7000112.1V13 I16 L17 L35 T36 K38 G44 Y51 M74V13-L40 HydrophobicContact CG1-CB 3.94Å; V13-L40 HydrophobicContact CG1-CD1 4.43Å; I16-L40 HydrophobicContact CG2-CD1 4.17Å; I16-L40 HydrophobicContact CG2-CD2 4.18Å; L17-L40 HydrophobicContact CB-CD1 3.7Å; L17-L40 HydrophobicContact CD1-CD1 3.99Å; L17-L40 HydrophobicContact CG-CD1 4.36Å; L35-L40 HydrophobicContact CD2-CD1 4.15Å; L35-L40 HydrophobicContact CD2-CD2 3.42Å; L35-L40 VanDerWaalsContact CD2-CD2 3.42Å; L35-L40 HydrophobicContact CD2-CG 3.61Å; L35-L40 HydrophobicContact CG-CD2 4.29Å; L35-L40 HydrophobicContact CG-CG 3.98Å; T36-L40 PolarHBondContact O-N 3.42Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 2.89Å; L40-G44 WeakPolarHBondContact O-CA 3.24Å; L40-G44 PolarHBondContact O-N 2.84Å; L40-Y51 VanDerWaalsContact C-OH 3.26Å; L40-Y51 VanDerWaalsContact CA-OH 3.29Å; L40-Y51 WeakPolarHBondContact CA-OH 3.17Å; L40-Y51 WeakPolarHBondContact CB-OH 3.37Å; L40-Y51 HydrophobicContact CD2-CE1 4.06Å; L40-Y51 HydrophobicContact CD2-CE2 4.36Å; L40-Y51 WeakPolarHBondContact CD2-OH 3.47Å; L40-Y51 PolarHBondContact O-OH 3.35Å; L40-M74 HydrophobicContact CD2-CE 3.96Å
41L97.9Very high95.5Very high79 Ų7982.7 Ų82.741%0.41444%0.442SS..Hα-helixtrans-63.7-48.1179.7-178.163.5000111.6P10 V13 E37 K38 D39 F45P10-L41 HydrophobicContact CB-CD1 3.73Å; P10-L41 HydrophobicContact CG-CD1 4.47Å; V13-L41 HydrophobicContact CG2-CB 4.27Å; V13-L41 HydrophobicContact CG2-CD1 4.2Å; E37-L41 WeakPolarHBondContact O-CB 3.43Å; E37-L41 PolarHBondContact O-N 3.33Å; K38-L41 PolarHBondContact O-N 2.72Å; D39-L41 VanDerWaalsContact C-N 3.31Å; D39-L41 PolarHBondContact O-N 3.21Å; L41-F45 HydrophobicContact CD1-CB 4.44Å; L41-F45 HydrophobicContact CD1-CD2 4.19Å; L41-F45 PolarHBondContact O-N 3.09Å
42E97Very high96.1Very high112 Ų11279.1 Ų79.152%0.52341%0.412SS..Hα-helixtrans-66-46.9-178.1-71178.8173.400111.3K38 D39 G46K38-E42 VanDerWaalsContact CE-CD 3.49Å; K38-E42 WeakPolarHBondContact CE-OE1 3.13Å; K38-E42 IonicContact NZ-OE1 3.71Å; K38-E42 WeakPolarHBondContact O-CG 3.44Å; K38-E42 PolarHBondContact O-N 2.8Å; D39-E42 PolarHBondContact O-N 2.76Å; E42-G46 PolarHBondContact O-N 3.18Å
43D97.9Very high96.6Very high68 Ų6873.3 Ų73.336%0.36439%0.386SS..Hα-helixtrans-79.6-27.4-174.3-65.6-20.5000113.1D39 P49 F50 Y51D39-D43 VanDerWaalsContact O-CB 3.28Å; D39-D43 WeakPolarHBondContact O-CB 3.46Å; D39-D43 PolarHBondContact O-N 3.21Å; D43-P49 CarbonylContact O-C 3.44Å; D43-P49 VanDerWaalsContact O-CA 3.23Å; D43-P49 WeakPolarHBondContact O-CA 3.37Å; D43-F50 HydrophobicContact CB-CB 4.47Å; D43-F50 PolarHBondContact O-N 2.95Å; D43-Y51 HydrophobicContact CB-CD1 4.24Å; D43-Y51 HydrophobicContact CB-CE1 3.89Å
44G97.9Very high96.9Very high8 Ų871.7 Ų71.78%0.08238%0.376CS..Hα-helixtrans-97.2-20.9-174.100000115.3L40 P49 Y51L40-G44 WeakPolarHBondContact O-CA 3.24Å; L40-G44 PolarHBondContact O-N 2.84Å; G44-P49 VanDerWaalsContact O-CB 3.3Å; G44-P49 WeakPolarHBondContact O-CB 3.49Å; G44-Y51 VanDerWaalsContact CA-CE1 3.5Å; G44-Y51 VanDerWaalsContact CA-CZ 3.47Å
45F97.3Very high97.1Very high58 Ų5865.6 Ų65.625%0.25434%0.338SS..Hα-helixtrans-1349.1-168.5-55.3-86.1000114.5A8 E9 P10 V13 L41A8-F45 HydrophobicContact CB-CE1 4.3Å; A8-F45 HydrophobicContact CB-CZ 4.03Å; E9-F45 WeakPolarHBondContact O-CZ 3.16Å; P10-F45 HydrophobicContact CG-CB 4.11Å; P10-F45 HydrophobicContact CG-CD1 3.85Å; P10-F45 HydrophobicContact CG-CE1 4.48Å; P10-F45 HydrophobicContact CG-CG 3.98Å; V13-F45 HydrophobicContact CG2-CD2 4.12Å; V13-F45 HydrophobicContact CG2-CE2 3.57Å; V13-F45 HydrophobicContact CG2-CZ 4.39Å; L41-F45 HydrophobicContact CD1-CB 4.44Å; L41-F45 HydrophobicContact CD1-CD2 4.19Å; L41-F45 PolarHBondContact O-N 3.09Å
46G91.9Very high97.3Very high41 Ų4162.6 Ų62.642%0.42332%0.323SS..SBendtrans-72-174.3169.100000113.9E42 T48E42-G46 PolarHBondContact O-N 3.18Å; G46-T48 VanDerWaalsContact C-N 3.31Å; G46-T48 PolarHBondContact O-N 3.04Å
47E93.4Very high97.2Very high203 Ų20360.6 Ų60.695%0.94931%0.309SS*.SBendtrans-62-37.2-179.9-67.3-172.9165.700113
48T95.1Very high97.1Very high123 Ų12356.2 Ų56.276%0.75529%0.289SS*.SBendtrans-12685177-51.90000108.6G46G46-T48 VanDerWaalsContact C-N 3.31Å; G46-T48 PolarHBondContact O-N 3.04Å
49P97.4Very high96.7Very high41 Ų4153.5 Ų53.527%0.26629%0.285SS..  trans-70.2139.7-176.230.8-37.4000111.3D43 G44 H52D43-P49 CarbonylContact O-C 3.44Å; D43-P49 VanDerWaalsContact O-CA 3.23Å; D43-P49 WeakPolarHBondContact O-CA 3.37Å; G44-P49 VanDerWaalsContact O-CB 3.3Å; G44-P49 WeakPolarHBondContact O-CB 3.49Å; P49-H52 VanDerWaalsContact CG-CE1 3.49Å; P49-H52 WeakPolarHBondContact CG-CE1 3.42Å
50F98.3Very high95.9Very high168 Ų16852 Ų5274%0.73728%0.282SS*.SBendtrans-75.8-27.3176.1-85.4-94.8000112.6D43 Y76D43-F50 HydrophobicContact CB-CB 4.47Å; D43-F50 PolarHBondContact O-N 2.95Å; F50-Y76 WeakPolarHBondContact O-CB 3.27Å
51Y98.6Very high94.8Very high19 Ų1961.1 Ų61.18%0.07533%0.325CS..  trans-140.9167.7178.673.5-92.6000111.4L40 D43 G44 C53 M74L40-Y51 VanDerWaalsContact C-OH 3.26Å; L40-Y51 VanDerWaalsContact CA-OH 3.29Å; L40-Y51 WeakPolarHBondContact CA-OH 3.17Å; L40-Y51 WeakPolarHBondContact CB-OH 3.37Å; L40-Y51 HydrophobicContact CD2-CE1 4.06Å; L40-Y51 HydrophobicContact CD2-CE2 4.36Å; L40-Y51 WeakPolarHBondContact CD2-OH 3.47Å; L40-Y51 PolarHBondContact O-OH 3.35Å; D43-Y51 HydrophobicContact CB-CD1 4.24Å; D43-Y51 HydrophobicContact CB-CE1 3.89Å; G44-Y51 VanDerWaalsContact CA-CE1 3.5Å; G44-Y51 VanDerWaalsContact CA-CZ 3.47Å; Y51-C53 VanDerWaalsContact CE2-SG 3.58Å; Y51-M74 HydrophobicContact CD2-CE 3.82Å; Y51-M74 HydrophobicContact CD2-CG 3.69Å; Y51-M74 HydrophobicContact CD2-SD 3.88Å; Y51-M74 HydrophobicContact CE2-CE 3.77Å; Y51-M74 HydrophobicContact CE2-SD 4.43Å; Y51-M74 HydrophobicContact CG-CE 4.32Å; Y51-M74 HydrophobicContact CG-CG 4.04Å; Y51-M74 HydrophobicContact CG-SD 3.94Å
52H98.6Very high93.8Very high41 Ų4162 Ų6219%0.1933%0.33CS..EExtended strand (participates in β ladder)trans-131.6149.2174.2-60.6-52.4000109.9P49 M74 Y75P49-H52 VanDerWaalsContact CG-CE1 3.49Å; P49-H52 WeakPolarHBondContact CG-CE1 3.42Å; H52-M74 CarbonylContact O-C 3.48Å; H52-M74 WeakPolarHBondContact O-CA 3.48Å; H52-Y75 HydrophobicContact CB-CD1 4.03Å; H52-Y75 HydrophobicContact CB-CD2 4.3Å; H52-Y75 HydrophobicContact CB-CE1 3.46Å; H52-Y75 VanDerWaalsContact CB-CE1 3.46Å; H52-Y75 HydrophobicContact CB-CE2 3.76Å; H52-Y75 HydrophobicContact CB-CG 4.42Å; H52-Y75 WeakPolarHBondContact CB-OH 2.99Å; H52-Y75 AromaticContact CD2-CE2 3.74Å; H52-Y75 AromaticContact CG-CZ 3.99Å; H52-Y75 PolarHBondContact N-O 3.05Å; H52-Y75 WeakPolarHBondContact O-CD1 3.38Å; H52-Y75 PolarHBondContact O-N 3.47Å
53C98.6Very high92.4Very high5 Ų563.4 Ų63.43%0.03435%0.353CS..EExtended strand (participates in β ladder)trans-123.9139176.5-74.60000112.3A8 I16 Y51 A73A8-C53 HydrophobicContact CB-CB 3.57Å; A8-C53 PolarHBondContact N-O 3.18Å; I16-C53 HydrophobicContact CD1-CB 4.02Å; Y51-C53 VanDerWaalsContact CE2-SG 3.58Å; C53-A73 CarbonylContact C-O 3.49Å; C53-A73 VanDerWaalsContact CA-O 3.25Å; C53-A73 WeakPolarHBondContact CA-O 3.41Å
54I98.5Very high91.2Very high2 Ų265.1 Ų65.11%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-104.9134.8160.6-58.1-55.4000107.4L5 R6 F72 A73 Y75 H110 L111L5-I54 HydrophobicContact CB-CG2 4.38Å; R6-I54 WeakPolarHBondContact O-CA 3.48Å; I54-F72 CarbonylContact O-C 3.47Å; I54-F72 WeakPolarHBondContact O-CA 3.29Å; I54-A73 PolarHBondContact N-O 3.08Å; I54-A73 PolarHBondContact O-N 2.88Å; I54-Y75 HydrophobicContact CD1-CE1 4.3Å; I54-Y75 HydrophobicContact CG1-CE1 3.99Å; I54-H110 VanDerWaalsContact CD1-NE2 3.33Å; I54-H110 WeakPolarHBondContact CD1-NE2 3.49Å; I54-L111 HydrophobicContact CG1-CD2 4.17Å
55I98.3Very high90.4Very high0 Ų068.1 Ų68.10%038%0.384CS..EExtended strand (participates in β ladder)trans-115150.8174.966.3162.6000111.4L5 R6 A8 D12 V69 G71 F72L5-I55 WeakPolarHBondContact CA-O 3.32Å; R6-I55 HydrophobicContact CG-CD1 4.12Å; R6-I55 HydrophobicContact CG-CG1 3.69Å; R6-I55 PolarHBondContact N-O 2.64Å; R6-I55 VanDerWaalsContact N-O 3.09Å; R6-I55 VanDerWaalsContact NH1-CD1 3.32Å; R6-I55 PolarHBondContact O-N 3.32Å; A8-I55 HydrophobicContact CB-CG2 4.12Å; D12-I55 HydrophobicContact CB-CD1 4.44Å; I55-V69 HydrophobicContact CB-CG1 4.06Å; I55-V69 HydrophobicContact CD1-CG1 4.32Å; I55-V69 HydrophobicContact CD1-CG2 3.82Å; I55-V69 HydrophobicContact CG2-CG1 4.31Å; I55-G71 WeakPolarHBondContact CA-O 3.45Å; I55-F72 HydrophobicContact CG2-CB 4.37Å
56A98.2Very high89.7Confident0 Ų073.6 Ų73.60%041%0.41CS..EExtended strand (participates in β ladder)trans-107.3120.3169.900000109.5K4 L5 V69 V70 G71 I103 I107K4-A56 WeakPolarHBondContact O-CA 3.34Å; L5-A56 HydrophobicContact CD2-CB 3.61Å; A56-V69 WeakPolarHBondContact O-CA 3.43Å; A56-V70 HydrophobicContact CB-CG2 4.36Å; A56-V70 PolarHBondContact O-N 2.7Å; A56-G71 PolarHBondContact N-O 2.84Å; A56-I103 HydrophobicContact CB-CG2 3.48Å; A56-I103 VanDerWaalsContact CB-CG2 3.48Å; A56-I107 HydrophobicContact CB-CD1 4.27Å
57E96.4Very high89.6Confident18 Ų1875 Ų758%0.08441%0.412CS..EExtended strand (participates in β ladder)trans-111.7139.4176.366.9-167.9177.100110.5Y3 K4 R6 P67 S68Y3-E57 CarbonylContact C-O 3.58Å; Y3-E57 VanDerWaalsContact CA-O 3.31Å; Y3-E57 WeakPolarHBondContact CA-O 3.34Å; K4-E57 HydrophobicContact CB-CG 3.86Å; K4-E57 VanDerWaalsContact CD-OE1 3.26Å; K4-E57 WeakPolarHBondContact CD-OE1 3.48Å; K4-E57 WeakPolarHBondContact CE-OE1 3.23Å; K4-E57 HydrophobicContact CG-CG 4.43Å; K4-E57 PolarHBondContact N-O 2.91Å; K4-E57 IonicContact NZ-OE1 2.91Å; K4-E57 PolarHBondContact NZ-OE1 3.07Å; K4-E57 PolarHBondContact O-N 3.4Å; R6-E57 IonicContact CZ-OE2 3.43Å; R6-E57 IonicContact NE-OE1 3.54Å; R6-E57 IonicContact NE-OE2 2.77Å; R6-E57 PolarHBondContact NE-OE2 2.91Å; R6-E57 IonicContact NH2-OE2 2.7Å; R6-E57 PolarHBondContact NH2-OE2 2.9Å; E57-P67 HydrophobicContact CB-CB 4.01Å; E57-P67 HydrophobicContact CG-CB 4.25Å; E57-S68 CarbonylContact C-O 3.57Å; E57-S68 VanDerWaalsContact CA-O 3.26Å; E57-S68 WeakPolarHBondContact CA-O 3.48Å
58T93.9Very high89.6Confident7 Ų768 Ų684%0.04339%0.385CS..EExtended strand (participates in β ladder)trans-108.6147.8168.555.90000109.7M1 P67 S68 V70M1-T58 HydrophobicContact CE-CG2 3.64Å; M1-T58 HydrophobicContact CG-CG2 4.35Å; M1-T58 HydrophobicContact SD-CG2 4.02Å; T58-P67 CarbonylContact O-C 3.57Å; T58-P67 VanDerWaalsContact O-CA 3.28Å; T58-P67 WeakPolarHBondContact O-CA 3.15Å; T58-S68 PolarHBondContact N-O 2.82Å; T58-S68 PolarHBondContact O-N 2.87Å; T58-V70 HydrophobicContact CG2-CG1 4.26Å; T58-V70 HydrophobicContact CG2-CG2 3.71Å
59P89.3Confident89.7Confident75 Ų7562.3 Ų62.349%0.48735%0.35SS..  trans-52.2145.9171.4-22.832.6000111.2E2E2-P59 HydrophobicContact CB-CG 4.49Å; E2-P59 VanDerWaalsContact O-CD 3.23Å; E2-P59 WeakPolarHBondContact O-CD 3.48Å
60G81.3Confident89.7Confident23 Ų2360.4 Ų60.424%0.23734%0.338CS..  trans-63.6160.2171.100000111.6N62G60-N62 PolarHBondContact O-N 2.84Å
61E74.5Confident89.6Confident192 Ų19252.4 Ų52.490%0.89730%0.303SS*.SBendtrans-64.1-33.4-176.7-69.4-173170.500111.8
62N77.6Confident89.6Confident98 Ų9851.5 Ų51.552%0.52430%0.299SS..SBendtrans-109.4157.4170.8-52.1-72000111.5G60 S64 D65G60-N62 PolarHBondContact O-N 2.84Å; N62-S64 PolarHBondContact O-N 3.43Å; N62-D65 VanDerWaalsContact CB-OD2 3.3Å; N62-D65 WeakPolarHBondContact CB-OD2 3.42Å; N62-D65 PolarHBondContact N-OD2 2.71Å; N62-D65 PolarHBondContact ND2-OD2 2.77Å; N62-D65 WeakPolarHBondContact O-CB 3.26Å; N62-D65 PolarHBondContact O-N 2.73Å
63S66.9Low89.6Confident142 Ų14249.6 Ų49.699%0.99329%0.29SS*.THydrogen-bonded Turntrans-63-14.7178.750.80000114.8
64S72.7Confident89.6Confident104 Ų10450.2 Ų50.273%0.72729%0.293SS*.THydrogen-bonded Turntrans-94.2-10.4175.552.30000113.9N62N62-S64 PolarHBondContact O-N 3.43Å
65D81.8Confident89.7Confident70 Ų7050.8 Ų50.837%0.37430%0.295SS..SBendtrans-83.4139.6-174.5-63.1-20.6000109.9N62N62-D65 VanDerWaalsContact CB-OD2 3.3Å; N62-D65 WeakPolarHBondContact CB-OD2 3.42Å; N62-D65 PolarHBondContact N-OD2 2.71Å; N62-D65 PolarHBondContact ND2-OD2 2.77Å; N62-D65 WeakPolarHBondContact O-CB 3.26Å; N62-D65 PolarHBondContact O-N 2.73Å
66E83.1Confident89.7Confident174 Ų17454 Ų5481%0.81331%0.308SS*.PPolyproline II helixtrans-64.5147.5174.4-67.2-169.6167.600110.7S68E66-S68 PolarHBondContact O-N 3.43Å
67P88.8Confident89.7Confident71 Ų7158.1 Ų58.146%0.46133%0.326SS..PPolyproline II helixtrans-55.9135.7174-23.133.3000111.3E57 T58E57-P67 HydrophobicContact CB-CB 4.01Å; E57-P67 HydrophobicContact CG-CB 4.25Å; T58-P67 CarbonylContact O-C 3.57Å; T58-P67 VanDerWaalsContact O-CA 3.28Å; T58-P67 WeakPolarHBondContact O-CA 3.15Å
68S93.3Very high89.8Confident54 Ų5459.6 Ų59.638%0.37834%0.336SS..EExtended strand (participates in β ladder)trans-92.1130.2178.3-174.10000110.4E57 T58 E66 V70E57-S68 CarbonylContact C-O 3.57Å; E57-S68 VanDerWaalsContact CA-O 3.26Å; E57-S68 WeakPolarHBondContact CA-O 3.48Å; T58-S68 PolarHBondContact N-O 2.82Å; T58-S68 PolarHBondContact O-N 2.87Å; E66-S68 PolarHBondContact O-N 3.43Å; S68-V70 PolarHBondContact O-N 3.35Å
69V96.9Very high90Very high4 Ų467.5 Ų67.52%0.02437%0.366CS..EExtended strand (participates in β ladder)trans-78.8114.5173.7-177.10000109.6D15 R18 L19 I55 A56D15-V69 HydrophobicContact CB-CB 3.95Å; D15-V69 HydrophobicContact CB-CG1 4.14Å; D15-V69 HydrophobicContact CB-CG2 4.18Å; R18-V69 PolarHBondContact NH2-O 3.4Å; L19-V69 HydrophobicContact CD1-CG1 3.9Å; I55-V69 HydrophobicContact CB-CG1 4.06Å; I55-V69 HydrophobicContact CD1-CG1 4.32Å; I55-V69 HydrophobicContact CD1-CG2 3.82Å; I55-V69 HydrophobicContact CG2-CG1 4.31Å; A56-V69 WeakPolarHBondContact O-CA 3.43Å
70V97.3Very high90.4Very high2 Ų266.1 Ų66.11%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-115.6-1.3-171.1-61.90000114.4A56 T58 S68 M95 C98 I103A56-V70 HydrophobicContact CB-CG2 4.36Å; A56-V70 PolarHBondContact O-N 2.7Å; T58-V70 HydrophobicContact CG2-CG1 4.26Å; T58-V70 HydrophobicContact CG2-CG2 3.71Å; S68-V70 PolarHBondContact O-N 3.35Å; V70-M95 HydrophobicContact CB-SD 4.1Å; V70-M95 HydrophobicContact CG1-SD 4.15Å; V70-M95 WeakPolarHBondContact O-CB 3.43Å; V70-M95 VanDerWaalsContact O-CG 3.3Å; V70-M95 WeakPolarHBondContact O-CG 3.14Å; V70-M95 PolarHBondContact O-N 2.71Å; V70-C98 HydrophobicContact CB-CB 4.33Å; V70-C98 HydrophobicContact CG2-CB 4.46Å; V70-I103 HydrophobicContact CG2-CD1 3.93Å
71G97.9Very high91.2Very high0 Ų070.4 Ų70.40%038%0.378CS..EExtended strand (participates in β ladder)trans-172.9161.4176.700000111.5I55 A56 Y93I55-G71 WeakPolarHBondContact CA-O 3.45Å; A56-G71 PolarHBondContact N-O 2.84Å; G71-Y93 CarbonylContact C-O 3.48Å; G71-Y93 WeakPolarHBondContact CA-O 3.11Å
72F98.6Very high92.3Very high0 Ų070.8 Ų70.80%037%0.372CS..EExtended strand (participates in β ladder)trans-150.5162.1178.582.7-65.5000111.5I16 L19 V20 I54 I55 M74 E91 Y93I16-F72 HydrophobicContact CG2-CD2 4.44Å; I16-F72 HydrophobicContact CG2-CE2 4.45Å; L19-F72 HydrophobicContact CB-CD1 3.51Å; L19-F72 HydrophobicContact CB-CE1 3.59Å; L19-F72 HydrophobicContact CB-CG 4.43Å; L19-F72 HydrophobicContact CD1-CB 4.1Å; L19-F72 HydrophobicContact CD1-CD1 3.81Å; L19-F72 HydrophobicContact CD1-CG 4.29Å; L19-F72 HydrophobicContact CG-CD1 4.3Å; V20-F72 HydrophobicContact CG2-CE1 4.46Å; V20-F72 HydrophobicContact CG2-CE2 3.95Å; V20-F72 HydrophobicContact CG2-CZ 3.57Å; I54-F72 CarbonylContact O-C 3.47Å; I54-F72 WeakPolarHBondContact O-CA 3.29Å; I55-F72 HydrophobicContact CG2-CB 4.37Å; F72-M74 HydrophobicContact CD2-CB 4.48Å; F72-M74 HydrophobicContact CE2-CB 4.12Å; F72-E91 HydrophobicContact CE2-CB 3.78Å; F72-E91 HydrophobicContact CZ-CB 3.74Å; F72-E91 HydrophobicContact CZ-CG 4.41Å; F72-Y93 PolarHBondContact N-O 3.48Å; F72-Y93 PolarHBondContact O-N 2.84Å
73A98.7Very high93.2Very high0 Ų069.8 Ų69.80%037%0.369CS..EExtended strand (participates in β ladder)trans-132.8131.9160.400000109.6C53 I54 L89 E91 F92 I107 L111C53-A73 CarbonylContact C-O 3.49Å; C53-A73 VanDerWaalsContact CA-O 3.25Å; C53-A73 WeakPolarHBondContact CA-O 3.41Å; I54-A73 PolarHBondContact N-O 3.08Å; I54-A73 PolarHBondContact O-N 2.88Å; A73-L89 HydrophobicContact CB-CD1 3.88Å; A73-E91 CarbonylContact C-O 3.54Å; A73-E91 WeakPolarHBondContact CA-O 3.37Å; A73-F92 HydrophobicContact CB-CD2 4.24Å; A73-I107 HydrophobicContact CB-CG2 3.53Å; A73-L111 HydrophobicContact CB-CD1 4.02Å
74M98.8Very high94.6Very high18 Ų1863.7 Ų63.79%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-101.8132.3171.2-173.9177.7-68.900109.2I16 L40 Y51 H52 F72 E90 E91I16-M74 HydrophobicContact CG2-CE 4.31Å; L40-M74 HydrophobicContact CD2-CE 3.96Å; Y51-M74 HydrophobicContact CD2-CE 3.82Å; Y51-M74 HydrophobicContact CD2-CG 3.69Å; Y51-M74 HydrophobicContact CD2-SD 3.88Å; Y51-M74 HydrophobicContact CE2-CE 3.77Å; Y51-M74 HydrophobicContact CE2-SD 4.43Å; Y51-M74 HydrophobicContact CG-CE 4.32Å; Y51-M74 HydrophobicContact CG-CG 4.04Å; Y51-M74 HydrophobicContact CG-SD 3.94Å; H52-M74 CarbonylContact O-C 3.48Å; H52-M74 WeakPolarHBondContact O-CA 3.48Å; F72-M74 HydrophobicContact CD2-CB 4.48Å; F72-M74 HydrophobicContact CE2-CB 4.12Å; M74-E90 HydrophobicContact CB-CB 4.4Å; M74-E90 HydrophobicContact CG-CB 4.31Å; M74-E90 PolarHBondContact O-N 3.32Å; M74-E90 HydrophobicContact SD-CG 4.42Å; M74-E91 HydrophobicContact CB-CB 3.9Å; M74-E91 HydrophobicContact CB-CG 4.43Å; M74-E91 PolarHBondContact N-O 2.93Å; M74-E91 PolarHBondContact O-N 2.9Å
75Y98.9Very high95.9Very high14 Ų1463.2 Ų63.26%0.05531%0.313CS..EExtended strand (participates in β ladder)trans-147162.4-17972.7-83.5000111.8H52 I54 F77 L87 Y88 L111 L114H52-Y75 HydrophobicContact CB-CD1 4.03Å; H52-Y75 HydrophobicContact CB-CD2 4.3Å; H52-Y75 HydrophobicContact CB-CE1 3.46Å; H52-Y75 VanDerWaalsContact CB-CE1 3.46Å; H52-Y75 HydrophobicContact CB-CE2 3.76Å; H52-Y75 HydrophobicContact CB-CG 4.42Å; H52-Y75 WeakPolarHBondContact CB-OH 2.99Å; H52-Y75 AromaticContact CD2-CE2 3.74Å; H52-Y75 AromaticContact CG-CZ 3.99Å; H52-Y75 PolarHBondContact N-O 3.05Å; H52-Y75 WeakPolarHBondContact O-CD1 3.38Å; H52-Y75 PolarHBondContact O-N 3.47Å; I54-Y75 HydrophobicContact CD1-CE1 4.3Å; I54-Y75 HydrophobicContact CG1-CE1 3.99Å; Y75-F77 HydrophobicContact CE2-CE2 4.23Å; Y75-F77 HydrophobicContact CE2-CZ 4.08Å; Y75-L87 HydrophobicContact CD2-CD1 3.97Å; Y75-L87 HydrophobicContact CD2-CD2 4.45Å; Y75-L87 HydrophobicContact CD2-CG 4.09Å; Y75-L87 HydrophobicContact CE2-CD1 4.39Å; Y75-L87 HydrophobicContact CG-CD2 4.49Å; Y75-Y88 CarbonylContact C-O 3.54Å; Y75-Y88 WeakPolarHBondContact CA-O 3.4Å; Y75-Y88 WeakPolarHBondContact CB-O 3.37Å; Y75-L111 HydrophobicContact CD1-CD2 3.67Å; Y75-L111 HydrophobicContact CE1-CD2 3.99Å; Y75-L111 HydrophobicContact CG-CD2 4.04Å; Y75-L114 HydrophobicContact CD2-CD2 4.28Å; Y75-L114 HydrophobicContact CE1-CD2 4.21Å; Y75-L114 HydrophobicContact CE2-CD2 3.36Å; Y75-L114 WeakPolarHBondContact OH-CD2 3.4Å
76Y98.8Very high96.7Very high69 Ų6960.6 Ų60.627%0.27130%0.299SS..EExtended strand (participates in β ladder)trans-146.4178.8169.945.9-95.8000109.7F50 T78 Y88 E90F50-Y76 WeakPolarHBondContact O-CB 3.27Å; Y76-T78 HydrophobicContact CD2-CG2 3.87Å; Y76-T78 HydrophobicContact CE2-CG2 3.72Å; Y76-Y88 HydrophobicContact CD2-CG 4.39Å; Y76-Y88 HydrophobicContact CE1-CD1 4.06Å; Y76-Y88 AromaticContact CE2-CD1 3.66Å; Y76-Y88 HydrophobicContact CE2-CD1 3.66Å; Y76-Y88 AromaticContact CE2-CG 3.66Å; Y76-Y88 HydrophobicContact CE2-CG 3.66Å; Y76-Y88 AromaticContact CZ-CD1 3.36Å; Y76-Y88 AromaticContact CZ-CE1 3.94Å; Y76-Y88 AromaticContact CZ-CG 3.88Å; Y76-Y88 PolarHBondContact N-O 2.83Å; Y76-Y88 PolarHBondContact O-N 2.95Å; Y76-Y88 WeakPolarHBondContact OH-CD1 3.42Å; Y76-Y88 VanDerWaalsContact OH-CE1 3.24Å; Y76-Y88 WeakPolarHBondContact OH-CE1 3.47Å; Y76-E90 HydrophobicContact CD1-CB 4.3Å; Y76-E90 HydrophobicContact CE1-CB 3.66Å; Y76-E90 HydrophobicContact CE1-CG 3.96Å; Y76-E90 VanDerWaalsContact CE1-OE2 3.29Å; Y76-E90 WeakPolarHBondContact CE1-OE2 3.19Å; Y76-E90 VanDerWaalsContact CZ-OE2 3.3Å; Y76-E90 PolarHBondContact OH-OE2 2.81Å
77F98.6Very high97.4Very high86 Ų8652.3 Ų52.338%0.37726%0.26SS..EExtended strand (participates in β ladder)trans-104.7134.3177.1-64.4-72.8000110.3Y75 Q86 L87 L114 T118Y75-F77 HydrophobicContact CE2-CE2 4.23Å; Y75-F77 HydrophobicContact CE2-CZ 4.08Å; F77-Q86 WeakPolarHBondContact CA-O 3.38Å; F77-L87 HydrophobicContact CE1-CB 4.46Å; F77-L87 HydrophobicContact CE1-CD1 4.22Å; F77-L87 HydrophobicContact CE1-CG 4.43Å; F77-L114 HydrophobicContact CZ-CD2 4.38Å; F77-L114 HydrophobicContact CZ-CG 4.46Å; F77-T118 HydrophobicContact CE1-CG2 4.09Å; F77-T118 HydrophobicContact CZ-CG2 3.79Å
78T98.4Very high97.9Very high48 Ų4851.1 Ų51.129%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-117.4176.4173.154.80000109.8Y76 Q86 Y88Y76-T78 HydrophobicContact CD2-CG2 3.87Å; Y76-T78 HydrophobicContact CE2-CG2 3.72Å; T78-Q86 PolarHBondContact N-O 3.17Å; T78-Q86 PolarHBondContact O-N 3.3Å; T78-Q86 WeakPolarHBondContact OG1-CB 3.4Å; T78-Y88 HydrophobicContact CG2-CD2 4.22Å; T78-Y88 HydrophobicContact CG2-CG 4.25Å
79Y98.5Very high98.2Very high173 Ų17348.7 Ų48.768%0.67823%0.229SC*.EExtended strand (participates in β ladder)trans-134.8132.1-179.9-152.4-88.8000110K85Y79-K85 HydrophobicContact CD2-CG 3.92Å; Y79-K85 HydrophobicContact CE2-CG 3.74Å
80D97.4Very high98.2Very high47 Ų4752.1 Ų52.125%0.25125%0.245SC..EExtended strand (participates in β ladder)trans-106129.5172.5-179.5-70.4000108.7W82 V83 G84 Q86D80-W82 PolarHBondContact O-N 3Å; D80-W82 VanDerWaalsContact OD1-CA 3.29Å; D80-W82 WeakPolarHBondContact OD1-CA 3.28Å; D80-W82 VanDerWaalsContact OD1-CB 3.28Å; D80-W82 WeakPolarHBondContact OD1-CB 3.29Å; D80-W82 PolarHBondContact OD1-N 3.31Å; D80-V83 HydrophobicContact CB-CG2 3.69Å; D80-V83 PolarHBondContact OD1-N 2.96Å; D80-G84 PolarHBondContact N-O 2.7Å; D80-G84 VanDerWaalsContact O-CA 3.24Å; D80-G84 WeakPolarHBondContact O-CA 3.21Å; D80-G84 PolarHBondContact O-N 2.91Å; D80-Q86 HydrophobicContact CB-CG 4.09Å
81P97.7Very high98.1Very high112 Ų11254.5 Ų54.573%0.72726%0.256SS*.THydrogen-bonded Turntrans-68.8-18.4-177.328.1-34.9000114.2
82W96.6Very high98.1Very high201 Ų20156.2 Ų56.276%0.76126%0.264SS*.THydrogen-bonded Turntrans-91.9-39.2178.1-56.8-37.3000112.6D80 W152D80-W82 PolarHBondContact O-N 3Å; D80-W82 VanDerWaalsContact OD1-CA 3.29Å; D80-W82 WeakPolarHBondContact OD1-CA 3.28Å; D80-W82 VanDerWaalsContact OD1-CB 3.28Å; D80-W82 WeakPolarHBondContact OD1-CB 3.29Å; D80-W82 PolarHBondContact OD1-N 3.31Å; W82-W152 HydrophobicContact CH2-CZ2 4.5Å
83V96.6Very high98Very high77 Ų7757.1 Ų57.147%0.46727%0.267SS..THydrogen-bonded Turntrans-120.7-2.6-171.9-58.70000114.8D80 T121D80-V83 HydrophobicContact CB-CG2 3.69Å; D80-V83 PolarHBondContact OD1-N 2.96Å; V83-T121 WeakPolarHBondContact CG2-OG1 2.91Å; V83-T121 WeakPolarHBondContact O-CG2 3.18Å; V83-T121 PolarHBondContact O-OG1 2.81Å
84G98.2Very high97.9Very high13 Ų1357.7 Ų57.713%0.13427%0.271CS..EExtended strand (participates in β ladder)trans85.7-14117400000114.1D80D80-G84 PolarHBondContact N-O 2.7Å; D80-G84 VanDerWaalsContact O-CA 3.24Å; D80-G84 WeakPolarHBondContact O-CA 3.21Å; D80-G84 PolarHBondContact O-N 2.91Å
85K98.6Very high97.8Very high95 Ų9558.1 Ų58.141%0.41327%0.273SS..EExtended strand (participates in β ladder)trans-64.4138.9-171.5-67.3178.6-71.6176.90111.9Y79 T118 C120 T121Y79-K85 HydrophobicContact CD2-CG 3.92Å; Y79-K85 HydrophobicContact CE2-CG 3.74Å; K85-T118 VanDerWaalsContact CE-O 3.31Å; K85-T118 WeakPolarHBondContact CE-O 3.24Å; K85-T118 PolarHBondContact NZ-O 2.94Å; K85-C120 CarbonylContact O-C 3.59Å; K85-C120 WeakPolarHBondContact O-CA 3.29Å; K85-T121 PolarHBondContact O-N 2.95Å; K85-T121 PolarHBondContact O-OG1 2.63Å
86Q98.5Very high97.5Very high15 Ų1562.8 Ų62.87%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-130.5148.3177.2-68.9-71.8-35.900109.4F77 T78 D80 T121 G122F77-Q86 WeakPolarHBondContact CA-O 3.38Å; T78-Q86 PolarHBondContact N-O 3.17Å; T78-Q86 PolarHBondContact O-N 3.3Å; T78-Q86 WeakPolarHBondContact OG1-CB 3.4Å; D80-Q86 HydrophobicContact CB-CG 4.09Å; Q86-T121 PolarHBondContact NE2-OG1 2.96Å; Q86-G122 VanDerWaalsContact NE2-N 3.19Å; Q86-G122 PolarHBondContact OE1-O 2.85Å
87L98.8Very high97.2Very high0 Ų067 Ų670%032%0.319CS..EExtended strand (participates in β ladder)trans-91.1133.9164.7-171.8149.5000107.6Y75 F77 L89 L114 A115 G122 M123 M124Y75-L87 HydrophobicContact CD2-CD1 3.97Å; Y75-L87 HydrophobicContact CD2-CD2 4.45Å; Y75-L87 HydrophobicContact CD2-CG 4.09Å; Y75-L87 HydrophobicContact CE2-CD1 4.39Å; Y75-L87 HydrophobicContact CG-CD2 4.49Å; F77-L87 HydrophobicContact CE1-CB 4.46Å; F77-L87 HydrophobicContact CE1-CD1 4.22Å; F77-L87 HydrophobicContact CE1-CG 4.43Å; L87-L89 HydrophobicContact CD2-CB 4.41Å; L87-L114 HydrophobicContact CD1-CD2 4.12Å; L87-L114 HydrophobicContact CD1-CG 4.45Å; L87-A115 HydrophobicContact CB-CB 4.4Å; L87-A115 HydrophobicContact CD1-CB 4.3Å; L87-G122 PolarHBondContact N-O 3.49Å; L87-G122 VanDerWaalsContact N-O 3.09Å; L87-M123 HydrophobicContact CB-CG 4.46Å; L87-M123 HydrophobicContact CD2-CG 3.64Å; L87-M123 HydrophobicContact CD2-SD 3.72Å; L87-M123 CarbonylContact O-C 3.57Å; L87-M123 WeakPolarHBondContact O-CA 3.43Å; L87-M124 PolarHBondContact O-N 3.37Å
88Y98.9Very high97Very high45 Ų4563.1 Ų63.118%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-111.5118.9172.9-163.7-79.5000109.1Y75 Y76 T78 E90 M124Y75-Y88 CarbonylContact C-O 3.54Å; Y75-Y88 WeakPolarHBondContact CA-O 3.4Å; Y75-Y88 WeakPolarHBondContact CB-O 3.37Å; Y76-Y88 HydrophobicContact CD2-CG 4.39Å; Y76-Y88 HydrophobicContact CE1-CD1 4.06Å; Y76-Y88 AromaticContact CE2-CD1 3.66Å; Y76-Y88 HydrophobicContact CE2-CD1 3.66Å; Y76-Y88 AromaticContact CE2-CG 3.66Å; Y76-Y88 HydrophobicContact CE2-CG 3.66Å; Y76-Y88 AromaticContact CZ-CD1 3.36Å; Y76-Y88 AromaticContact CZ-CE1 3.94Å; Y76-Y88 AromaticContact CZ-CG 3.88Å; Y76-Y88 PolarHBondContact N-O 2.83Å; Y76-Y88 PolarHBondContact O-N 2.95Å; Y76-Y88 WeakPolarHBondContact OH-CD1 3.42Å; Y76-Y88 VanDerWaalsContact OH-CE1 3.24Å; Y76-Y88 WeakPolarHBondContact OH-CE1 3.47Å; T78-Y88 HydrophobicContact CG2-CD2 4.22Å; T78-Y88 HydrophobicContact CG2-CG 4.25Å; Y88-E90 VanDerWaalsContact CE1-OE2 3.22Å; Y88-E90 WeakPolarHBondContact CE1-OE2 3.22Å; Y88-M124 CarbonylContact C-O 3.56Å; Y88-M124 WeakPolarHBondContact CA-O 3.5Å; Y88-M124 HydrophobicContact CD2-CB 3.66Å; Y88-M124 HydrophobicContact CE2-CB 4.01Å
89L98.8Very high96.7Very high3 Ų365.2 Ų65.22%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-90.8105.3175.5170.964.6000107.7A73 L87 E91 F92 L108 L111 M123 M124 F125A73-L89 HydrophobicContact CB-CD1 3.88Å; L87-L89 HydrophobicContact CD2-CB 4.41Å; L89-E91 WeakPolarHBondContact CD1-O 3.12Å; L89-F92 HydrophobicContact CD1-CB 4.21Å; L89-F92 HydrophobicContact CD2-CB 4.2Å; L89-F92 HydrophobicContact CG-CB 4.42Å; L89-L108 HydrophobicContact CD2-CD2 4.16Å; L89-L111 HydrophobicContact CD1-CD1 3.79Å; L89-L111 HydrophobicContact CD2-CD1 4.46Å; L89-M123 HydrophobicContact CB-CG 4.35Å; L89-M123 HydrophobicContact CB-SD 4.32Å; L89-M124 PolarHBondContact N-O 2.96Å; L89-F125 HydrophobicContact CB-CB 4.08Å; L89-F125 HydrophobicContact CG-CB 4.46Å; L89-F125 VanDerWaalsContact O-CB 3.3Å; L89-F125 WeakPolarHBondContact O-CB 3.33Å
90E97.8Very high96.4Very high76 Ų7661.1 Ų61.136%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-79.4-55.3-177-175.163.9-166.300111M74 Y76 Y88M74-E90 HydrophobicContact CB-CB 4.4Å; M74-E90 HydrophobicContact CG-CB 4.31Å; M74-E90 PolarHBondContact O-N 3.32Å; M74-E90 HydrophobicContact SD-CG 4.42Å; Y76-E90 HydrophobicContact CD1-CB 4.3Å; Y76-E90 HydrophobicContact CE1-CB 3.66Å; Y76-E90 HydrophobicContact CE1-CG 3.96Å; Y76-E90 VanDerWaalsContact CE1-OE2 3.29Å; Y76-E90 WeakPolarHBondContact CE1-OE2 3.19Å; Y76-E90 VanDerWaalsContact CZ-OE2 3.3Å; Y76-E90 PolarHBondContact OH-OE2 2.81Å; Y88-E90 VanDerWaalsContact CE1-OE2 3.22Å; Y88-E90 WeakPolarHBondContact CE1-OE2 3.22Å
91E95.8Very high96.2Very high53 Ų5362.3 Ų62.325%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-128.6144-178.7-64.5-65.1-175.900111L23 F72 A73 M74 L89L23-E91 WeakPolarHBondContact CD2-OE2 3.18Å; F72-E91 HydrophobicContact CE2-CB 3.78Å; F72-E91 HydrophobicContact CZ-CB 3.74Å; F72-E91 HydrophobicContact CZ-CG 4.41Å; A73-E91 CarbonylContact C-O 3.54Å; A73-E91 WeakPolarHBondContact CA-O 3.37Å; M74-E91 HydrophobicContact CB-CB 3.9Å; M74-E91 HydrophobicContact CB-CG 4.43Å; M74-E91 PolarHBondContact N-O 2.93Å; M74-E91 PolarHBondContact O-N 2.9Å; L89-E91 WeakPolarHBondContact CD1-O 3.12Å
92F97.2Very high96.1Very high36 Ų3658.4 Ų58.416%0.15830%0.301CS..EExtended strand (participates in β ladder)trans-148.4116.1176.2174.1-121.5000111.2A73 L89 V94 G104 I107 F137 Y138A73-F92 HydrophobicContact CB-CD2 4.24Å; L89-F92 HydrophobicContact CD1-CB 4.21Å; L89-F92 HydrophobicContact CD2-CB 4.2Å; L89-F92 HydrophobicContact CG-CB 4.42Å; F92-V94 HydrophobicContact CE2-CG2 4.47Å; F92-G104 VanDerWaalsContact CZ-CA 3.48Å; F92-I107 HydrophobicContact CD2-CG2 4.02Å; F92-I107 HydrophobicContact CE2-CB 3.92Å; F92-I107 HydrophobicContact CE2-CD1 3.93Å; F92-I107 HydrophobicContact CE2-CG2 3.76Å; F92-F137 HydrophobicContact CE1-CD1 4.43Å; F92-F137 AromaticContact CE1-CE1 3.72Å; F92-F137 HydrophobicContact CE1-CE1 3.72Å; F92-F137 HydrophobicContact CE1-CZ 4.22Å; F92-F137 HydrophobicContact CZ-CE1 4.14Å; F92-F137 HydrophobicContact CZ-CZ 4.24Å; F92-Y138 WeakPolarHBondContact CD1-OH 3.41Å
93Y96.9Very high96.2Very high18 Ų1849 Ų497%0.07127%0.266CS..EExtended strand (participates in β ladder)trans-146141.7-178.2-179.2-108000112.5L19 E22 L23 G71 F72 M95L19-Y93 HydrophobicContact CB-CD1 4.19Å; L19-Y93 HydrophobicContact CD2-CD1 3.9Å; L19-Y93 HydrophobicContact CD2-CE1 3.81Å; E22-Y93 HydrophobicContact CB-CE1 3.75Å; E22-Y93 WeakPolarHBondContact OE2-CE1 3.3Å; E22-Y93 PolarHBondContact OE2-OH 3.49Å; E22-Y93 VanDerWaalsContact OE2-OH 3.13Å; L23-Y93 HydrophobicContact CB-CD2 3.97Å; L23-Y93 HydrophobicContact CB-CG 4.02Å; L23-Y93 HydrophobicContact CD1-CD2 3.88Å; L23-Y93 HydrophobicContact CG-CD2 4.46Å; G71-Y93 CarbonylContact C-O 3.48Å; G71-Y93 WeakPolarHBondContact CA-O 3.11Å; F72-Y93 PolarHBondContact N-O 3.48Å; F72-Y93 PolarHBondContact O-N 2.84Å; Y93-M95 HydrophobicContact CE1-CG 4.24Å
94V96.9Very high96.2Very high13 Ų1345.9 Ų45.98%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-128.7129.5168.6179.80000106.8F92 D96 C98 R99 I103 I107F92-V94 HydrophobicContact CE2-CG2 4.47Å; V94-D96 PolarHBondContact O-N 3.02Å; V94-C98 HydrophobicContact CG1-CB 3.92Å; V94-R99 HydrophobicContact CB-CG 4.42Å; V94-R99 HydrophobicContact CG1-CG 4.36Å; V94-R99 PolarHBondContact O-NE 3.05Å; V94-I103 HydrophobicContact CG1-CB 4.24Å; V94-I103 HydrophobicContact CG1-CD1 4.31Å; V94-I103 HydrophobicContact CG1-CG2 4.22Å; V94-I103 HydrophobicContact CG2-CB 4.38Å; V94-I103 HydrophobicContact CG2-CG2 3.92Å; V94-I107 HydrophobicContact CG2-CD1 4.28Å
95M95.6Very high96.1Very high27 Ų2747.5 Ų47.513%0.13326%0.258CS..  trans-50.4139.5177.1-70.5-178.780.600110.5L19 V70 Y93 K97 C98 R99L19-M95 HydrophobicContact CD2-CG 3.7Å; L19-M95 HydrophobicContact CD2-SD 4.33Å; V70-M95 HydrophobicContact CB-SD 4.1Å; V70-M95 HydrophobicContact CG1-SD 4.15Å; V70-M95 WeakPolarHBondContact O-CB 3.43Å; V70-M95 VanDerWaalsContact O-CG 3.3Å; V70-M95 WeakPolarHBondContact O-CG 3.14Å; V70-M95 PolarHBondContact O-N 2.71Å; Y93-M95 HydrophobicContact CE1-CG 4.24Å; M95-K97 VanDerWaalsContact C-N 3.31Å; M95-K97 PolarHBondContact O-N 2.96Å; M95-C98 CarbonylContact O-C 3.54Å; M95-C98 WeakPolarHBondContact O-CA 3.45Å; M95-C98 WeakPolarHBondContact O-CB 3.25Å; M95-C98 PolarHBondContact O-N 2.85Å; M95-R99 PolarHBondContact O-N 2.85Å
96D92.5Very high96.1Very high111 Ų11143 Ų4359%0.59424%0.24SC*.G310 helixtrans-54.9-44.9-170.7-165.959.2000113.3V94 C98 R99V94-D96 PolarHBondContact O-N 3.02Å; D96-C98 PolarHBondContact O-N 3.21Å; D96-R99 WeakPolarHBondContact O-CB 3.32Å; D96-R99 PolarHBondContact O-N 3.21Å; D96-R99 VanDerWaalsContact O-N 3.08Å; D96-R99 IonicContact OD1-CZ 3.54Å; D96-R99 IonicContact OD1-NE 3.38Å; D96-R99 IonicContact OD1-NH1 2.77Å; D96-R99 PolarHBondContact OD1-NH1 2.86Å
97K92.7Very high96.1Very high158 Ų15842.3 Ų42.369%0.68724%0.236SC*.G310 helixtrans-61.2-16.2176.168.7177.8-175.6175.80114.9M95M95-K97 VanDerWaalsContact C-N 3.31Å; M95-K97 PolarHBondContact O-N 2.96Å
98C94Very high96.1Very high4 Ų442.9 Ų42.93%0.02724%0.239CC..G310 helixtrans-108.11.6-178.4-63.90000112.8V70 V94 M95 D96 L101 I103V70-C98 HydrophobicContact CB-CB 4.33Å; V70-C98 HydrophobicContact CG2-CB 4.46Å; V94-C98 HydrophobicContact CG1-CB 3.92Å; M95-C98 CarbonylContact O-C 3.54Å; M95-C98 WeakPolarHBondContact O-CA 3.45Å; M95-C98 WeakPolarHBondContact O-CB 3.25Å; M95-C98 PolarHBondContact O-N 2.85Å; D96-C98 PolarHBondContact O-N 3.21Å; C98-L101 HydrophobicContact CB-CD1 4.39Å; C98-L101 WeakPolarHBondContact O-CB 3.49Å; C98-L101 WeakPolarHBondContact O-CG 3.3Å; C98-I103 HydrophobicContact CB-CD1 3.87Å
99R93.2Very high96.1Very high93 Ų9349.2 Ų49.235%0.35126%0.263SS..THydrogen-bonded Turntrans-71.2156175.7-65.7176.7-177.8175.7-13.3111V94 M95 D96 L101V94-R99 HydrophobicContact CB-CG 4.42Å; V94-R99 HydrophobicContact CG1-CG 4.36Å; V94-R99 PolarHBondContact O-NE 3.05Å; M95-R99 PolarHBondContact O-N 2.85Å; D96-R99 WeakPolarHBondContact O-CB 3.32Å; D96-R99 PolarHBondContact O-N 3.21Å; D96-R99 VanDerWaalsContact O-N 3.08Å; D96-R99 IonicContact OD1-CZ 3.54Å; D96-R99 IonicContact OD1-NE 3.38Å; D96-R99 IonicContact OD1-NH1 2.77Å; D96-R99 PolarHBondContact OD1-NH1 2.86Å; R99-L101 PolarHBondContact O-N 2.85Å
100G92.1Very high96Very high87 Ų8752.3 Ų52.390%0.89728%0.277SS*.THydrogen-bonded Turntrans75.7-7.9-175.600000115.1G102G100-G102 VanDerWaalsContact C-N 3.29Å; G100-G102 PolarHBondContact O-N 3.02Å
101L93.6Very high96.1Very high71 Ų7148.7 Ų48.737%0.37226%0.26SS..SBendtrans-86.36.3-179.6-56179.8000114.2M1 C98 R99 I103M1-L101 HydrophobicContact CB-CD1 3.93Å; M1-L101 HydrophobicContact CG-CD1 4.37Å; M1-L101 HydrophobicContact SD-CD1 3.49Å; M1-L101 WeakPolarHBondContact SD-CD1 3.23Å; C98-L101 HydrophobicContact CB-CD1 4.39Å; C98-L101 WeakPolarHBondContact O-CB 3.49Å; C98-L101 WeakPolarHBondContact O-CG 3.3Å; R99-L101 PolarHBondContact O-N 2.85Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 HydrophobicContact CB-CG1 4.46Å; L101-I103 PolarHBondContact O-N 2.87Å
102G95.9Very high96.2Very high31 Ų3149 Ų4932%0.3227%0.268SS..SBendtrans80.80.318000000115.5Y3 G100 G104 S105 G106Y3-G102 PolarHBondContact OH-O 2.87Å; G100-G102 VanDerWaalsContact C-N 3.29Å; G100-G102 PolarHBondContact O-N 3.02Å; G102-G104 PolarHBondContact O-N 2.9Å; G102-S105 WeakPolarHBondContact O-CB 3.49Å; G102-S105 PolarHBondContact O-N 2.79Å; G102-G106 PolarHBondContact O-N 3.3Å
103I97.3Very high96.3Very high2 Ų250.9 Ų50.91%0.0128%0.28CS..Hα-helixtrans-56.4-50.3178.7-64171.6000111.1Y3 A56 V70 V94 C98 L101 S105 G106 I107Y3-I103 HydrophobicContact CD1-CG1 3.71Å; Y3-I103 HydrophobicContact CD2-CG1 4.17Å; Y3-I103 HydrophobicContact CE1-CG1 4.07Å; Y3-I103 HydrophobicContact CG-CG1 3.78Å; A56-I103 HydrophobicContact CB-CG2 3.48Å; A56-I103 VanDerWaalsContact CB-CG2 3.48Å; V70-I103 HydrophobicContact CG2-CD1 3.93Å; V94-I103 HydrophobicContact CG1-CB 4.24Å; V94-I103 HydrophobicContact CG1-CD1 4.31Å; V94-I103 HydrophobicContact CG1-CG2 4.22Å; V94-I103 HydrophobicContact CG2-CB 4.38Å; V94-I103 HydrophobicContact CG2-CG2 3.92Å; C98-I103 HydrophobicContact CB-CD1 3.87Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 HydrophobicContact CB-CG1 4.46Å; L101-I103 PolarHBondContact O-N 2.87Å; I103-S105 VanDerWaalsContact C-N 3.32Å; I103-S105 PolarHBondContact O-N 2.74Å; I103-G106 CarbonylContact O-C 3.6Å; I103-G106 WeakPolarHBondContact O-CA 3.32Å; I103-G106 PolarHBondContact O-N 3.13Å; I103-I107 HydrophobicContact CG2-CD1 3.98Å; I103-I107 HydrophobicContact CG2-CG1 4.47Å; I103-I107 PolarHBondContact O-N 3.39Å
104G96.9Very high96.3Very high12 Ų1251.6 Ų51.612%0.12429%0.285CS..Hα-helixtrans-60.1-40.1179.500000113.4F92 G102 G106 I107 L108F92-G104 VanDerWaalsContact CZ-CA 3.48Å; G102-G104 PolarHBondContact O-N 2.9Å; G104-G106 VanDerWaalsContact C-N 3.31Å; G104-G106 PolarHBondContact O-N 3.26Å; G104-I107 PolarHBondContact O-N 3.5Å; G104-L108 PolarHBondContact O-N 3.4Å
105S97.2Very high96.4Very high47 Ų4751.2 Ų51.233%0.32928%0.283SS..Hα-helixtrans-63.3-38.3172.1-59.30000112G102 I103 R109 R141G102-S105 WeakPolarHBondContact O-CB 3.49Å; G102-S105 PolarHBondContact O-N 2.79Å; I103-S105 VanDerWaalsContact C-N 3.32Å; I103-S105 PolarHBondContact O-N 2.74Å; S105-R109 WeakPolarHBondContact O-CB 3.26Å; S105-R109 PolarHBondContact O-N 2.87Å; S105-R141 PolarHBondContact OG-NH2 2.87Å
106G98Very high96.6Very high2 Ų256 Ų562%0.02131%0.306CS..Hα-helixtrans-62.8-45.4175.900000112.2L5 G102 I103 G104 R109 H110L5-G106 VanDerWaalsContact CD1-O 3.26Å; L5-G106 WeakPolarHBondContact CD1-O 3.4Å; G102-G106 PolarHBondContact O-N 3.3Å; I103-G106 CarbonylContact O-C 3.6Å; I103-G106 WeakPolarHBondContact O-CA 3.32Å; I103-G106 PolarHBondContact O-N 3.13Å; G104-G106 VanDerWaalsContact C-N 3.31Å; G104-G106 PolarHBondContact O-N 3.26Å; G106-R109 PolarHBondContact O-N 3.01Å; G106-H110 PolarHBondContact O-N 2.84Å
107I98.4Very high96.8Very high0 Ų057.6 Ų57.60%031%0.308CS..Hα-helixtrans-60.3-51.5176.7-69.4169.9000110.1L5 A56 A73 F92 V94 I103 G104 R109 H110 L111L5-I107 HydrophobicContact CD1-CG1 4.36Å; L5-I107 HydrophobicContact CD2-CG1 3.72Å; A56-I107 HydrophobicContact CB-CD1 4.27Å; A73-I107 HydrophobicContact CB-CG2 3.53Å; F92-I107 HydrophobicContact CD2-CG2 4.02Å; F92-I107 HydrophobicContact CE2-CB 3.92Å; F92-I107 HydrophobicContact CE2-CD1 3.93Å; F92-I107 HydrophobicContact CE2-CG2 3.76Å; V94-I107 HydrophobicContact CG2-CD1 4.28Å; I103-I107 HydrophobicContact CG2-CD1 3.98Å; I103-I107 HydrophobicContact CG2-CG1 4.47Å; I103-I107 PolarHBondContact O-N 3.39Å; G104-I107 PolarHBondContact O-N 3.5Å; I107-R109 VanDerWaalsContact C-N 3.31Å; I107-R109 PolarHBondContact O-N 3.03Å; I107-H110 WeakPolarHBondContact O-CB 3.48Å; I107-H110 PolarHBondContact O-N 3.3Å; I107-L111 HydrophobicContact CG2-CD1 4.17Å; I107-L111 PolarHBondContact O-N 3.24Å
108L98.4Very high97.1Very high12 Ų1251.9 Ų51.96%0.06329%0.287CS..Hα-helixtrans-58.4-43177.7-78.2-169.8000112.2L89 G104 H110 L111 S112 M123 F137 Y138L89-L108 HydrophobicContact CD2-CD2 4.16Å; G104-L108 PolarHBondContact O-N 3.4Å; L108-H110 VanDerWaalsContact C-N 3.29Å; L108-H110 PolarHBondContact O-N 3.15Å; L108-L111 PolarHBondContact O-N 3.3Å; L108-S112 PolarHBondContact O-N 3.21Å; L108-S112 PolarHBondContact O-OG 2.99Å; L108-M123 HydrophobicContact CD2-CE 3.87Å; L108-F137 HydrophobicContact CD1-CD1 4.3Å; L108-F137 HydrophobicContact CD1-CE1 3.33Å; L108-F137 HydrophobicContact CD1-CZ 3.69Å; L108-F137 HydrophobicContact CG-CE1 4.1Å; L108-F137 HydrophobicContact CG-CZ 4.31Å; L108-Y138 HydrophobicContact CD1-CD1 4.27Å; L108-Y138 HydrophobicContact CD1-CE1 4.24Å; L108-Y138 HydrophobicContact CD2-CE1 4.43Å
109R98.3Very high97.3Very high178 Ų17861.3 Ų61.367%0.67232%0.322SS*.Hα-helixtrans-60-40.2175.7179.7179.960.7174-1.9112.1S105 G106 I107 S112 D113S105-R109 WeakPolarHBondContact O-CB 3.26Å; S105-R109 PolarHBondContact O-N 2.87Å; G106-R109 PolarHBondContact O-N 3.01Å; I107-R109 VanDerWaalsContact C-N 3.31Å; I107-R109 PolarHBondContact O-N 3.03Å; R109-S112 PolarHBondContact O-N 3.04Å; R109-D113 PolarHBondContact O-N 3.34Å
110H98.4Very high97.6Very high67 Ų6757.1 Ų57.131%0.3131%0.307SS..Hα-helixtrans-63.5-45.4176-174.897000111.4L5 I54 G106 I107 L108 S112 D113 L114L5-H110 HydrophobicContact CD1-CB 4.24Å; I54-H110 VanDerWaalsContact CD1-NE2 3.33Å; I54-H110 WeakPolarHBondContact CD1-NE2 3.49Å; G106-H110 PolarHBondContact O-N 2.84Å; I107-H110 WeakPolarHBondContact O-CB 3.48Å; I107-H110 PolarHBondContact O-N 3.3Å; L108-H110 VanDerWaalsContact C-N 3.29Å; L108-H110 PolarHBondContact O-N 3.15Å; H110-S112 VanDerWaalsContact C-N 3.34Å; H110-S112 PolarHBondContact O-N 2.7Å; H110-D113 PolarHBondContact O-N 3.23Å; H110-L114 PolarHBondContact O-N 3.16Å
111L98.6Very high97.8Very high0 Ų057.1 Ų57.10%029%0.289CS..Hα-helixtrans-64.9-36.8176.6-66.2175.7000112.2I54 A73 Y75 L89 I107 L108 L114 A115 M123I54-L111 HydrophobicContact CG1-CD2 4.17Å; A73-L111 HydrophobicContact CB-CD1 4.02Å; Y75-L111 HydrophobicContact CD1-CD2 3.67Å; Y75-L111 HydrophobicContact CE1-CD2 3.99Å; Y75-L111 HydrophobicContact CG-CD2 4.04Å; L89-L111 HydrophobicContact CD1-CD1 3.79Å; L89-L111 HydrophobicContact CD2-CD1 4.46Å; I107-L111 HydrophobicContact CG2-CD1 4.17Å; I107-L111 PolarHBondContact O-N 3.24Å; L108-L111 PolarHBondContact O-N 3.3Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.08Å; L111-A115 WeakPolarHBondContact O-CB 3.38Å; L111-A115 PolarHBondContact O-N 3.06Å; L111-M123 HydrophobicContact CB-SD 4.28Å
112S98.6Very high98Very high60 Ų6054.9 Ų54.942%0.4228%0.284SS..Hα-helixtrans-63.4-46.2174.2-560000112L108 R109 H110 L114 A115 M116L108-S112 PolarHBondContact O-N 3.21Å; L108-S112 PolarHBondContact O-OG 2.99Å; R109-S112 PolarHBondContact O-N 3.04Å; H110-S112 VanDerWaalsContact C-N 3.34Å; H110-S112 PolarHBondContact O-N 2.7Å; S112-L114 VanDerWaalsContact C-N 3.31Å; S112-L114 PolarHBondContact O-N 2.98Å; S112-A115 PolarHBondContact O-N 3.39Å; S112-M116 WeakPolarHBondContact O-CG 3.37Å; S112-M116 PolarHBondContact O-N 2.58Å
113D98.4Very high98.1Very high75 Ų7555.9 Ų55.940%0.40128%0.281SS..Hα-helixtrans-61.2-41.1175.5177.154.4000111.4R109 H110 M116 K117R109-D113 PolarHBondContact O-N 3.34Å; H110-D113 PolarHBondContact O-N 3.23Å; D113-M116 PolarHBondContact O-N 2.93Å; D113-K117 WeakPolarHBondContact O-CB 3.48Å; D113-K117 WeakPolarHBondContact O-CG 3.3Å; D113-K117 PolarHBondContact O-N 2.89Å; D113-K117 WeakPolarHBondContact OD1-CE 3.19Å; D113-K117 IonicContact OD1-NZ 3.61Å; D113-K117 VanDerWaalsContact OD2-CE 3.23Å; D113-K117 WeakPolarHBondContact OD2-CE 3.22Å; D113-K117 IonicContact OD2-NZ 2.64Å; D113-K117 PolarHBondContact OD2-NZ 3.44Å
114L98.3Very high98.2Very high34 Ų3459.3 Ų59.318%0.17830%0.297CS..Hα-helixtrans-60.7-48.8173.6178.965.4000111.9Y75 F77 L87 H110 L111 S112 M116 K117 T118Y75-L114 HydrophobicContact CD2-CD2 4.28Å; Y75-L114 HydrophobicContact CE1-CD2 4.21Å; Y75-L114 HydrophobicContact CE2-CD2 3.36Å; Y75-L114 WeakPolarHBondContact OH-CD2 3.4Å; F77-L114 HydrophobicContact CZ-CD2 4.38Å; F77-L114 HydrophobicContact CZ-CG 4.46Å; L87-L114 HydrophobicContact CD1-CD2 4.12Å; L87-L114 HydrophobicContact CD1-CG 4.45Å; H110-L114 PolarHBondContact O-N 3.16Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.08Å; S112-L114 VanDerWaalsContact C-N 3.31Å; S112-L114 PolarHBondContact O-N 2.98Å; L114-M116 VanDerWaalsContact C-N 3.27Å; L114-M116 PolarHBondContact O-N 3.35Å; L114-K117 PolarHBondContact O-N 3.18Å; L114-K117 VanDerWaalsContact O-N 3.16Å; L114-T118 HydrophobicContact CD1-CG2 4Å; L114-T118 HydrophobicContact CG-CG2 4.47Å; L114-T118 WeakPolarHBondContact O-CG2 3.15Å; L114-T118 PolarHBondContact O-N 2.94Å; L114-T118 PolarHBondContact O-OG1 3.24Å
115A98.5Very high98.3Very high4 Ų461.2 Ų61.23%0.03330%0.302CS..Hα-helixtrans-57-41.5177.700000111.4L87 L111 S112 T118 R119 C120L87-A115 HydrophobicContact CB-CB 4.4Å; L87-A115 HydrophobicContact CD1-CB 4.3Å; L111-A115 WeakPolarHBondContact O-CB 3.38Å; L111-A115 PolarHBondContact O-N 3.06Å; S112-A115 PolarHBondContact O-N 3.39Å; A115-T118 PolarHBondContact O-N 3.1Å; A115-T118 PolarHBondContact O-OG1 2.73Å; A115-R119 PolarHBondContact O-N 2.89Å; A115-C120 HydrophobicContact CB-CB 4.04Å; A115-C120 PolarHBondContact O-N 3.39Å
116M98.4Very high98.2Very high127 Ų12763.4 Ų63.463%0.62631%0.314SS*.Hα-helixtrans-66-44.7175.7-65.9-57.895.400112.1S112 D113 L114 T118 R119S112-M116 WeakPolarHBondContact O-CG 3.37Å; S112-M116 PolarHBondContact O-N 2.58Å; D113-M116 PolarHBondContact O-N 2.93Å; L114-M116 VanDerWaalsContact C-N 3.27Å; L114-M116 PolarHBondContact O-N 3.35Å; M116-T118 VanDerWaalsContact C-N 3.3Å; M116-T118 PolarHBondContact O-N 3.13Å; M116-R119 PolarHBondContact O-N 3.37Å
117K98.4Very high98.1Very high145 Ų14565.7 Ų65.763%0.6333%0.327SS*.Hα-helixtrans-62.2-37.2177.5-75.9169.7176.5168.70112.5D113 L114 R119D113-K117 WeakPolarHBondContact O-CB 3.48Å; D113-K117 WeakPolarHBondContact O-CG 3.3Å; D113-K117 PolarHBondContact O-N 2.89Å; D113-K117 WeakPolarHBondContact OD1-CE 3.19Å; D113-K117 IonicContact OD1-NZ 3.61Å; D113-K117 VanDerWaalsContact OD2-CE 3.23Å; D113-K117 WeakPolarHBondContact OD2-CE 3.22Å; D113-K117 IonicContact OD2-NZ 2.64Å; D113-K117 PolarHBondContact OD2-NZ 3.44Å; L114-K117 PolarHBondContact O-N 3.18Å; L114-K117 VanDerWaalsContact O-N 3.16Å; K117-R119 VanDerWaalsContact C-N 3.27Å
118T97.9Very high97.8Very high39 Ų3967.6 Ų67.624%0.23934%0.343CS..THydrogen-bonded Turntrans-85.40.717760.10000113.1F77 K85 L114 A115 M116 C120F77-T118 HydrophobicContact CE1-CG2 4.09Å; F77-T118 HydrophobicContact CZ-CG2 3.79Å; K85-T118 VanDerWaalsContact CE-O 3.31Å; K85-T118 WeakPolarHBondContact CE-O 3.24Å; K85-T118 PolarHBondContact NZ-O 2.94Å; L114-T118 HydrophobicContact CD1-CG2 4Å; L114-T118 HydrophobicContact CG-CG2 4.47Å; L114-T118 WeakPolarHBondContact O-CG2 3.15Å; L114-T118 PolarHBondContact O-N 2.94Å; L114-T118 PolarHBondContact O-OG1 3.24Å; A115-T118 PolarHBondContact O-N 3.1Å; A115-T118 PolarHBondContact O-OG1 2.73Å; M116-T118 VanDerWaalsContact C-N 3.3Å; M116-T118 PolarHBondContact O-N 3.13Å; T118-C120 VanDerWaalsContact C-N 3.28Å; T118-C120 PolarHBondContact O-N 2.76Å; T118-C120 PolarHBondContact OG1-SG 2.77Å
119R98.3Very high97.4Very high201 Ų20176.5 Ų76.576%0.75838%0.384SS*.THydrogen-bonded Turntrans57.240.2-178.5-48.9179.3-176.4179.1-0.9112.2A115 M116 K117A115-R119 PolarHBondContact O-N 2.89Å; M116-R119 PolarHBondContact O-N 3.37Å; K117-R119 VanDerWaalsContact C-N 3.27Å
120C98.7Very high97Very high6 Ų675.1 Ų75.14%0.04139%0.39CS..  trans-71.8143.3166.6-63.40000109.4K85 A115 T118K85-C120 CarbonylContact O-C 3.59Å; K85-C120 WeakPolarHBondContact O-CA 3.29Å; A115-C120 HydrophobicContact CB-CB 4.04Å; A115-C120 PolarHBondContact O-N 3.39Å; T118-C120 VanDerWaalsContact C-N 3.28Å; T118-C120 PolarHBondContact O-N 2.76Å; T118-C120 PolarHBondContact OG1-SG 2.77Å
121T97.8Very high96.7Very high86 Ų8672.7 Ų72.753%0.52838%0.379SS..SBendtrans-89.2-11.6178.243.50000112.8V83 K85 Q86V83-T121 WeakPolarHBondContact CG2-OG1 2.91Å; V83-T121 WeakPolarHBondContact O-CG2 3.18Å; V83-T121 PolarHBondContact O-OG1 2.81Å; K85-T121 PolarHBondContact O-N 2.95Å; K85-T121 PolarHBondContact O-OG1 2.63Å; Q86-T121 PolarHBondContact NE2-OG1 2.96Å
122G97.6Very high96.4Very high25 Ų2577.5 Ų77.526%0.25840%0.402SS..  trans-168-176.5175.300000113Q86 L87Q86-G122 VanDerWaalsContact NE2-N 3.19Å; Q86-G122 PolarHBondContact OE1-O 2.85Å; L87-G122 PolarHBondContact N-O 3.49Å; L87-G122 VanDerWaalsContact N-O 3.09Å
123M98.6Very high96.1Very high52 Ų5278.6 Ų78.626%0.25641%0.408SS..EExtended strand (participates in β ladder)trans-133.1123.4173.9178.9172.772.200109.5L87 L89 L108 L111 F125L87-M123 HydrophobicContact CB-CG 4.46Å; L87-M123 HydrophobicContact CD2-CG 3.64Å; L87-M123 HydrophobicContact CD2-SD 3.72Å; L87-M123 CarbonylContact O-C 3.57Å; L87-M123 WeakPolarHBondContact O-CA 3.43Å; L89-M123 HydrophobicContact CB-CG 4.35Å; L89-M123 HydrophobicContact CB-SD 4.32Å; L108-M123 HydrophobicContact CD2-CE 3.87Å; L111-M123 HydrophobicContact CB-SD 4.28Å; M123-F125 HydrophobicContact CE-CD1 4.5Å; M123-F125 HydrophobicContact CE-CE1 4.28Å; M123-F125 HydrophobicContact CG-CD1 4.42Å
124M98.3Very high95.9Very high73 Ų7376.5 Ų76.536%0.3640%0.399SS..EExtended strand (participates in β ladder)trans-107.7147.1-176.8-58.5-66.6-72.500110.1L87 Y88 L89 L146L87-M124 PolarHBondContact O-N 3.37Å; Y88-M124 CarbonylContact C-O 3.56Å; Y88-M124 WeakPolarHBondContact CA-O 3.5Å; Y88-M124 HydrophobicContact CD2-CB 3.66Å; Y88-M124 HydrophobicContact CE2-CB 4.01Å; L89-M124 PolarHBondContact N-O 2.96Å; M124-L146 HydrophobicContact CE-CD1 3.38Å; M124-L146 HydrophobicContact SD-CD1 3.96Å
125F98.4Very high95.8Very high52 Ų5276.3 Ų76.323%0.22840%0.399CS..  trans-164.4165.5175.550.5-86.8000110L89 M123 V127 Y138 A143L89-F125 HydrophobicContact CB-CB 4.08Å; L89-F125 HydrophobicContact CG-CB 4.46Å; L89-F125 VanDerWaalsContact O-CB 3.3Å; L89-F125 WeakPolarHBondContact O-CB 3.33Å; M123-F125 HydrophobicContact CE-CD1 4.5Å; M123-F125 HydrophobicContact CE-CE1 4.28Å; M123-F125 HydrophobicContact CG-CD1 4.42Å; F125-V127 HydrophobicContact CD2-CG2 3.66Å; F125-V127 HydrophobicContact CE2-CG2 3.67Å; F125-Y138 HydrophobicContact CD2-CD2 4.29Å; F125-Y138 HydrophobicContact CD2-CE2 4.11Å; F125-Y138 HydrophobicContact CE1-CD1 4.48Å; F125-Y138 AromaticContact CE2-CD1 3.9Å; F125-Y138 HydrophobicContact CE2-CD1 3.9Å; F125-Y138 AromaticContact CE2-CD2 3.48Å; F125-Y138 HydrophobicContact CE2-CD2 3.48Å; F125-Y138 VanDerWaalsContact CE2-CD2 3.48Å; F125-Y138 HydrophobicContact CE2-CE1 4.15Å; F125-Y138 AromaticContact CE2-CE2 3.74Å; F125-Y138 HydrophobicContact CE2-CE2 3.74Å; F125-Y138 AromaticContact CE2-CG 3.56Å; F125-Y138 HydrophobicContact CE2-CG 3.56Å; F125-Y138 AromaticContact CZ-CD1 3.73Å; F125-Y138 HydrophobicContact CZ-CD1 3.73Å; F125-Y138 HydrophobicContact CZ-CD2 4.1Å; F125-Y138 HydrophobicContact CZ-CE1 4.22Å; F125-Y138 AromaticContact CZ-CG 3.67Å; F125-Y138 HydrophobicContact CZ-CG 3.67Å; F125-A143 HydrophobicContact CZ-CB 3.93Å
126V97Very high95.7Very high93 Ų9379.5 Ų79.556%0.56441%0.413SS*.  trans-106.4152.2171.6-66.20000110.3
127V95.1Very high95.5Very high51 Ų5175.2 Ų75.231%0.30939%0.391SS..  trans-134.5133.3175.1-1720000107.8F125 N131 V135 Y138F125-V127 HydrophobicContact CD2-CG2 3.66Å; F125-V127 HydrophobicContact CE2-CG2 3.67Å; V127-N131 HydrophobicContact CG1-CB 4.21Å; V127-V135 HydrophobicContact CB-CG2 4.48Å; V127-V135 HydrophobicContact CG1-CG2 3.7Å; V127-Y138 HydrophobicContact CG2-CD2 3.75Å; V127-Y138 HydrophobicContact CG2-CE2 3.73Å
128A92.3Very high95.5Very high40 Ų4069.4 Ų69.433%0.33137%0.365SS..  trans-61138.7174.300000111N130 N131A128-N130 PolarHBondContact O-N 2.87Å; A128-N130 VanDerWaalsContact O-N 3.14Å; A128-N131 HydrophobicContact CB-CB 4.08Å; A128-N131 WeakPolarHBondContact O-CB 3.49Å; A128-N131 PolarHBondContact O-N 3.29Å
129E90.6Very high95.5Very high198 Ų19871.8 Ų71.893%0.92537%0.373SS*.THydrogen-bonded Turntrans-57.5-32.7-175.4-68.7-172.5165.500113.1
130N89.5Confident95.4Very high149 Ų14970.3 Ų70.380%0.79737%0.367SS*.THydrogen-bonded Turntrans-89.51.7-179.664.2-6.5000114A128 E132A128-N130 PolarHBondContact O-N 2.87Å; A128-N130 VanDerWaalsContact O-N 3.14Å; N130-E132 VanDerWaalsContact C-N 3.31Å; N130-E132 PolarHBondContact O-N 3.21Å; N130-E132 VanDerWaalsContact O-N 3.16Å
131N90.6Very high95.4Very high16 Ų1675.4 Ų75.49%0.08639%0.385CS..  trans-91.958.4-177.5-167-14.3000111.8V127 A128 P133 S134 V135V127-N131 HydrophobicContact CG1-CB 4.21Å; A128-N131 HydrophobicContact CB-CB 4.08Å; A128-N131 WeakPolarHBondContact O-CB 3.49Å; A128-N131 PolarHBondContact O-N 3.29Å; N131-P133 VanDerWaalsContact C-N 3.3Å; N131-S134 VanDerWaalsContact CG-CB 3.48Å; N131-S134 PolarHBondContact ND2-OG 3.49Å; N131-S134 VanDerWaalsContact ND2-OG 3.1Å; N131-S134 PolarHBondContact O-N 2.98Å; N131-S134 WeakPolarHBondContact OD1-CB 3.47Å; N131-S134 PolarHBondContact OD1-N 2.93Å; N131-S134 PolarHBondContact OD1-OG 3.04Å; N131-V135 WeakPolarHBondContact O-CG2 3.42Å; N131-V135 PolarHBondContact O-N 2.98Å
132E93.2Very high95.4Very high101 Ų10174.3 Ų74.347%0.47239%0.391SS..Hα-helixtrans-51.2-39.9179.4-172.160.9-156.200113.6N130 S134 V135 Q136N130-E132 VanDerWaalsContact C-N 3.31Å; N130-E132 PolarHBondContact O-N 3.21Å; N130-E132 VanDerWaalsContact O-N 3.16Å; E132-S134 VanDerWaalsContact C-N 3.31Å; E132-S134 PolarHBondContact O-N 3.33Å; E132-V135 PolarHBondContact O-N 3.14Å; E132-Q136 HydrophobicContact CG-CG 4.25Å; E132-Q136 WeakPolarHBondContact O-CB 3.29Å; E132-Q136 VanDerWaalsContact O-CG 3.29Å; E132-Q136 WeakPolarHBondContact O-CG 3.36Å; E132-Q136 PolarHBondContact O-N 2.96Å; E132-Q136 WeakPolarHBondContact OE1-CG 3.35Å; E132-Q136 PolarHBondContact OE1-NE2 3.39Å
133P92.3Very high95.4Very high84 Ų8474.7 Ų74.755%0.54539%0.392SS..Hα-helixtrans-57.5-41.8175.4-25.636.2000113.2N131 F137N131-P133 VanDerWaalsContact C-N 3.3Å; P133-F137 VanDerWaalsContact O-CB 3.27Å; P133-F137 WeakPolarHBondContact O-CB 3.47Å; P133-F137 PolarHBondContact O-N 2.9Å
134S93.8Very high95.4Very high30 Ų3078.8 Ų78.821%0.2141%0.41CS..Hα-helixtrans-74.5-43.6179.2-58.80000111.5N131 E132 Q136 F137 Y138N131-S134 VanDerWaalsContact CG-CB 3.48Å; N131-S134 PolarHBondContact ND2-OG 3.49Å; N131-S134 VanDerWaalsContact ND2-OG 3.1Å; N131-S134 PolarHBondContact O-N 2.98Å; N131-S134 WeakPolarHBondContact OD1-CB 3.47Å; N131-S134 PolarHBondContact OD1-N 2.93Å; N131-S134 PolarHBondContact OD1-OG 3.04Å; E132-S134 VanDerWaalsContact C-N 3.31Å; E132-S134 PolarHBondContact O-N 3.33Å; S134-Q136 VanDerWaalsContact C-N 3.28Å; S134-Q136 PolarHBondContact O-N 3.31Å; S134-F137 WeakPolarHBondContact O-CA 3.23Å; S134-F137 WeakPolarHBondContact O-CB 3.28Å; S134-F137 PolarHBondContact O-N 3.05Å; S134-Y138 WeakPolarHBondContact O-CD2 3.16Å; S134-Y138 PolarHBondContact O-N 3.45Å
135V96.1Very high95.4Very high30 Ų3077.4 Ų77.418%0.18241%0.405CS..Hα-helixtrans-52.1-50.2174.3172.90000110.4V127 N131 E132 F137 Y138 K139V127-V135 HydrophobicContact CB-CG2 4.48Å; V127-V135 HydrophobicContact CG1-CG2 3.7Å; N131-V135 WeakPolarHBondContact O-CG2 3.42Å; N131-V135 PolarHBondContact O-N 2.98Å; E132-V135 PolarHBondContact O-N 3.14Å; V135-F137 PolarHBondContact O-N 3.2Å; V135-Y138 PolarHBondContact O-N 2.91Å; V135-K139 HydrophobicContact CG1-CD 4.01Å; V135-K139 HydrophobicContact CG1-CG 4.4Å; V135-K139 WeakPolarHBondContact O-CB 3.27Å; V135-K139 WeakPolarHBondContact O-CG 3.37Å; V135-K139 PolarHBondContact O-N 2.84Å
136Q96.3Very high95.3Very high72 Ų7277.2 Ų77.234%0.33641%0.406SS..Hα-helixtrans-69-33.5179.3-66.9-61.6-30.100112.9E132 S134 R140E132-Q136 HydrophobicContact CG-CG 4.25Å; E132-Q136 WeakPolarHBondContact O-CB 3.29Å; E132-Q136 VanDerWaalsContact O-CG 3.29Å; E132-Q136 WeakPolarHBondContact O-CG 3.36Å; E132-Q136 PolarHBondContact O-N 2.96Å; E132-Q136 WeakPolarHBondContact OE1-CG 3.35Å; E132-Q136 PolarHBondContact OE1-NE2 3.39Å; S134-Q136 VanDerWaalsContact C-N 3.28Å; S134-Q136 PolarHBondContact O-N 3.31Å; Q136-R140 WeakPolarHBondContact O-CB 3.39Å; Q136-R140 VanDerWaalsContact O-CG 3.31Å; Q136-R140 WeakPolarHBondContact O-CG 3.33Å; Q136-R140 VanDerWaalsContact O-CZ 3.3Å; Q136-R140 PolarHBondContact O-N 3.06Å; Q136-R140 PolarHBondContact O-NH1 3.48Å
137F95.4Very high95.4Very high37 Ų3775.8 Ų75.816%0.16240%0.399CS..Hα-helixtrans-62-43.3173.6173.3-96.4000111.7F92 L108 P133 S134 V135 R141F92-F137 HydrophobicContact CE1-CD1 4.43Å; F92-F137 AromaticContact CE1-CE1 3.72Å; F92-F137 HydrophobicContact CE1-CE1 3.72Å; F92-F137 HydrophobicContact CE1-CZ 4.22Å; F92-F137 HydrophobicContact CZ-CE1 4.14Å; F92-F137 HydrophobicContact CZ-CZ 4.24Å; L108-F137 HydrophobicContact CD1-CD1 4.3Å; L108-F137 HydrophobicContact CD1-CE1 3.33Å; L108-F137 HydrophobicContact CD1-CZ 3.69Å; L108-F137 HydrophobicContact CG-CE1 4.1Å; L108-F137 HydrophobicContact CG-CZ 4.31Å; P133-F137 VanDerWaalsContact O-CB 3.27Å; P133-F137 WeakPolarHBondContact O-CB 3.47Å; P133-F137 PolarHBondContact O-N 2.9Å; S134-F137 WeakPolarHBondContact O-CA 3.23Å; S134-F137 WeakPolarHBondContact O-CB 3.28Å; S134-F137 PolarHBondContact O-N 3.05Å; V135-F137 PolarHBondContact O-N 3.2Å; F137-R141 PolarHBondContact O-NH1 3.31Å
138Y98.1Very high95.4Very high22 Ų2280.4 Ų80.49%0.08642%0.418CS..Hα-helixtrans-75.4-45.5178.7-62.8-57000112.7F92 L108 F125 V127 S134 V135 R140 R141 G142 A143F92-Y138 WeakPolarHBondContact CD1-OH 3.41Å; L108-Y138 HydrophobicContact CD1-CD1 4.27Å; L108-Y138 HydrophobicContact CD1-CE1 4.24Å; L108-Y138 HydrophobicContact CD2-CE1 4.43Å; F125-Y138 HydrophobicContact CD2-CD2 4.29Å; F125-Y138 HydrophobicContact CD2-CE2 4.11Å; F125-Y138 HydrophobicContact CE1-CD1 4.48Å; F125-Y138 AromaticContact CE2-CD1 3.9Å; F125-Y138 HydrophobicContact CE2-CD1 3.9Å; F125-Y138 AromaticContact CE2-CD2 3.48Å; F125-Y138 HydrophobicContact CE2-CD2 3.48Å; F125-Y138 VanDerWaalsContact CE2-CD2 3.48Å; F125-Y138 HydrophobicContact CE2-CE1 4.15Å; F125-Y138 AromaticContact CE2-CE2 3.74Å; F125-Y138 HydrophobicContact CE2-CE2 3.74Å; F125-Y138 AromaticContact CE2-CG 3.56Å; F125-Y138 HydrophobicContact CE2-CG 3.56Å; F125-Y138 AromaticContact CZ-CD1 3.73Å; F125-Y138 HydrophobicContact CZ-CD1 3.73Å; F125-Y138 HydrophobicContact CZ-CD2 4.1Å; F125-Y138 HydrophobicContact CZ-CE1 4.22Å; F125-Y138 AromaticContact CZ-CG 3.67Å; F125-Y138 HydrophobicContact CZ-CG 3.67Å; V127-Y138 HydrophobicContact CG2-CD2 3.75Å; V127-Y138 HydrophobicContact CG2-CE2 3.73Å; S134-Y138 WeakPolarHBondContact O-CD2 3.16Å; S134-Y138 PolarHBondContact O-N 3.45Å; V135-Y138 PolarHBondContact O-N 2.91Å; Y138-R140 VanDerWaalsContact C-N 3.34Å; Y138-R140 PolarHBondContact O-N 3.46Å; Y138-R141 CarbonylContact O-C 3.49Å; Y138-R141 WeakPolarHBondContact O-CA 3.4Å; Y138-R141 WeakPolarHBondContact O-CB 3.38Å; Y138-R141 PolarHBondContact O-N 3.24Å; Y138-G142 PolarHBondContact O-N 2.87Å; Y138-A143 WeakPolarHBondContact O-CB 3.35Å; Y138-A143 PolarHBondContact O-N 3.22Å
139K97.6Very high95.6Very high90 Ų9084.1 Ų84.139%0.39143%0.428SS..Hα-helixtrans-59.6-40.1179.9-77.1-170.8173.4-178.50113V135 R141 G142V135-K139 HydrophobicContact CG1-CD 4.01Å; V135-K139 HydrophobicContact CG1-CG 4.4Å; V135-K139 WeakPolarHBondContact O-CB 3.27Å; V135-K139 WeakPolarHBondContact O-CG 3.37Å; V135-K139 PolarHBondContact O-N 2.84Å; K139-R141 PolarHBondContact O-N 3.3Å; K139-G142 PolarHBondContact O-N 3.02Å
140R97.3Very high95.9Very high170 Ų17080.1 Ų80.164%0.64241%0.409SS*.THydrogen-bonded Turntrans-62.5-11174.2-73.2-168.3-58.5-90.8-1.4114.1Q136 Y138Q136-R140 WeakPolarHBondContact O-CB 3.39Å; Q136-R140 VanDerWaalsContact O-CG 3.31Å; Q136-R140 WeakPolarHBondContact O-CG 3.33Å; Q136-R140 VanDerWaalsContact O-CZ 3.3Å; Q136-R140 PolarHBondContact O-N 3.06Å; Q136-R140 PolarHBondContact O-NH1 3.48Å; Y138-R140 VanDerWaalsContact C-N 3.34Å; Y138-R140 PolarHBondContact O-N 3.46Å
141R97.6Very high96.3Very high112 Ų11275.1 Ų75.142%0.42339%0.394SS..THydrogen-bonded Turntrans-109.410.6176.8-67.7170.8176.470.11.4112.9S105 F137 Y138 K139S105-R141 PolarHBondContact OG-NH2 2.87Å; F137-R141 PolarHBondContact O-NH1 3.31Å; Y138-R141 CarbonylContact O-C 3.49Å; Y138-R141 WeakPolarHBondContact O-CA 3.4Å; Y138-R141 WeakPolarHBondContact O-CB 3.38Å; Y138-R141 PolarHBondContact O-N 3.24Å; K139-R141 PolarHBondContact O-N 3.3Å
142G98.1Very high96.6Very high63 Ų6381.2 Ų81.265%0.64942%0.415SS*.THydrogen-bonded Turntrans88.617176.500000114.8Y138 K139Y138-G142 PolarHBondContact O-N 2.87Å; K139-G142 PolarHBondContact O-N 3.02Å
143A98.2Very high96.7Very high33 Ų3384.2 Ų84.227%0.27342%0.422SS..  trans-71.7137169.600000111F125 Y138F125-A143 HydrophobicContact CZ-CB 3.93Å; Y138-A143 WeakPolarHBondContact O-CB 3.35Å; Y138-A143 PolarHBondContact O-N 3.22Å
144E97.9Very high96.9Very high139 Ų13987.4 Ų87.465%0.6543%0.434SS*.  trans-104.5151176.9-70168.4173.500109.7L146E144-L146 PolarHBondContact O-N 3.44Å
145D97.8Very high97.1Very high44 Ų4494.8 Ų94.824%0.23546%0.463CS..  trans-97.590.3-179.8-175.3-20.8000109.8S147 Q148 E149D145-S147 PolarHBondContact O-N 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.45Å; D145-S147 PolarHBondContact OD1-N 3.1Å; D145-S147 VanDerWaalsContact OD1-N 3.08Å; D145-Q148 HydrophobicContact CB-CB 4.25Å; D145-Q148 HydrophobicContact CB-CG 4.41Å; D145-Q148 PolarHBondContact O-N 2.76Å; D145-Q148 PolarHBondContact OD1-N 3.22Å; D145-Q148 VanDerWaalsContact OD1-N 3.15Å; D145-Q148 VanDerWaalsContact OD2-CD 3.29Å; D145-Q148 WeakPolarHBondContact OD2-CG 2.82Å; D145-Q148 PolarHBondContact OD2-NE2 2.91Å; D145-E149 PolarHBondContact N-OE1 3.19Å; D145-E149 WeakPolarHBondContact O-CB 3.45Å; D145-E149 WeakPolarHBondContact O-CG 3.38Å; D145-E149 PolarHBondContact O-N 2.95Å
146L97.4Very high97.1Very high48 Ų48103.9 Ų103.925%0.25149%0.494SS..Hα-helixtrans-64.7-23.1-177-55.6-179.7000113.3M124 E144 Q148 E150 G151M124-L146 HydrophobicContact CE-CD1 3.38Å; M124-L146 HydrophobicContact SD-CD1 3.96Å; E144-L146 PolarHBondContact O-N 3.44Å; L146-Q148 VanDerWaalsContact C-N 3.3Å; L146-E150 WeakPolarHBondContact O-CB 3.48Å; L146-E150 PolarHBondContact O-N 2.64Å; L146-G151 PolarHBondContact O-N 3.1Å
147S97.6Very high97.1Very high62 Ų62106.8 Ų106.843%0.43451%0.506SS..Hα-helixtrans-70-32.8175.6-60.20000111.4D145 G151 R153D145-S147 PolarHBondContact O-N 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.45Å; D145-S147 PolarHBondContact OD1-N 3.1Å; D145-S147 VanDerWaalsContact OD1-N 3.08Å; S147-G151 WeakPolarHBondContact O-CA 3.32Å; S147-G151 PolarHBondContact O-N 3.5Å; S147-R153 PolarHBondContact O-NH1 3.26Å
148Q96.3Very high97.1Very high148 Ų148108.4 Ų108.469%0.69252%0.516SS*.Hα-helixtrans-85.6-43.2174.9-67.6-173.224.200112.6D145 L146D145-Q148 HydrophobicContact CB-CB 4.25Å; D145-Q148 HydrophobicContact CB-CG 4.41Å; D145-Q148 PolarHBondContact O-N 2.76Å; D145-Q148 PolarHBondContact OD1-N 3.22Å; D145-Q148 VanDerWaalsContact OD1-N 3.15Å; D145-Q148 VanDerWaalsContact OD2-CD 3.29Å; D145-Q148 WeakPolarHBondContact OD2-CG 2.82Å; D145-Q148 PolarHBondContact OD2-NE2 2.91Å; L146-Q148 VanDerWaalsContact C-N 3.3Å
149E96.9Very high96.9Very high119 Ų119115.3 Ų115.356%0.55655%0.546SS*.Hα-helixtrans-76.9-40.7-172.7-69.1179.1-147.800112.6D145D145-E149 PolarHBondContact N-OE1 3.19Å; D145-E149 WeakPolarHBondContact O-CB 3.45Å; D145-E149 WeakPolarHBondContact O-CG 3.38Å; D145-E149 PolarHBondContact O-N 2.95Å
150E96.8Very high96.8Very high113 Ų113116 Ų11653%0.52856%0.555SS.*THydrogen-bonded Turntrans-112.2-11.3-175.5-61.1-175.1-157.700113.1L146 W152L146-E150 WeakPolarHBondContact O-CB 3.48Å; L146-E150 PolarHBondContact O-N 2.64Å; E150-W152 HydrophobicContact CB-CG 4.44Å; E150-W152 PolarHBondContact OE2-NE1 3.21Å
151G96.6Very high96.7Very high45 Ų45109.9 Ų109.946%0.46454%0.537SS..  trans79.719176.700000114.5L146 S147L146-G151 PolarHBondContact O-N 3.1Å; S147-G151 WeakPolarHBondContact O-CA 3.32Å; S147-G151 PolarHBondContact O-N 3.5Å
152W96.7Very high96.7Very high143 Ų143108.8 Ų108.854%0.54254%0.54SS..  trans-65.6150.8177.9-65.3116.3000112.8W82 E150W82-W152 HydrophobicContact CH2-CZ2 4.5Å; E150-W152 HydrophobicContact CB-CG 4.44Å; E150-W152 PolarHBondContact OE2-NE1 3.21Å
153R96.4Very high96.6Very high164 Ų164109.6 Ų109.662%0.61953%0.532SS*.  trans-138.1136.1174.6-65-64.4-179.3-88.62.5108.7S147 F155S147-R153 PolarHBondContact O-NH1 3.26Å; R153-F155 HydrophobicContact CB-CD2 4.12Å; R153-F155 HydrophobicContact CB-CE2 3.69Å
154L96.8Very high96.5Very high151 Ų151115.3 Ų115.379%0.79155%0.55SS**  trans-80.8124.7176.6-175.262.3000110
155F97.4Very high96.4Very high186 Ų186114 Ų11482%0.81655%0.546SS*.  trans-117.2145.8175.8-81.9-111.5000109.8R153R153-F155 HydrophobicContact CB-CD2 4.12Å; R153-F155 HydrophobicContact CB-CE2 3.69Å
156R95.9Very high96.2Very high220 Ų220115.9 Ų115.983%0.8357%0.567SS**  trans-134.7134.3178.2-172-177.583.5169.73.2110.8
157F96.8Very high96Very high133 Ų133117.8 Ų117.858%0.58358%0.581SS**  trans-91.1127.5157.4-66.2-68.9000108.8L162 M165F157-L162 HydrophobicContact CB-CD2 3.78Å; F157-L162 HydrophobicContact CB-CG 3.86Å; F157-L162 HydrophobicContact CG-CD2 4.44Å; F157-M165 HydrophobicContact CB-CE 4.31Å; F157-M165 HydrophobicContact CD1-CE 3.9Å; F157-M165 HydrophobicContact CD2-CE 3.98Å; F157-M165 HydrophobicContact CE1-CE 4.18Å; F157-M165 HydrophobicContact CE2-CE 4.25Å; F157-M165 HydrophobicContact CG-CE 3.8Å; F157-M165 HydrophobicContact CZ-CE 4.34Å
158D95Very high95Very high71 Ų71120.2 Ų120.238%0.3860%0.595SS.*  trans-73.4171.3171.16417.9000111.7D160 S161 L162D158-D160 VanDerWaalsContact C-N 3.28Å; D158-D160 PolarHBondContact O-N 3.3Å; D158-D160 PolarHBondContact OD1-N 3.27Å; D158-S161 PolarHBondContact O-N 3Å; D158-S161 WeakPolarHBondContact OD1-CB 3.16Å; D158-S161 PolarHBondContact OD1-N 3.13Å; D158-S161 PolarHBondContact OD1-OG 2.62Å; D158-L162 WeakPolarHBondContact O-CG 3.41Å; D158-L162 PolarHBondContact O-N 3.2Å
159K93.5Very high94Very high167 Ų167117.6 Ų117.673%0.72660%0.599SS**Hα-helixtrans-53.9-45.1-178.7-178.3178177.6178.50111.9S161 L162 V163K159-S161 PolarHBondContact O-N 3.29Å; K159-L162 PolarHBondContact O-N 2.82Å; K159-V163 HydrophobicContact CG-CG2 4.46Å; K159-V163 VanDerWaalsContact O-CG2 3.3Å; K159-V163 WeakPolarHBondContact O-CG2 3.3Å; K159-V163 PolarHBondContact O-N 3.5Å
160D95.4Very high92.3Very high106 Ų106121.2 Ų121.257%0.56762%0.616SS**Hα-helixtrans-67.1-39.2-177.1-69.4-7.3000111.7D158 V163 K164D158-D160 VanDerWaalsContact C-N 3.28Å; D158-D160 PolarHBondContact O-N 3.3Å; D158-D160 PolarHBondContact OD1-N 3.27Å; D160-V163 PolarHBondContact O-N 3.45Å; D160-K164 VanDerWaalsContact O-CG 3.3Å; D160-K164 WeakPolarHBondContact O-CG 3.37Å; D160-K164 PolarHBondContact O-N 3.37Å
161S96.6Very high89.9Confident40 Ų40128.5 Ų128.528%0.2865%0.65SS.*Hα-helixtrans-63.4-42.5174.6-58.20000111.4D158 K159 K164 M165D158-S161 PolarHBondContact O-N 3Å; D158-S161 WeakPolarHBondContact OD1-CB 3.16Å; D158-S161 PolarHBondContact OD1-N 3.13Å; D158-S161 PolarHBondContact OD1-OG 2.62Å; K159-S161 PolarHBondContact O-N 3.29Å; S161-K164 PolarHBondContact O-N 3.42Å; S161-M165 PolarHBondContact O-N 3.34Å; S161-M165 VanDerWaalsContact O-N 3.13Å
162L96.5Very high89.6Confident90 Ų90132.7 Ų132.747%0.47166%0.659SS.*Hα-helixtrans-64.5-43176.1-68.1170.5000111.9F157 D158 K159 K164 M165 A166F157-L162 HydrophobicContact CB-CD2 3.78Å; F157-L162 HydrophobicContact CB-CG 3.86Å; F157-L162 HydrophobicContact CG-CD2 4.44Å; D158-L162 WeakPolarHBondContact O-CG 3.41Å; D158-L162 PolarHBondContact O-N 3.2Å; K159-L162 PolarHBondContact O-N 2.82Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 3.21Å; L162-M165 HydrophobicContact CD2-CE 3.85Å; L162-M165 PolarHBondContact O-N 2.96Å; L162-A166 WeakPolarHBondContact O-CB 3.3Å; L162-A166 PolarHBondContact O-N 3.45Å
163V96.3Very high89.2Confident79 Ų79132.2 Ų132.248%0.47967%0.666SS.*Hα-helixtrans-60.4-43.2176.7167.70000111.2K159 D160 A166 T167K159-V163 HydrophobicContact CG-CG2 4.46Å; K159-V163 VanDerWaalsContact O-CG2 3.3Å; K159-V163 WeakPolarHBondContact O-CG2 3.3Å; K159-V163 PolarHBondContact O-N 3.5Å; D160-V163 PolarHBondContact O-N 3.45Å; V163-A166 PolarHBondContact O-N 3.03Å; V163-T167 PolarHBondContact O-N 2.89Å; V163-T167 PolarHBondContact O-OG1 3.48Å
164K95.2Very high88.8Confident153 Ų153130.4 Ų130.467%0.66567%0.668SS**Hα-helixtrans-60.6-44.6176.1-73.1170.8-174172.70112.3D160 S161 L162 A166 T167D160-K164 VanDerWaalsContact O-CG 3.3Å; D160-K164 WeakPolarHBondContact O-CG 3.37Å; D160-K164 PolarHBondContact O-N 3.37Å; S161-K164 PolarHBondContact O-N 3.42Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 3.21Å; K164-A166 VanDerWaalsContact C-N 3.34Å; K164-T167 PolarHBondContact O-N 3.41Å
165M95.8Very high88.3Confident112 Ų112129.2 Ų129.255%0.55266%0.661SS**Hα-helixtrans-69.9-30.7178.6-70.1-173.4-67.700113.2F157 S161 L162 T167F157-M165 HydrophobicContact CB-CE 4.31Å; F157-M165 HydrophobicContact CD1-CE 3.9Å; F157-M165 HydrophobicContact CD2-CE 3.98Å; F157-M165 HydrophobicContact CE1-CE 4.18Å; F157-M165 HydrophobicContact CE2-CE 4.25Å; F157-M165 HydrophobicContact CG-CE 3.8Å; F157-M165 HydrophobicContact CZ-CE 4.34Å; S161-M165 PolarHBondContact O-N 3.34Å; S161-M165 VanDerWaalsContact O-N 3.13Å; L162-M165 HydrophobicContact CD2-CE 3.85Å; L162-M165 PolarHBondContact O-N 2.96Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 2.91Å
166A95.4Very high87.8Confident83 Ų83125.6 Ų125.669%0.68665%0.651SS**Hα-helixtrans-73.6-19.2177.700000113L162 V163 K164L162-A166 WeakPolarHBondContact O-CB 3.3Å; L162-A166 PolarHBondContact O-N 3.45Å; V163-A166 PolarHBondContact O-N 3.03Å; K164-A166 VanDerWaalsContact C-N 3.34Å
167T92.2Very high87.2Confident89 Ų89119.3 Ų119.355%0.54664%0.639SS.*SBendtrans-92.7120179.2-49.70000108.2V163 K164 M165 A169V163-T167 PolarHBondContact O-N 2.89Å; V163-T167 PolarHBondContact O-OG1 3.48Å; K164-T167 PolarHBondContact O-N 3.41Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 2.91Å; T167-A169 PolarHBondContact O-N 3.41Å
168P77.7Confident86.6Confident113 Ų113118.4 Ų118.473%0.73464%0.643SS**PPolyproline II helixtrans-56.2136.2175.6-2031000110E170P168-E170 PolarHBondContact O-N 3.22Å
169A73.9Confident85.9Confident93 Ų93122 Ų12277%0.76966%0.664SS**PPolyproline II helixtrans-63.6134.7167.500000108.3T167 E171T167-A169 PolarHBondContact O-N 3.41Å; A169-E171 PolarHBondContact O-N 3.46Å
170E62.1Low85.3Confident195 Ų195118.3 Ų118.391%0.91166%0.659SS**PPolyproline II helixtrans-62.3118.7167.2-67.9-179162.300107.6P168P168-E170 PolarHBondContact O-N 3.22Å
171E46.4Very low84.4Confident266 Ų266119.4 Ų119.4100%1.24367%0.667SS**  trans-65.20171.6-75.3-176.716200112.1A169A169-E171 PolarHBondContact O-N 3.46Å

Retrieved 171 of 171 residues in 177.5 ms (Link to these results)

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