A0A3Q0KR55_SCHMA Loading...

Protein-L-histidine N-pros-methyltransferase CARNMT1

AlphaFold DB , UniProt , Accession A0A3Q0KR55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 415 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
1M50.6Low73.3Confident211 Ų211111.9 Ų111.9100%1.03960%0.597SS**  070-79.1178.4169.600112.4
2T59.4Low74.1Confident119 Ų119107.4 Ų107.473%0.7359%0.587SS**  trans-100.4-30.5-173.749.70000114.6
3G61.3Low74.9Confident40 Ų40107.8 Ų107.841%0.41258%0.583SS.*Hα-helixtrans-71.9-42.1-176.700000114.5D5 E6 E7G3-D5 PolarHBondContact O-N 2.83Å; G3-E6 PolarHBondContact O-N 2.9Å; G3-E7 WeakPolarHBondContact O-CG 3.41Å; G3-E7 PolarHBondContact O-N 2.99Å
4T72.3Confident75.7Confident83 Ų83109.4 Ų109.451%0.50959%0.587SS.*Hα-helixtrans-69.3-34.8-177.3450000113.4E6 L8T4-E6 VanDerWaalsContact C-N 3.35Å; T4-L8 WeakPolarHBondContact O-CB 3.43Å; T4-L8 VanDerWaalsContact O-CG 3.24Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3.46Å; T4-L8 VanDerWaalsContact O-N 3.09Å
5D77.2Confident76.4Confident111 Ų111108.7 Ų108.759%0.59458%0.583SS**Hα-helixtrans-73.3-32179.2-71.1-0.6000111.3G3 K9G3-D5 PolarHBondContact O-N 2.83Å; D5-K9 WeakPolarHBondContact O-CB 3.27Å; D5-K9 PolarHBondContact O-N 2.92Å; D5-K9 VanDerWaalsContact O-N 3.13Å
6E80.7Confident76.9Confident127 Ų127104.4 Ų104.459%0.59356%0.558SS**Hα-helixtrans-72.5-45176.8-161.4159.3-153.300110.8G3 T4 L8 K9 E10G3-E6 PolarHBondContact O-N 2.9Å; T4-E6 VanDerWaalsContact C-N 3.35Å; E6-L8 PolarHBondContact O-N 3.19Å; E6-K9 PolarHBondContact O-N 3.34Å; E6-E10 WeakPolarHBondContact O-CG 3.19Å; E6-E10 PolarHBondContact O-N 2.81Å
7E78.6Confident77.5Confident132 Ų132104.7 Ų104.762%0.61756%0.555SS**Hα-helixtrans-59-45173.7-73.6170.1177.700112.5G3 K9 E10 A11G3-E7 WeakPolarHBondContact O-CG 3.41Å; G3-E7 PolarHBondContact O-N 2.99Å; E7-K9 VanDerWaalsContact C-N 3.29Å; E7-K9 PolarHBondContact O-N 3.01Å; E7-E10 PolarHBondContact O-N 2.84Å; E7-A11 WeakPolarHBondContact O-CB 3.36Å; E7-A11 PolarHBondContact O-N 3.17Å
8L78.7Confident78.2Confident121 Ų121102.9 Ų102.963%0.63454%0.543SS*.Hα-helixtrans-63.6-37177.1-76.1170.8000112.1T4 E6 A12T4-L8 WeakPolarHBondContact O-CB 3.43Å; T4-L8 VanDerWaalsContact O-CG 3.24Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3.46Å; T4-L8 VanDerWaalsContact O-N 3.09Å; E6-L8 PolarHBondContact O-N 3.19Å; L8-A12 WeakPolarHBondContact O-CB 3.4Å; L8-A12 PolarHBondContact O-N 3.2Å
9K80.7Confident78.9Confident133 Ų13397.9 Ų97.958%0.57852%0.516SS*.Hα-helixtrans-69.2-43.1177.2-173.2-178.4173.3-163.80111.4D5 E6 E7 A12 E13D5-K9 WeakPolarHBondContact O-CB 3.27Å; D5-K9 PolarHBondContact O-N 2.92Å; D5-K9 VanDerWaalsContact O-N 3.13Å; E6-K9 PolarHBondContact O-N 3.34Å; E7-K9 VanDerWaalsContact C-N 3.29Å; E7-K9 PolarHBondContact O-N 3.01Å; K9-A12 PolarHBondContact O-N 2.65Å; K9-E13 VanDerWaalsContact CE-OE1 3.23Å; K9-E13 WeakPolarHBondContact CE-OE1 3.3Å; K9-E13 IonicContact NZ-OE1 3.98Å; K9-E13 WeakPolarHBondContact O-CG 3.48Å; K9-E13 PolarHBondContact O-N 3.35Å
10E84.3Confident79.4Confident115 Ų11594.6 Ų94.654%0.53750%0.5SS..Hα-helixtrans-61.5-43.7175.2-74.5-176.5173.200111.6E6 E7 A12 E13 M14E6-E10 WeakPolarHBondContact O-CG 3.19Å; E6-E10 PolarHBondContact O-N 2.81Å; E7-E10 PolarHBondContact O-N 2.84Å; E10-A12 PolarHBondContact O-N 2.7Å; E10-E13 PolarHBondContact O-N 2.96Å; E10-M14 WeakPolarHBondContact O-CG 3.4Å; E10-M14 PolarHBondContact O-N 3.34Å
11A82.7Confident80Confident39 Ų3992.9 Ų92.932%0.32249%0.488SS..Hα-helixtrans-59.2-46.517500000111.9E7 E13 M14 D15E7-A11 WeakPolarHBondContact O-CB 3.36Å; E7-A11 PolarHBondContact O-N 3.17Å; A11-E13 VanDerWaalsContact C-N 3.34Å; A11-E13 PolarHBondContact O-N 3.33Å; A11-M14 PolarHBondContact O-N 2.89Å; A11-D15 PolarHBondContact O-N 2.85Å
12A82.8Confident82Confident58 Ų5882.9 Ų82.948%0.47944%0.439SS..Hα-helixtrans-62.2-39.2177.100000112.7L8 K9 E10 H16L8-A12 WeakPolarHBondContact O-CB 3.4Å; L8-A12 PolarHBondContact O-N 3.2Å; K9-A12 PolarHBondContact O-N 2.65Å; E10-A12 PolarHBondContact O-N 2.7Å; A12-H16 WeakPolarHBondContact O-CB 3.43Å; A12-H16 PolarHBondContact O-N 3.44Å
13E84.6Confident83.6Confident113 Ų11377.2 Ų77.253%0.52840%0.404SS..Hα-helixtrans-66.7-39.2175.3-76.4178.1-169.900112K9 E10 A11 H16 H17K9-E13 VanDerWaalsContact CE-OE1 3.23Å; K9-E13 WeakPolarHBondContact CE-OE1 3.3Å; K9-E13 IonicContact NZ-OE1 3.98Å; K9-E13 WeakPolarHBondContact O-CG 3.48Å; K9-E13 PolarHBondContact O-N 3.35Å; E10-E13 PolarHBondContact O-N 2.96Å; A11-E13 VanDerWaalsContact C-N 3.34Å; A11-E13 PolarHBondContact O-N 3.33Å; E13-H16 PolarHBondContact O-N 3.38Å; E13-H17 WeakPolarHBondContact O-CB 3.36Å; E13-H17 PolarHBondContact O-N 2.85Å
14M86.6Confident85.2Confident130 Ų13075.6 Ų75.664%0.6439%0.386SS*.Hα-helixtrans-64.8-44.4174.8-73.3-165.5-5900112.3E10 A11 H16 H17 H18E10-M14 WeakPolarHBondContact O-CG 3.4Å; E10-M14 PolarHBondContact O-N 3.34Å; A11-M14 PolarHBondContact O-N 2.89Å; M14-H16 VanDerWaalsContact C-N 3.33Å; M14-H16 PolarHBondContact O-N 3.47Å; M14-H17 WeakPolarHBondContact O-CB 3.3Å; M14-H17 PolarHBondContact O-N 3.23Å; M14-H18 WeakPolarHBondContact O-CB 3.36Å; M14-H18 PolarHBondContact O-N 2.83Å
15D85.7Confident86.2Confident98 Ų9871.6 Ų71.652%0.52436%0.362SS..Hα-helixtrans-61.8-43.6176.7-77.9-14.3000111.2A11 H17 H18 F19A11-D15 PolarHBondContact O-N 2.85Å; D15-H17 PolarHBondContact O-N 3.38Å; D15-H18 PolarHBondContact O-N 3.04Å; D15-F19 WeakPolarHBondContact O-CB 3.39Å; D15-F19 PolarHBondContact O-N 3.28Å
16H84.3Confident87.1Confident40 Ų4066.4 Ų66.419%0.18533%0.334CS..Hα-helixtrans-60.5-46.3175-177.373.8000111.6A12 E13 M14 H18 F19 V20 H92 E95A12-H16 WeakPolarHBondContact O-CB 3.43Å; A12-H16 PolarHBondContact O-N 3.44Å; E13-H16 PolarHBondContact O-N 3.38Å; M14-H16 VanDerWaalsContact C-N 3.33Å; M14-H16 PolarHBondContact O-N 3.47Å; H16-H18 VanDerWaalsContact C-N 3.32Å; H16-H18 PolarHBondContact O-N 2.95Å; H16-F19 WeakPolarHBondContact O-CB 3.16Å; H16-F19 PolarHBondContact O-N 3.39Å; H16-V20 WeakPolarHBondContact O-CG2 3.21Å; H16-V20 PolarHBondContact O-N 3.29Å; H16-H92 AromaticContact CE1-CD2 3.32Å; H16-H92 PolarHBondContact CE1-CD2 3.32Å; H16-H92 AromaticContact CE1-CG 3.39Å; H16-H92 AromaticContact CE1-ND1 3.88Å; H16-H92 AromaticContact CE1-NE2 3.77Å; H16-H92 AromaticContact ND1-CD2 3.81Å; H16-E95 IonicContact NE2-OE2 2.84Å
17H88.1Confident87.8Confident110 Ų11062.6 Ų62.651%0.50931%0.314SS..Hα-helixtrans-60-43.2176.3-173.788.3000111.8E13 M14 D15 F19 V20 K21 F123E13-H17 WeakPolarHBondContact O-CB 3.36Å; E13-H17 PolarHBondContact O-N 2.85Å; M14-H17 WeakPolarHBondContact O-CB 3.3Å; M14-H17 PolarHBondContact O-N 3.23Å; D15-H17 PolarHBondContact O-N 3.38Å; H17-F19 VanDerWaalsContact C-N 3.3Å; H17-F19 PolarHBondContact O-N 3.27Å; H17-V20 PolarHBondContact O-N 2.84Å; H17-K21 VanDerWaalsContact O-CB 3.32Å; H17-K21 WeakPolarHBondContact O-CB 3.29Å; H17-K21 PolarHBondContact O-N 3.28Å; H17-F123 AromaticContact CE1-CE1 3.54Å; H17-F123 AromaticContact NE2-CE1 3.61Å
18H89.9Confident88.6Confident73 Ų7358.6 Ų58.634%0.33830%0.295SS..Hα-helixtrans-61.5-39.6176.8-174.462.4000111.8M14 D15 H16 T22 L207M14-H18 WeakPolarHBondContact O-CB 3.36Å; M14-H18 PolarHBondContact O-N 2.83Å; D15-H18 PolarHBondContact O-N 3.04Å; H16-H18 VanDerWaalsContact C-N 3.32Å; H16-H18 PolarHBondContact O-N 2.95Å; H18-T22 WeakPolarHBondContact O-CB 3.43Å; H18-T22 PolarHBondContact O-N 3.07Å; H18-T22 PolarHBondContact O-OG1 3.12Å; H18-L207 VanDerWaalsContact CD2-CD1 3.44Å; H18-L207 WeakPolarHBondContact CD2-CD1 3.27Å
19F90.4Very high89.4Confident7 Ų753.1 Ų53.13%0.03127%0.266CS..Hα-helixtrans-64.3-51.5175.8176.7-109.7000113.1D15 H16 H17 K21 T22 L23 A84 I87 F88 L207 I211D15-F19 WeakPolarHBondContact O-CB 3.39Å; D15-F19 PolarHBondContact O-N 3.28Å; H16-F19 WeakPolarHBondContact O-CB 3.16Å; H16-F19 PolarHBondContact O-N 3.39Å; H17-F19 VanDerWaalsContact C-N 3.3Å; H17-F19 PolarHBondContact O-N 3.27Å; F19-K21 VanDerWaalsContact C-N 3.28Å; F19-K21 PolarHBondContact O-N 2.69Å; F19-T22 PolarHBondContact O-N 3.24Å; F19-T22 VanDerWaalsContact O-N 3.08Å; F19-L23 HydrophobicContact CD1-CD1 4.01Å; F19-L23 HydrophobicContact CD2-CG 4.47Å; F19-L23 HydrophobicContact CE1-CD1 3.48Å; F19-L23 VanDerWaalsContact CE1-CD1 3.48Å; F19-L23 HydrophobicContact CE1-CG 4.39Å; F19-L23 HydrophobicContact CE2-CD1 4.04Å; F19-L23 HydrophobicContact CE2-CD2 4.3Å; F19-L23 HydrophobicContact CE2-CG 4.19Å; F19-L23 HydrophobicContact CZ-CD1 3.51Å; F19-L23 HydrophobicContact CZ-CD2 4.4Å; F19-L23 HydrophobicContact CZ-CG 4.17Å; F19-L23 PolarHBondContact O-N 3Å; F19-A84 HydrophobicContact CZ-CB 4.01Å; F19-I87 HydrophobicContact CE2-CB 4.37Å; F19-I87 HydrophobicContact CE2-CG2 4.14Å; F19-F88 HydrophobicContact CB-CD2 3.94Å; F19-F88 HydrophobicContact CB-CE2 3.53Å; F19-F88 HydrophobicContact CB-CZ 3.98Å; F19-F88 HydrophobicContact CD1-CB 4.29Å; F19-F88 AromaticContact CD1-CD2 3.55Å; F19-F88 HydrophobicContact CD1-CD2 3.55Å; F19-F88 HydrophobicContact CD1-CE2 4.07Å; F19-F88 HydrophobicContact CD1-CG 4.02Å; F19-F88 AromaticContact CD2-CD2 3.38Å; F19-F88 HydrophobicContact CD2-CD2 3.38Å; F19-F88 AromaticContact CD2-CE2 3.41Å; F19-F88 HydrophobicContact CD2-CE2 3.41Å; F19-F88 VanDerWaalsContact CD2-CE2 3.41Å; F19-F88 HydrophobicContact CE1-CB 3.99Å; F19-F88 AromaticContact CE1-CD2 3.72Å; F19-F88 HydrophobicContact CE1-CD2 3.72Å; F19-F88 HydrophobicContact CE1-CG 4.15Å; F19-F88 AromaticContact CE2-CD2 3.59Å; F19-F88 HydrophobicContact CE2-CD2 3.59Å; F19-F88 HydrophobicContact CE2-CE2 4.04Å; F19-F88 AromaticContact CG-CD2 3.34Å; F19-F88 HydrophobicContact CG-CD2 3.34Å; F19-F88 AromaticContact CG-CE2 3.41Å; F19-F88 HydrophobicContact CG-CE2 3.41Å; F19-F88 VanDerWaalsContact CG-CE2 3.41Å; F19-F88 HydrophobicContact CG-CG 4.22Å; F19-F88 HydrophobicContact CG-CZ 4.3Å; F19-F88 HydrophobicContact CZ-CB 4.34Å; F19-F88 AromaticContact CZ-CD2 3.72Å; F19-F88 HydrophobicContact CZ-CD2 3.72Å; F19-F88 HydrophobicContact CZ-CG 4.46Å; F19-L207 VanDerWaalsContact CA-CD1 3.48Å; F19-L207 HydrophobicContact CB-CD1 3.83Å; F19-L207 HydrophobicContact CD2-CD1 4.01Å; F19-L207 HydrophobicContact CD2-CD2 4.19Å; F19-L207 HydrophobicContact CG-CD1 4.44Å; F19-I211 HydrophobicContact CD2-CD1 4.45Å; F19-I211 HydrophobicContact CE2-CD1 4.19Å; F19-I211 HydrophobicContact CE2-CG1 4.35Å
20V89.6Confident90.1Very high32 Ų3246.9 Ų46.919%0.19424%0.24CC..Hα-helixtrans-61-39.8178.1176.30000111H16 H17 T22 S24 F123H16-V20 WeakPolarHBondContact O-CG2 3.21Å; H16-V20 PolarHBondContact O-N 3.29Å; H17-V20 PolarHBondContact O-N 2.84Å; V20-T22 PolarHBondContact O-N 3.24Å; V20-S24 WeakPolarHBondContact O-CB 3.43Å; V20-S24 PolarHBondContact O-N 2.85Å; V20-S24 PolarHBondContact O-OG 2.76Å; V20-F123 HydrophobicContact CG1-CE2 3.98Å; V20-F123 HydrophobicContact CG1-CZ 4.15Å
21K91.7Very high90.6Very high59 Ų5943.4 Ų43.426%0.25723%0.227SC..Hα-helixtrans-61-43.7174.1-175.6179.6175.4-171.60111.5H17 F19 S24 A25 F123 F125 E129H17-K21 VanDerWaalsContact O-CB 3.32Å; H17-K21 WeakPolarHBondContact O-CB 3.29Å; H17-K21 PolarHBondContact O-N 3.28Å; F19-K21 VanDerWaalsContact C-N 3.28Å; F19-K21 PolarHBondContact O-N 2.69Å; K21-S24 PolarHBondContact O-N 3.32Å; K21-A25 PolarHBondContact O-N 2.86Å; K21-F123 HydrophobicContact CB-CD1 4.28Å; K21-F123 HydrophobicContact CB-CE1 4.01Å; K21-F123 HydrophobicContact CB-CE2 4.48Å; K21-F123 HydrophobicContact CB-CZ 4.12Å; K21-F123 HydrophobicContact CD-CD1 4.45Å; K21-F123 HydrophobicContact CG-CD1 4.06Å; K21-F123 HydrophobicContact CG-CE1 4.29Å; K21-F123 HydrophobicContact CG-CG 4.29Å; K21-F125 HydrophobicContact CG-CE1 4.49Å; K21-E129 VanDerWaalsContact CE-OE1 3.27Å; K21-E129 WeakPolarHBondContact CE-OE1 3.49Å; K21-E129 IonicContact NZ-OE1 2.84Å; K21-E129 PolarHBondContact NZ-OE1 2.89Å
22T93.6Very high91.2Very high0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-64.7-47179.4-620000111.7H18 F19 V20 S24 A25 F26 L207 Y208 I211H18-T22 WeakPolarHBondContact O-CB 3.43Å; H18-T22 PolarHBondContact O-N 3.07Å; H18-T22 PolarHBondContact O-OG1 3.12Å; F19-T22 PolarHBondContact O-N 3.24Å; F19-T22 VanDerWaalsContact O-N 3.08Å; V20-T22 PolarHBondContact O-N 3.24Å; T22-S24 VanDerWaalsContact C-N 3.27Å; T22-S24 PolarHBondContact O-N 3.19Å; T22-A25 WeakPolarHBondContact O-CB 3.07Å; T22-A25 PolarHBondContact O-N 3.25Å; T22-A25 VanDerWaalsContact O-N 3.11Å; T22-F26 HydrophobicContact CG2-CD2 4.05Å; T22-F26 HydrophobicContact CG2-CE2 3.88Å; T22-F26 WeakPolarHBondContact O-CD2 3.39Å; T22-F26 PolarHBondContact O-N 2.82Å; T22-L207 HydrophobicContact CG2-CB 3.82Å; T22-Y208 HydrophobicContact CG2-CD1 4.13Å; T22-Y208 HydrophobicContact CG2-CD2 4Å; T22-Y208 HydrophobicContact CG2-CE1 4.02Å; T22-Y208 HydrophobicContact CG2-CE2 3.86Å; T22-Y208 HydrophobicContact CG2-CG 4.12Å; T22-I211 HydrophobicContact CG2-CD1 3.93Å
23L93Very high91.9Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-59.7-40.5175.5-66.1178.3000112.1F19 A25 F26 R27 I80 A84 L96 I211F19-L23 HydrophobicContact CD1-CD1 4.01Å; F19-L23 HydrophobicContact CD2-CG 4.47Å; F19-L23 HydrophobicContact CE1-CD1 3.48Å; F19-L23 VanDerWaalsContact CE1-CD1 3.48Å; F19-L23 HydrophobicContact CE1-CG 4.39Å; F19-L23 HydrophobicContact CE2-CD1 4.04Å; F19-L23 HydrophobicContact CE2-CD2 4.3Å; F19-L23 HydrophobicContact CE2-CG 4.19Å; F19-L23 HydrophobicContact CZ-CD1 3.51Å; F19-L23 HydrophobicContact CZ-CD2 4.4Å; F19-L23 HydrophobicContact CZ-CG 4.17Å; F19-L23 PolarHBondContact O-N 3Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 2.94Å; L23-F26 PolarHBondContact O-N 3.02Å; L23-R27 WeakPolarHBondContact O-CG 3.31Å; L23-R27 PolarHBondContact O-N 3.15Å; L23-I80 HydrophobicContact CD2-CG1 4Å; L23-I80 HydrophobicContact CD2-CG2 4.09Å; L23-A84 HydrophobicContact CD1-CB 3.92Å; L23-A84 HydrophobicContact CD2-CB 4.27Å; L23-L96 HydrophobicContact CB-CD2 4.35Å; L23-L96 HydrophobicContact CD1-CD1 4.02Å; L23-L96 HydrophobicContact CD1-CD2 3.46Å; L23-L96 VanDerWaalsContact CD1-CD2 3.46Å; L23-L96 HydrophobicContact CD1-CG 4.36Å; L23-I211 HydrophobicContact CD2-CD1 3.58Å; L23-I211 HydrophobicContact CD2-CG1 4.35Å; L23-I211 HydrophobicContact CG-CD1 4.34Å
24S93.1Very high92.5Very high6 Ų638.3 Ų38.34%0.04219%0.188CC..Hα-helixtrans-65.9-36.1177.1-57.20000111.7V20 K21 T22 R27 F28 F125V20-S24 WeakPolarHBondContact O-CB 3.43Å; V20-S24 PolarHBondContact O-N 2.85Å; V20-S24 PolarHBondContact O-OG 2.76Å; K21-S24 PolarHBondContact O-N 3.32Å; T22-S24 VanDerWaalsContact C-N 3.27Å; T22-S24 PolarHBondContact O-N 3.19Å; S24-R27 PolarHBondContact O-N 3.42Å; S24-F28 WeakPolarHBondContact O-CB 3.39Å; S24-F28 PolarHBondContact O-N 3.12Å; S24-F125 VanDerWaalsContact C-CZ 3.43Å
25A95.1Very high92.9Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-62.7-44.7173.700000111.7K21 T22 L23 R27 F28 F29 F125 E129 M130 V133 Y208K21-A25 PolarHBondContact O-N 2.86Å; T22-A25 WeakPolarHBondContact O-CB 3.07Å; T22-A25 PolarHBondContact O-N 3.25Å; T22-A25 VanDerWaalsContact O-N 3.11Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 2.94Å; A25-R27 PolarHBondContact O-N 2.85Å; A25-F28 PolarHBondContact O-N 3.4Å; A25-F29 PolarHBondContact O-N 3.26Å; A25-F125 HydrophobicContact CB-CD1 3.96Å; A25-F125 HydrophobicContact CB-CE1 3.71Å; A25-F125 HydrophobicContact CB-CZ 4.49Å; A25-E129 HydrophobicContact CB-CB 4.25Å; A25-M130 HydrophobicContact CB-CE 4.04Å; A25-M130 WeakPolarHBondContact O-CE 3.45Å; A25-V133 HydrophobicContact CB-CG2 4.21Å; A25-Y208 HydrophobicContact CB-CE1 4.27Å
26F95.7Very high93.3Very high1 Ų137.2 Ų37.20%0.00417%0.173CC..Hα-helixtrans-58.2-48173.7-85.6-80.3000111.7T22 L23 F28 F29 I76 I80 V133 A136 Y208 I211 P212T22-F26 HydrophobicContact CG2-CD2 4.05Å; T22-F26 HydrophobicContact CG2-CE2 3.88Å; T22-F26 WeakPolarHBondContact O-CD2 3.39Å; T22-F26 PolarHBondContact O-N 2.82Å; L23-F26 PolarHBondContact O-N 3.02Å; F26-F28 VanDerWaalsContact C-N 3.28Å; F26-F28 PolarHBondContact O-N 2.87Å; F26-F29 WeakPolarHBondContact O-CB 3.34Å; F26-F29 PolarHBondContact O-N 2.84Å; F26-I76 HydrophobicContact CB-CG2 3.77Å; F26-I76 HydrophobicContact CD1-CG2 4.21Å; F26-I76 HydrophobicContact CG-CG2 4.46Å; F26-I80 HydrophobicContact CB-CD1 3.85Å; F26-V133 HydrophobicContact CD1-CG1 3.71Å; F26-V133 HydrophobicContact CD1-CG2 4.32Å; F26-V133 HydrophobicContact CE1-CG1 3.96Å; F26-V133 HydrophobicContact CG-CG1 4.43Å; F26-V133 HydrophobicContact CG-CG2 4.31Å; F26-A136 HydrophobicContact CE1-CB 4.35Å; F26-A136 HydrophobicContact CZ-CB 4.16Å; F26-Y208 HydrophobicContact CD2-CD1 4.48Å; F26-Y208 AromaticContact CE2-CD1 3.75Å; F26-Y208 HydrophobicContact CE2-CD1 3.75Å; F26-Y208 HydrophobicContact CE2-CE1 4.34Å; F26-Y208 HydrophobicContact CE2-CG 4.37Å; F26-Y208 HydrophobicContact CZ-CD1 4.04Å; F26-I211 HydrophobicContact CE2-CD1 4.38Å; F26-P212 HydrophobicContact CE1-CG 4.33Å; F26-P212 HydrophobicContact CZ-CG 4.03Å
27R94.3Very high94Very high47 Ų4735.3 Ų35.318%0.17716%0.164CC..Hα-helixtrans-61.6-34.6177.9-70.2176.6177.6-179-4.9113L23 S24 A25 F29 P31 I80 L96 T99L23-R27 WeakPolarHBondContact O-CG 3.31Å; L23-R27 PolarHBondContact O-N 3.15Å; S24-R27 PolarHBondContact O-N 3.42Å; A25-R27 PolarHBondContact O-N 2.85Å; R27-F29 VanDerWaalsContact C-N 3.33Å; R27-P31 WeakPolarHBondContact O-CD 3.35Å; R27-I80 HydrophobicContact CG-CD1 3.6Å; R27-L96 PolarHBondContact NH1-O 2.9Å; R27-L96 PolarHBondContact NH2-O 3.25Å; R27-T99 PolarHBondContact NH1-OG1 2.84Å
28F95.1Very high94.4Very high49 Ų4935.3 Ų35.322%0.21516%0.164CC..Hα-helixtrans-78.3-16-178.9-172.7-114.1000113.6S24 A25 F26 G30 P31 H32 I120 F125 M130S24-F28 WeakPolarHBondContact O-CB 3.39Å; S24-F28 PolarHBondContact O-N 3.12Å; A25-F28 PolarHBondContact O-N 3.4Å; F26-F28 VanDerWaalsContact C-N 3.28Å; F26-F28 PolarHBondContact O-N 2.87Å; F28-G30 PolarHBondContact O-N 2.99Å; F28-P31 HydrophobicContact CD2-CB 4.21Å; F28-P31 HydrophobicContact CE2-CB 4.32Å; F28-P31 WeakPolarHBondContact O-CD 3.45Å; F28-H32 HydrophobicContact CD1-CB 4.09Å; F28-H32 HydrophobicContact CE1-CB 3.91Å; F28-H32 HydrophobicContact CZ-CB 4.44Å; F28-H32 VanDerWaalsContact O-CB 3.32Å; F28-H32 WeakPolarHBondContact O-CB 3.49Å; F28-H32 PolarHBondContact O-N 2.46Å; F28-I120 HydrophobicContact CB-CG2 4.14Å; F28-I120 HydrophobicContact CD2-CB 4.02Å; F28-I120 HydrophobicContact CD2-CD1 3.55Å; F28-I120 HydrophobicContact CD2-CG1 4.37Å; F28-I120 HydrophobicContact CD2-CG2 3.91Å; F28-I120 HydrophobicContact CE2-CD1 3.77Å; F28-F125 HydrophobicContact CB-CD2 3.73Å; F28-F125 HydrophobicContact CB-CE2 3.74Å; F28-F125 HydrophobicContact CD1-CB 3.81Å; F28-F125 AromaticContact CD1-CD2 3.35Å; F28-F125 HydrophobicContact CD1-CD2 3.35Å; F28-F125 HydrophobicContact CD1-CE2 4.24Å; F28-F125 AromaticContact CD1-CG 3.83Å; F28-F125 HydrophobicContact CD1-CG 3.83Å; F28-F125 HydrophobicContact CD2-CD2 4.29Å; F28-F125 HydrophobicContact CE1-CB 4.03Å; F28-F125 HydrophobicContact CE1-CD2 4.01Å; F28-F125 HydrophobicContact CE1-CG 4.44Å; F28-F125 AromaticContact CG-CD2 3.52Å; F28-F125 HydrophobicContact CG-CD2 3.52Å; F28-F125 AromaticContact CG-CE2 3.96Å; F28-F125 HydrophobicContact CG-CE2 3.96Å; F28-F125 HydrophobicContact CG-CG 4.37Å; F28-M130 HydrophobicContact CB-CE 4.5Å; F28-M130 HydrophobicContact CD1-CE 4Å; F28-M130 HydrophobicContact CD1-SD 3.78Å; F28-M130 HydrophobicContact CE1-SD 4.44Å
29F95.5Very high94.8Very high5 Ų539.6 Ų39.62%0.02218%0.177CC..Hα-helixtrans-60.6-44.3-174.2-174-109000113.8A25 F26 R27 H32 L33 I76 M130 V133 R134 L137A25-F29 PolarHBondContact O-N 3.26Å; F26-F29 WeakPolarHBondContact O-CB 3.34Å; F26-F29 PolarHBondContact O-N 2.84Å; R27-F29 VanDerWaalsContact C-N 3.33Å; F29-H32 WeakPolarHBondContact O-CB 3.42Å; F29-H32 PolarHBondContact O-N 2.81Å; F29-L33 HydrophobicContact CD1-CD1 4.12Å; F29-L33 HydrophobicContact CE1-CD1 3.52Å; F29-L33 HydrophobicContact CE1-CG 4.28Å; F29-L33 HydrophobicContact CE2-CD1 4.45Å; F29-L33 HydrophobicContact CE2-CG 4.46Å; F29-L33 HydrophobicContact CZ-CD1 3.72Å; F29-L33 HydrophobicContact CZ-CD2 4.47Å; F29-L33 HydrophobicContact CZ-CG 4.19Å; F29-L33 WeakPolarHBondContact O-CG 3.17Å; F29-L33 PolarHBondContact O-N 2.88Å; F29-I76 HydrophobicContact CD1-CD1 4.08Å; F29-M130 HydrophobicContact CB-SD 4.38Å; F29-M130 HydrophobicContact CD2-CB 4.4Å; F29-M130 HydrophobicContact CD2-SD 4.03Å; F29-M130 WeakPolarHBondContact CE2-O 3.34Å; F29-V133 HydrophobicContact CB-CB 4.36Å; F29-V133 HydrophobicContact CB-CG1 3.73Å; F29-V133 HydrophobicContact CD1-CG1 3.95Å; F29-V133 HydrophobicContact CD2-CB 3.83Å; F29-V133 HydrophobicContact CD2-CG1 3.74Å; F29-V133 HydrophobicContact CE2-CB 4.34Å; F29-V133 HydrophobicContact CE2-CG1 4.32Å; F29-V133 HydrophobicContact CG-CB 4.13Å; F29-V133 HydrophobicContact CG-CG1 3.52Å; F29-R134 HydrophobicContact CE2-CB 3.99Å; F29-R134 HydrophobicContact CZ-CB 4Å; F29-R134 HydrophobicContact CZ-CG 4.23Å; F29-L137 HydrophobicContact CD1-CD1 3.91Å; F29-L137 HydrophobicContact CE1-CD1 3.42Å; F29-L137 VanDerWaalsContact CE1-CD1 3.42Å; F29-L137 HydrophobicContact CZ-CD1 4.16Å
30G96.2Very high95.1Very high3 Ų340.1 Ų40.13%0.03118%0.182CC..Hα-helixtrans-59.7-57175.100000112.5F28 H32 L33 L34 N73F28-G30 PolarHBondContact O-N 2.99Å; G30-H32 VanDerWaalsContact C-N 3.26Å; G30-H32 PolarHBondContact O-N 2.87Å; G30-L33 PolarHBondContact O-N 2.99Å; G30-L33 VanDerWaalsContact O-N 3.09Å; G30-L34 WeakPolarHBondContact O-CG 3.16Å; G30-L34 PolarHBondContact O-N 2.92Å; G30-N73 WeakPolarHBondContact CA-OD1 3.26Å
31P95.3Very high95.5Very high42 Ų4240.8 Ų40.827%0.27318%0.181SC..Hα-helixtrans-52-40.2173.3-30.235.8000114.3R27 F28 L34 K35 I120R27-P31 WeakPolarHBondContact O-CD 3.35Å; F28-P31 HydrophobicContact CD2-CB 4.21Å; F28-P31 HydrophobicContact CE2-CB 4.32Å; F28-P31 WeakPolarHBondContact O-CD 3.45Å; P31-L34 PolarHBondContact O-N 3.06Å; P31-K35 PolarHBondContact O-N 2.89Å; P31-I120 HydrophobicContact CB-CD1 3.82Å; P31-I120 HydrophobicContact CG-CD1 3.91Å
32H95.3Very high95.8Very high44 Ų4441 Ų4120%0.20419%0.194CC..Hα-helixtrans-59.9-47.6175.6173.188.1000111.8F28 F29 G30 K35 R36 M130F28-H32 HydrophobicContact CD1-CB 4.09Å; F28-H32 HydrophobicContact CE1-CB 3.91Å; F28-H32 HydrophobicContact CZ-CB 4.44Å; F28-H32 VanDerWaalsContact O-CB 3.32Å; F28-H32 WeakPolarHBondContact O-CB 3.49Å; F28-H32 PolarHBondContact O-N 2.46Å; F29-H32 WeakPolarHBondContact O-CB 3.42Å; F29-H32 PolarHBondContact O-N 2.81Å; G30-H32 VanDerWaalsContact C-N 3.26Å; G30-H32 PolarHBondContact O-N 2.87Å; H32-K35 PolarHBondContact O-N 2.87Å; H32-R36 PolarHBondContact O-N 2.9Å; H32-M130 HydrophobicContact CB-CG 4.33Å; H32-M130 HydrophobicContact CB-SD 3.73Å
33L96Very high96Very high7 Ų748.6 Ų48.64%0.03722%0.223CC..Hα-helixtrans-67-39.5177.5-70-177.5000112.6F29 G30 K35 R36 V37 I69 I232F29-L33 HydrophobicContact CD1-CD1 4.12Å; F29-L33 HydrophobicContact CE1-CD1 3.52Å; F29-L33 HydrophobicContact CE1-CG 4.28Å; F29-L33 HydrophobicContact CE2-CD1 4.45Å; F29-L33 HydrophobicContact CE2-CG 4.46Å; F29-L33 HydrophobicContact CZ-CD1 3.72Å; F29-L33 HydrophobicContact CZ-CD2 4.47Å; F29-L33 HydrophobicContact CZ-CG 4.19Å; F29-L33 WeakPolarHBondContact O-CG 3.17Å; F29-L33 PolarHBondContact O-N 2.88Å; G30-L33 PolarHBondContact O-N 2.99Å; G30-L33 VanDerWaalsContact O-N 3.09Å; L33-K35 VanDerWaalsContact C-N 3.3Å; L33-K35 PolarHBondContact O-N 2.77Å; L33-R36 WeakPolarHBondContact O-CA 3.27Å; L33-R36 VanDerWaalsContact O-CB 3.32Å; L33-R36 WeakPolarHBondContact O-CB 3.49Å; L33-R36 PolarHBondContact O-N 2.88Å; L33-V37 PolarHBondContact O-N 2.75Å; L33-I69 HydrophobicContact CB-CD1 3.72Å; L33-I69 HydrophobicContact CB-CG1 4.05Å; L33-I69 HydrophobicContact CB-CG2 4.15Å; L33-I69 HydrophobicContact CD1-CG1 4.2Å; L33-I232 HydrophobicContact CD1-CD1 4.17Å; L33-I232 HydrophobicContact CD1-CG1 4.1Å
34L97.4Very high96.2Very high52 Ų5249.4 Ų49.427%0.27223%0.227SC..Hα-helixtrans-58.7-43.4175.6-70.7174.9000111.1G30 P31 R36 V37 E38 E66 I69G30-L34 WeakPolarHBondContact O-CG 3.16Å; G30-L34 PolarHBondContact O-N 2.92Å; P31-L34 PolarHBondContact O-N 3.06Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 2.92Å; L34-V37 CarbonylContact O-C 3.58Å; L34-V37 WeakPolarHBondContact O-CA 3.29Å; L34-V37 WeakPolarHBondContact O-CB 3.42Å; L34-V37 PolarHBondContact O-N 2.78Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 2.89Å; L34-E66 HydrophobicContact CD2-CB 4.19Å; L34-E66 HydrophobicContact CD2-CG 3.86Å; L34-I69 HydrophobicContact CD2-CB 4.24Å; L34-I69 HydrophobicContact CD2-CD1 4.11Å; L34-I69 HydrophobicContact CD2-CG2 4Å; L34-I69 HydrophobicContact CG-CG2 3.9Å
35K95.7Very high96.4Very high113 Ų11355.3 Ų55.349%0.49125%0.249SC..Hα-helixtrans-63.3-30.8176-169.6162.7-177.6178.70113.3P31 H32 L33 R39P31-K35 PolarHBondContact O-N 2.89Å; H32-K35 PolarHBondContact O-N 2.87Å; L33-K35 VanDerWaalsContact C-N 3.3Å; L33-K35 PolarHBondContact O-N 2.77Å; K35-R39 PolarHBondContact O-N 2.93Å
36R95Very high96.5Very high92 Ų9259.3 Ų59.335%0.34728%0.277SS..Hα-helixtrans-67.9-39.3171.6178.670.2-175.683.10.6111.3H32 L33 L34 S40 F235H32-R36 PolarHBondContact O-N 2.9Å; L33-R36 WeakPolarHBondContact O-CA 3.27Å; L33-R36 VanDerWaalsContact O-CB 3.32Å; L33-R36 WeakPolarHBondContact O-CB 3.49Å; L33-R36 PolarHBondContact O-N 2.88Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 2.92Å; R36-S40 PolarHBondContact NH1-OG 3.32Å; R36-S40 PolarHBondContact O-N 2.75Å; R36-S40 PolarHBondContact O-OG 2.86Å; R36-F235 HydrophobicContact CG-CD2 4.35Å; R36-F235 HydrophobicContact CG-CE2 3.93Å; R36-F235 HydrophobicContact CG-CZ 4.32Å
37V97.7Very high96.6Very high0 Ų060.9 Ų60.90%029%0.285CS..Hα-helixtrans-67.6-46.7176.1174.30000111.3L33 L34 R39 S40 R41 L62 V65 E66 I69 F235L33-V37 PolarHBondContact O-N 2.75Å; L34-V37 CarbonylContact O-C 3.58Å; L34-V37 WeakPolarHBondContact O-CA 3.29Å; L34-V37 WeakPolarHBondContact O-CB 3.42Å; L34-V37 PolarHBondContact O-N 2.78Å; V37-R39 VanDerWaalsContact C-N 3.26Å; V37-R39 PolarHBondContact O-N 2.99Å; V37-S40 WeakPolarHBondContact O-CB 3.48Å; V37-S40 PolarHBondContact O-N 3.24Å; V37-R41 PolarHBondContact O-N 2.75Å; V37-L62 HydrophobicContact CG1-CB 4.01Å; V37-L62 HydrophobicContact CG1-CD1 4.38Å; V37-L62 HydrophobicContact CG1-CD2 4.22Å; V37-L62 HydrophobicContact CG1-CG 4.43Å; V37-V65 HydrophobicContact CG2-CG1 4.04Å; V37-E66 HydrophobicContact CB-CG 4.43Å; V37-E66 HydrophobicContact CG1-CG 3.8Å; V37-I69 HydrophobicContact CG2-CD1 3.77Å; V37-F235 HydrophobicContact CG2-CE1 4.4Å; V37-F235 HydrophobicContact CG2-CZ 3.86Å
38E97.7Very high96.8Very high109 Ų10962 Ų6251%0.50930%0.299SS..Hα-helixtrans-53.4-44.1175.6-73.3173.7172.700111.9L34 R41 A42L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 2.89Å; E38-R41 PolarHBondContact O-N 3.22Å; E38-A42 WeakPolarHBondContact O-CB 3.41Å; E38-A42 PolarHBondContact O-N 3.43Å
39R97.3Very high96.9Very high164 Ų16463.6 Ų63.662%0.61932%0.315SS*.Hα-helixtrans-63.4-43.7176.7-165.1-170.3-36.4-176.38.1112.3K35 V37 R41 A42 Y43K35-R39 PolarHBondContact O-N 2.93Å; V37-R39 VanDerWaalsContact C-N 3.26Å; V37-R39 PolarHBondContact O-N 2.99Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3Å; R39-A42 PolarHBondContact O-N 3.44Å; R39-Y43 PolarHBondContact O-N 2.84Å
40S96.7Very high97Very high18 Ų1867.5 Ų67.513%0.12634%0.34CS..Hα-helixtrans-61.6-41.6175.5-63.30000111.4R36 V37 Y43 Y44R36-S40 PolarHBondContact NH1-OG 3.32Å; R36-S40 PolarHBondContact O-N 2.75Å; R36-S40 PolarHBondContact O-OG 2.86Å; V37-S40 WeakPolarHBondContact O-CB 3.48Å; V37-S40 PolarHBondContact O-N 3.24Å; S40-Y43 PolarHBondContact O-N 3.18Å; S40-Y44 WeakPolarHBondContact O-CB 3.33Å; S40-Y44 PolarHBondContact O-N 2.96Å
41R97.6Very high97.1Very high46 Ų4671.9 Ų71.917%0.17436%0.36CS..Hα-helixtrans-65.3-46.3177.5-178.4-179.8-66.6116.91.9111.8V37 E38 R39 Y43 Y44 Y45 D59 L62 E66V37-R41 PolarHBondContact O-N 2.75Å; E38-R41 PolarHBondContact O-N 3.22Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3Å; R41-Y43 VanDerWaalsContact C-N 3.29Å; R41-Y43 PolarHBondContact O-N 2.93Å; R41-Y44 WeakPolarHBondContact O-CB 3.17Å; R41-Y44 PolarHBondContact O-N 3.31Å; R41-Y45 HydrophobicContact CG-CD2 3.63Å; R41-Y45 HydrophobicContact CG-CE2 3.41Å; R41-Y45 VanDerWaalsContact CG-CE2 3.41Å; R41-Y45 VanDerWaalsContact O-CD2 3.24Å; R41-Y45 WeakPolarHBondContact O-CD2 3.33Å; R41-Y45 PolarHBondContact O-N 3.24Å; R41-D59 WeakPolarHBondContact CD-OD1 3.33Å; R41-D59 IonicContact CZ-OD1 3.96Å; R41-D59 IonicContact NE-OD1 2.93Å; R41-D59 PolarHBondContact NE-OD1 3.11Å; R41-L62 HydrophobicContact CB-CD1 3.79Å; R41-E66 IonicContact CZ-OE1 3.19Å; R41-E66 IonicContact CZ-OE2 3.75Å; R41-E66 IonicContact NH1-OE1 2.7Å; R41-E66 PolarHBondContact NH1-OE1 2.99Å; R41-E66 IonicContact NH1-OE2 3.93Å; R41-E66 IonicContact NH2-OE1 2.79Å; R41-E66 PolarHBondContact NH2-OE1 2.92Å; R41-E66 IonicContact NH2-OE2 2.8Å; R41-E66 PolarHBondContact NH2-OE2 3.17Å
42A98Very high97.1Very high64 Ų6472 Ų7253%0.52936%0.356SS..Hα-helixtrans-59.4-42.9176.800000111.2E38 R39 Y45 S46E38-A42 WeakPolarHBondContact O-CB 3.41Å; E38-A42 PolarHBondContact O-N 3.43Å; R39-A42 PolarHBondContact O-N 3.44Å; A42-Y45 PolarHBondContact O-N 2.84Å; A42-S46 PolarHBondContact O-N 3.09Å; A42-S46 VanDerWaalsContact O-N 3.08Å
43Y97.5Very high97.1Very high158 Ų15876.2 Ų76.262%0.6237%0.374SS*.Hα-helixtrans-63.2-45.4174.8-176.3-117.1000111.9R39 S40 R41 Y45 S46 L47R39-Y43 PolarHBondContact O-N 2.84Å; S40-Y43 PolarHBondContact O-N 3.18Å; R41-Y43 VanDerWaalsContact C-N 3.29Å; R41-Y43 PolarHBondContact O-N 2.93Å; Y43-Y45 PolarHBondContact O-N 2.94Å; Y43-S46 WeakPolarHBondContact O-CB 3.12Å; Y43-S46 PolarHBondContact O-N 2.97Å; Y43-S46 PolarHBondContact O-OG 2.96Å; Y43-L47 HydrophobicContact CE1-CD2 4.17Å; Y43-L47 HydrophobicContact CE2-CD2 4.43Å; Y43-L47 PolarHBondContact O-N 2.81Å
44Y97.6Very high97.2Very high18 Ų1882.3 Ų82.37%0.07141%0.406CS..Hα-helixtrans-53.4-51.2174.4169.6-104.5000111.6S40 R41 S46 L47 H52 I55 F58 D59S40-Y44 WeakPolarHBondContact O-CB 3.33Å; S40-Y44 PolarHBondContact O-N 2.96Å; R41-Y44 WeakPolarHBondContact O-CB 3.17Å; R41-Y44 PolarHBondContact O-N 3.31Å; Y44-S46 PolarHBondContact O-N 2.96Å; Y44-L47 HydrophobicContact CD2-CD1 4.31Å; Y44-L47 VanDerWaalsContact O-CB 3.28Å; Y44-L47 WeakPolarHBondContact O-CB 3.42Å; Y44-L47 WeakPolarHBondContact O-CG 3.26Å; Y44-L47 PolarHBondContact O-N 3.14Å; Y44-H52 AromaticContact CE2-CD2 3.74Å; Y44-H52 AromaticContact CZ-CD2 3.82Å; Y44-H52 PolarHBondContact O-CD2 2.79Å; Y44-H52 PolarHBondContact O-NE2 2.8Å; Y44-I55 HydrophobicContact CD2-CD1 3.69Å; Y44-I55 HydrophobicContact CD2-CG1 4.49Å; Y44-I55 HydrophobicContact CE2-CD1 3.62Å; Y44-I55 HydrophobicContact CE2-CG1 3.92Å; Y44-F58 HydrophobicContact CD1-CD1 4.3Å; Y44-F58 HydrophobicContact CD2-CB 4.05Å; Y44-F58 AromaticContact CD2-CD1 3.54Å; Y44-F58 HydrophobicContact CD2-CD1 3.54Å; Y44-F58 HydrophobicContact CD2-CE1 4.27Å; Y44-F58 HydrophobicContact CD2-CG 4.01Å; Y44-F58 HydrophobicContact CE2-CB 3.88Å; Y44-F58 HydrophobicContact CE2-CD1 4.21Å; Y44-F58 HydrophobicContact CE2-CG 4.35Å; Y44-F58 AromaticContact CG-CD1 3.59Å; Y44-F58 HydrophobicContact CG-CD1 3.59Å; Y44-F58 HydrophobicContact CG-CE1 4.12Å; Y44-F58 HydrophobicContact CG-CG 4.48Å; Y44-D59 HydrophobicContact CD1-CB 4.33Å; Y44-D59 HydrophobicContact CE1-CB 3.98Å
45Y97.5Very high97.2Very high130 Ų13083 Ų8351%0.5141%0.409SS..Hα-helixtrans-67.2-19.3179.3-75.3-63.4000114.3R41 A42 Y43 L47 D59R41-Y45 HydrophobicContact CG-CD2 3.63Å; R41-Y45 HydrophobicContact CG-CE2 3.41Å; R41-Y45 VanDerWaalsContact CG-CE2 3.41Å; R41-Y45 VanDerWaalsContact O-CD2 3.24Å; R41-Y45 WeakPolarHBondContact O-CD2 3.33Å; R41-Y45 PolarHBondContact O-N 3.24Å; A42-Y45 PolarHBondContact O-N 2.84Å; Y43-Y45 PolarHBondContact O-N 2.94Å; Y45-L47 VanDerWaalsContact C-N 3.3Å; Y45-D59 VanDerWaalsContact OH-CG 3.3Å; Y45-D59 PolarHBondContact OH-OD2 3.31Å; Y45-D59 VanDerWaalsContact OH-OD2 3.05Å
46S97.8Very high97.1Very high83 Ų8385.4 Ų85.458%0.5842%0.415SS*.Hα-helixtrans-77.4-12.5172.778.20000114.1A42 Y43 Y44A42-S46 PolarHBondContact O-N 3.09Å; A42-S46 VanDerWaalsContact O-N 3.08Å; Y43-S46 WeakPolarHBondContact O-CB 3.12Å; Y43-S46 PolarHBondContact O-N 2.97Å; Y43-S46 PolarHBondContact O-OG 2.96Å; Y44-S46 PolarHBondContact O-N 2.96Å
47L98Very high97.1Very high35 Ų3586.4 Ų86.418%0.18342%0.424CS..SBendtrans-70.6154.6-179.7-60.4175.5000112.1Y43 Y44 Y45 H51 H52 I55Y43-L47 HydrophobicContact CE1-CD2 4.17Å; Y43-L47 HydrophobicContact CE2-CD2 4.43Å; Y43-L47 PolarHBondContact O-N 2.81Å; Y44-L47 HydrophobicContact CD2-CD1 4.31Å; Y44-L47 VanDerWaalsContact O-CB 3.28Å; Y44-L47 WeakPolarHBondContact O-CB 3.42Å; Y44-L47 WeakPolarHBondContact O-CG 3.26Å; Y44-L47 PolarHBondContact O-N 3.14Å; Y45-L47 VanDerWaalsContact C-N 3.3Å; L47-H51 HydrophobicContact CB-CB 4.29Å; L47-H52 PolarHBondContact O-CE1 2.89Å; L47-H52 PolarHBondContact O-NE2 2.99Å; L47-I55 HydrophobicContact CD1-CD1 4.16Å
48P98Very high97.1Very high71 Ų7188.9 Ų88.946%0.46144%0.435SS..  trans-58.9148.7172.1-23.534000112.5T50 H51 H52P48-T50 PolarHBondContact O-N 3.24Å; P48-T50 VanDerWaalsContact O-N 3.1Å; P48-H51 WeakPolarHBondContact O-CB 3.24Å; P48-H51 PolarHBondContact O-N 2.84Å; P48-H52 PolarHBondContact O-N 2.83Å
49S96.3Very high97Very high81 Ų8184.3 Ų84.357%0.56641%0.414SS*.Hα-helixtrans-60.2-25.2-179.863.60000114H51 K53S49-H51 VanDerWaalsContact C-N 3.34Å; S49-K53 WeakPolarHBondContact O-CG 3.36Å; S49-K53 PolarHBondContact O-N 3.14Å
50T97.9Very high97Very high88 Ų8880.5 Ų80.554%0.5441%0.406SS..Hα-helixtrans-64.4-38.3172.148.80000111.8P48P48-T50 PolarHBondContact O-N 3.24Å; P48-T50 VanDerWaalsContact O-N 3.1Å
51H97.9Very high97Very high95 Ų9580.9 Ų80.944%0.4441%0.406SS..Hα-helixtrans-74.8-39.2176.7-66.6-178.6000111.6L47 P48 S49 K53 L54 I55L47-H51 HydrophobicContact CB-CB 4.29Å; P48-H51 WeakPolarHBondContact O-CB 3.24Å; P48-H51 PolarHBondContact O-N 2.84Å; S49-H51 VanDerWaalsContact C-N 3.34Å; H51-K53 PolarHBondContact O-N 3.04Å; H51-L54 WeakPolarHBondContact O-CB 3.46Å; H51-L54 PolarHBondContact O-N 3.3Å; H51-I55 VanDerWaalsContact O-CG1 3.29Å; H51-I55 WeakPolarHBondContact O-CG1 3.22Å; H51-I55 PolarHBondContact O-N 3.12Å
52H96.1Very high97Very high44 Ų4478.7 Ų78.720%0.20440%0.398CS..Hα-helixtrans-54.3-38.2174.4-64.8154.5000112.4Y44 L47 P48 L54 I55 R56Y44-H52 AromaticContact CE2-CD2 3.74Å; Y44-H52 AromaticContact CZ-CD2 3.82Å; Y44-H52 PolarHBondContact O-CD2 2.79Å; Y44-H52 PolarHBondContact O-NE2 2.8Å; L47-H52 PolarHBondContact O-CE1 2.89Å; L47-H52 PolarHBondContact O-NE2 2.99Å; P48-H52 PolarHBondContact O-N 2.83Å; H52-L54 PolarHBondContact O-N 3.35Å; H52-I55 PolarHBondContact O-N 3.4Å; H52-R56 WeakPolarHBondContact O-CG 3.49Å; H52-R56 PolarHBondContact O-N 3.24Å
53K96.4Very high97Very high132 Ų13279.7 Ų79.757%0.57439%0.391SS*.THydrogen-bonded Turntrans-64.5-22.7177.6-71.9173.5-175.6178.40113.9S49 H51 R56S49-K53 WeakPolarHBondContact O-CG 3.36Å; S49-K53 PolarHBondContact O-N 3.14Å; H51-K53 PolarHBondContact O-N 3.04Å; K53-R56 WeakPolarHBondContact O-CG 3.21Å; K53-R56 PolarHBondContact O-NE 3.39Å
54L97.7Very high97Very high135 Ų13576.7 Ų76.771%0.70738%0.381SS*.THydrogen-bonded Turntrans-87.6-21-178.7-61.2175.6000113.4H51 H52H51-L54 WeakPolarHBondContact O-CB 3.46Å; H51-L54 PolarHBondContact O-N 3.3Å; H52-L54 PolarHBondContact O-N 3.35Å
55I96.1Very high97.1Very high67 Ų6775.9 Ų75.934%0.34438%0.377SS..SBendtrans-13747.7-173.149.4158.3000110.9Y44 L47 H51 H52 E57 F58Y44-I55 HydrophobicContact CD2-CD1 3.69Å; Y44-I55 HydrophobicContact CD2-CG1 4.49Å; Y44-I55 HydrophobicContact CE2-CD1 3.62Å; Y44-I55 HydrophobicContact CE2-CG1 3.92Å; L47-I55 HydrophobicContact CD1-CD1 4.16Å; H51-I55 VanDerWaalsContact O-CG1 3.29Å; H51-I55 WeakPolarHBondContact O-CG1 3.22Å; H51-I55 PolarHBondContact O-N 3.12Å; H52-I55 PolarHBondContact O-N 3.4Å; I55-E57 PolarHBondContact O-N 2.89Å; I55-F58 HydrophobicContact CB-CB 4.37Å; I55-F58 HydrophobicContact CD1-CB 4.41Å; I55-F58 WeakPolarHBondContact O-CB 3.35Å; I55-F58 PolarHBondContact O-N 3.25Å
56R94.8Very high97.1Very high164 Ų16471.8 Ų71.862%0.61936%0.363SS*.THydrogen-bonded Turntrans-61.7-30.4-169.9-60.9179.8-171.1-165.60.6112.6H52 K53 F58H52-R56 WeakPolarHBondContact O-CG 3.49Å; H52-R56 PolarHBondContact O-N 3.24Å; K53-R56 WeakPolarHBondContact O-CG 3.21Å; K53-R56 PolarHBondContact O-NE 3.39Å; R56-F58 PolarHBondContact O-N 3.12Å
57E95.5Very high97.1Very high113 Ų11375.3 Ų75.353%0.52837%0.368SS..THydrogen-bonded Turntrans-77.7-8.5-177.5-54.775-164.600112.2I55 D59 D60 N61I55-E57 PolarHBondContact O-N 2.89Å; E57-D59 PolarHBondContact O-N 2.78Å; E57-D60 PolarHBondContact O-N 2.93Å; E57-N61 WeakPolarHBondContact O-CB 3.33Å; E57-N61 VanDerWaalsContact O-CG 3.3Å; E57-N61 PolarHBondContact O-N 2.85Å; E57-N61 PolarHBondContact O-ND2 2.98Å
58F96.4Very high97.2Very high52 Ų5274.1 Ų74.123%0.22836%0.362CS..Hα-helixtrans-60.8-49.2-171.6-173.8-94.2000112.6Y44 I55 R56 D60 N61 L62Y44-F58 HydrophobicContact CD1-CD1 4.3Å; Y44-F58 HydrophobicContact CD2-CB 4.05Å; Y44-F58 AromaticContact CD2-CD1 3.54Å; Y44-F58 HydrophobicContact CD2-CD1 3.54Å; Y44-F58 HydrophobicContact CD2-CE1 4.27Å; Y44-F58 HydrophobicContact CD2-CG 4.01Å; Y44-F58 HydrophobicContact CE2-CB 3.88Å; Y44-F58 HydrophobicContact CE2-CD1 4.21Å; Y44-F58 HydrophobicContact CE2-CG 4.35Å; Y44-F58 AromaticContact CG-CD1 3.59Å; Y44-F58 HydrophobicContact CG-CD1 3.59Å; Y44-F58 HydrophobicContact CG-CE1 4.12Å; Y44-F58 HydrophobicContact CG-CG 4.48Å; I55-F58 HydrophobicContact CB-CB 4.37Å; I55-F58 HydrophobicContact CD1-CB 4.41Å; I55-F58 WeakPolarHBondContact O-CB 3.35Å; I55-F58 PolarHBondContact O-N 3.25Å; R56-F58 PolarHBondContact O-N 3.12Å; F58-D60 PolarHBondContact O-N 3.46Å; F58-N61 PolarHBondContact O-N 3.38Å; F58-L62 HydrophobicContact CD1-CD1 4.03Å; F58-L62 HydrophobicContact CD1-CG 4.26Å; F58-L62 HydrophobicContact CE1-CD1 3.58Å; F58-L62 HydrophobicContact CE1-CD2 4.39Å; F58-L62 HydrophobicContact CE1-CG 4Å; F58-L62 HydrophobicContact CZ-CD1 4.37Å; F58-L62 HydrophobicContact CZ-CD2 4.44Å; F58-L62 WeakPolarHBondContact O-CG 3.37Å; F58-L62 PolarHBondContact O-N 3.44Å
59D96Very high97.2Very high12 Ų1270.9 Ų70.96%0.06434%0.341CS..Hα-helixtrans-67-36.6179.5-175.859000112R41 Y44 Y45 E57 N61 L62 K63R41-D59 WeakPolarHBondContact CD-OD1 3.33Å; R41-D59 IonicContact CZ-OD1 3.96Å; R41-D59 IonicContact NE-OD1 2.93Å; R41-D59 PolarHBondContact NE-OD1 3.11Å; Y44-D59 HydrophobicContact CD1-CB 4.33Å; Y44-D59 HydrophobicContact CE1-CB 3.98Å; Y45-D59 VanDerWaalsContact OH-CG 3.3Å; Y45-D59 PolarHBondContact OH-OD2 3.31Å; Y45-D59 VanDerWaalsContact OH-OD2 3.05Å; E57-D59 PolarHBondContact O-N 2.78Å; D59-N61 VanDerWaalsContact C-N 3.32Å; D59-N61 PolarHBondContact O-N 3.2Å; D59-L62 WeakPolarHBondContact O-CB 3.29Å; D59-L62 PolarHBondContact O-N 3.44Å; D59-L62 VanDerWaalsContact O-N 3.15Å; D59-K63 WeakPolarHBondContact O-CG 3.33Å; D59-K63 PolarHBondContact O-N 2.9Å; D59-K63 WeakPolarHBondContact OD2-CE 3.41Å; D59-K63 IonicContact OD2-NZ 2.85Å; D59-K63 PolarHBondContact OD2-NZ 3.03Å
60D97Very high97.3Very high84 Ų8469.8 Ų69.845%0.44933%0.334SS..Hα-helixtrans-66.1-36.6175.7-71.9-19.2000112E57 F58 K63 K64E57-D60 PolarHBondContact O-N 2.93Å; F58-D60 PolarHBondContact O-N 3.46Å; D60-K63 PolarHBondContact O-N 2.74Å; D60-K63 IonicContact OD1-NZ 2.83Å; D60-K63 PolarHBondContact OD1-NZ 2.83Å; D60-K64 WeakPolarHBondContact O-CG 3.44Å; D60-K64 PolarHBondContact O-N 2.74Å; D60-K64 VanDerWaalsContact O-N 3.09Å
61N97.1Very high97.3Very high27 Ų2768.5 Ų68.514%0.14432%0.321CS..Hα-helixtrans-66.8-37.4171.6-71.9-29.4000111.8E57 F58 D59 K63 K64 V65 R241E57-N61 WeakPolarHBondContact O-CB 3.33Å; E57-N61 VanDerWaalsContact O-CG 3.3Å; E57-N61 PolarHBondContact O-N 2.85Å; E57-N61 PolarHBondContact O-ND2 2.98Å; F58-N61 PolarHBondContact O-N 3.38Å; D59-N61 VanDerWaalsContact C-N 3.32Å; D59-N61 PolarHBondContact O-N 3.2Å; N61-K63 VanDerWaalsContact C-N 3.34Å; N61-K63 PolarHBondContact O-N 3.12Å; N61-K64 PolarHBondContact O-N 2.8Å; N61-K64 PolarHBondContact OD1-NZ 2.86Å; N61-V65 WeakPolarHBondContact O-CG2 3.25Å; N61-V65 PolarHBondContact O-N 2.74Å; N61-R241 HydrophobicContact CB-CB 4.49Å; N61-R241 HydrophobicContact CB-CG 4.01Å
62L97.4Very high97.4Very high0 Ų064.1 Ų64.10%030%0.301CS..Hα-helixtrans-62.2-39.9172.2-68.1-173.8000112.2V37 R41 F58 D59 K64 V65 E66V37-L62 HydrophobicContact CG1-CB 4.01Å; V37-L62 HydrophobicContact CG1-CD1 4.38Å; V37-L62 HydrophobicContact CG1-CD2 4.22Å; V37-L62 HydrophobicContact CG1-CG 4.43Å; R41-L62 HydrophobicContact CB-CD1 3.79Å; F58-L62 HydrophobicContact CD1-CD1 4.03Å; F58-L62 HydrophobicContact CD1-CG 4.26Å; F58-L62 HydrophobicContact CE1-CD1 3.58Å; F58-L62 HydrophobicContact CE1-CD2 4.39Å; F58-L62 HydrophobicContact CE1-CG 4Å; F58-L62 HydrophobicContact CZ-CD1 4.37Å; F58-L62 HydrophobicContact CZ-CD2 4.44Å; F58-L62 WeakPolarHBondContact O-CG 3.37Å; F58-L62 PolarHBondContact O-N 3.44Å; D59-L62 WeakPolarHBondContact O-CB 3.29Å; D59-L62 PolarHBondContact O-N 3.44Å; D59-L62 VanDerWaalsContact O-N 3.15Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.45Å; L62-V65 WeakPolarHBondContact O-CB 3.47Å; L62-V65 PolarHBondContact O-N 3.07Å; L62-E66 WeakPolarHBondContact O-CG 3.43Å; L62-E66 PolarHBondContact O-N 2.84Å
63K98.1Very high97.4Very high85 Ų8564.4 Ų64.437%0.3730%0.304SS..Hα-helixtrans-62-37.6174.5-67.9169.7-166.1142.60112.3D59 D60 N61 E66 K67D59-K63 WeakPolarHBondContact O-CG 3.33Å; D59-K63 PolarHBondContact O-N 2.9Å; D59-K63 WeakPolarHBondContact OD2-CE 3.41Å; D59-K63 IonicContact OD2-NZ 2.85Å; D59-K63 PolarHBondContact OD2-NZ 3.03Å; D60-K63 PolarHBondContact O-N 2.74Å; D60-K63 IonicContact OD1-NZ 2.83Å; D60-K63 PolarHBondContact OD1-NZ 2.83Å; N61-K63 VanDerWaalsContact C-N 3.34Å; N61-K63 PolarHBondContact O-N 3.12Å; K63-E66 PolarHBondContact O-N 2.77Å; K63-K67 WeakPolarHBondContact O-CG 3.34Å; K63-K67 PolarHBondContact O-N 2.74Å
64K98.3Very high97.5Very high95 Ų9563.6 Ų63.641%0.41331%0.306SS..Hα-helixtrans-65.7-42.9174.4-65.8172-171.71680111D60 N61 L62 E66 K67 C68 M245D60-K64 WeakPolarHBondContact O-CG 3.44Å; D60-K64 PolarHBondContact O-N 2.74Å; D60-K64 VanDerWaalsContact O-N 3.09Å; N61-K64 PolarHBondContact O-N 2.8Å; N61-K64 PolarHBondContact OD1-NZ 2.86Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.45Å; K64-E66 VanDerWaalsContact C-N 3.32Å; K64-E66 PolarHBondContact O-N 3.45Å; K64-K67 WeakPolarHBondContact O-CB 3.42Å; K64-K67 PolarHBondContact O-N 2.86Å; K64-C68 PolarHBondContact O-N 2.84Å; K64-C68 VanDerWaalsContact O-N 3.16Å; K64-M245 VanDerWaalsContact C-SD 3.58Å; K64-M245 HydrophobicContact CB-CE 3.85Å; K64-M245 HydrophobicContact CB-SD 3.43Å; K64-M245 WeakPolarHBondContact CB-SD 3.5Å; K64-M245 HydrophobicContact CD-CE 3.99Å
65V98.2Very high97.5Very high0 Ų057.7 Ų57.70%028%0.275CS..Hα-helixtrans-59.7-42.2175.4172.60000111V37 N61 L62 K67 C68 I69 F235 M245V37-V65 HydrophobicContact CG2-CG1 4.04Å; N61-V65 WeakPolarHBondContact O-CG2 3.25Å; N61-V65 PolarHBondContact O-N 2.74Å; L62-V65 WeakPolarHBondContact O-CB 3.47Å; L62-V65 PolarHBondContact O-N 3.07Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 3.46Å; V65-C68 WeakPolarHBondContact O-CB 3.09Å; V65-C68 PolarHBondContact O-N 3.24Å; V65-C68 VanDerWaalsContact O-N 3.15Å; V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 HydrophobicContact CG1-CG1 4.37Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.28Å; V65-F235 HydrophobicContact CG1-CZ 4.37Å; V65-M245 HydrophobicContact CB-SD 4.45Å; V65-M245 HydrophobicContact CG2-CG 3.99Å; V65-M245 HydrophobicContact CG2-SD 3.7Å; V65-M245 PolarHBondContact N-SD 3.05Å
66E98.4Very high97.6Very high45 Ų4554.6 Ų54.621%0.2126%0.259CS..Hα-helixtrans-58.8-42.2175.7-72.6171.3155.100112.6L34 V37 R41 L62 K63 K64 C68 I69 S70L34-E66 HydrophobicContact CD2-CB 4.19Å; L34-E66 HydrophobicContact CD2-CG 3.86Å; V37-E66 HydrophobicContact CB-CG 4.43Å; V37-E66 HydrophobicContact CG1-CG 3.8Å; R41-E66 IonicContact CZ-OE1 3.19Å; R41-E66 IonicContact CZ-OE2 3.75Å; R41-E66 IonicContact NH1-OE1 2.7Å; R41-E66 PolarHBondContact NH1-OE1 2.99Å; R41-E66 IonicContact NH1-OE2 3.93Å; R41-E66 IonicContact NH2-OE1 2.79Å; R41-E66 PolarHBondContact NH2-OE1 2.92Å; R41-E66 IonicContact NH2-OE2 2.8Å; R41-E66 PolarHBondContact NH2-OE2 3.17Å; L62-E66 WeakPolarHBondContact O-CG 3.43Å; L62-E66 PolarHBondContact O-N 2.84Å; K63-E66 PolarHBondContact O-N 2.77Å; K64-E66 VanDerWaalsContact C-N 3.32Å; K64-E66 PolarHBondContact O-N 3.45Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 3.49Å; E66-I69 WeakPolarHBondContact O-CB 3.48Å; E66-I69 PolarHBondContact O-N 2.91Å; E66-I69 VanDerWaalsContact O-N 3.14Å; E66-S70 PolarHBondContact O-N 3.21Å; E66-S70 PolarHBondContact O-OG 2.74Å
67K98.6Very high97.7Very high156 Ų15649.4 Ų49.468%0.67825%0.251SS*.Hα-helixtrans-61-40.3175.5-68176.4-178-176.40112K63 K64 V65 S70 H71K63-K67 WeakPolarHBondContact O-CG 3.34Å; K63-K67 PolarHBondContact O-N 2.74Å; K64-K67 WeakPolarHBondContact O-CB 3.42Å; K64-K67 PolarHBondContact O-N 2.86Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 3.46Å; K67-S70 PolarHBondContact O-N 2.79Å; K67-H71 PolarHBondContact O-N 3.4Å
68C98.7Very high97.7Very high10 Ų1045.5 Ų45.57%0.06824%0.236CC..Hα-helixtrans-66.8-37.2174.9-62.30000112K64 V65 E66 H71 N72 Y229 I232K64-C68 PolarHBondContact O-N 2.84Å; K64-C68 VanDerWaalsContact O-N 3.16Å; V65-C68 WeakPolarHBondContact O-CB 3.09Å; V65-C68 PolarHBondContact O-N 3.24Å; V65-C68 VanDerWaalsContact O-N 3.15Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 3.49Å; C68-H71 PolarHBondContact O-N 3.45Å; C68-N72 PolarHBondContact O-N 2.86Å; C68-Y229 HydrophobicContact CB-CD1 4.27Å; C68-Y229 HydrophobicContact CB-CD2 3.69Å; C68-Y229 HydrophobicContact CB-CE2 4.12Å; C68-Y229 HydrophobicContact CB-CG 3.77Å; C68-I232 HydrophobicContact CB-CD1 4.5Å; C68-I232 HydrophobicContact CB-CG2 3.68Å
69I98.5Very high97.7Very high3 Ų343 Ų432%0.01523%0.226CC..Hα-helixtrans-62.6-47.4173.9-65.8164000110.4L33 L34 V37 V65 E66 H71 N72 N73 I232L33-I69 HydrophobicContact CB-CD1 3.72Å; L33-I69 HydrophobicContact CB-CG1 4.05Å; L33-I69 HydrophobicContact CB-CG2 4.15Å; L33-I69 HydrophobicContact CD1-CG1 4.2Å; L34-I69 HydrophobicContact CD2-CB 4.24Å; L34-I69 HydrophobicContact CD2-CD1 4.11Å; L34-I69 HydrophobicContact CD2-CG2 4Å; L34-I69 HydrophobicContact CG-CG2 3.9Å; V37-I69 HydrophobicContact CG2-CD1 3.77Å; V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 HydrophobicContact CG1-CG1 4.37Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.28Å; E66-I69 WeakPolarHBondContact O-CB 3.48Å; E66-I69 PolarHBondContact O-N 2.91Å; E66-I69 VanDerWaalsContact O-N 3.14Å; I69-H71 PolarHBondContact O-N 3.35Å; I69-N72 PolarHBondContact O-N 3.48Å; I69-N73 WeakPolarHBondContact O-CB 3.42Å; I69-N73 PolarHBondContact O-N 3.25Å; I69-I232 HydrophobicContact CB-CD1 4.31Å; I69-I232 HydrophobicContact CG1-CD1 3.71Å; I69-I232 HydrophobicContact CG1-CG1 4.47Å
70S98.3Very high97.6Very high59 Ų5942.7 Ų42.741%0.41322%0.224SC..Hα-helixtrans-58-46.8176.6-63.50000111.7E66 K67 N72 N73 D74E66-S70 PolarHBondContact O-N 3.21Å; E66-S70 PolarHBondContact O-OG 2.74Å; K67-S70 PolarHBondContact O-N 2.79Å; S70-N72 PolarHBondContact O-N 2.88Å; S70-N73 WeakPolarHBondContact O-CB 3.37Å; S70-N73 PolarHBondContact O-N 3.24Å; S70-N73 VanDerWaalsContact O-N 3.1Å; S70-D74 PolarHBondContact O-N 3.39Å
71H98.7Very high97.5Very high60 Ų6046.2 Ų46.228%0.27824%0.235SC..Hα-helixtrans-56.7-47.5176178.3100000112.3K67 C68 I69 N73 D74 L75 K227 Y229K67-H71 PolarHBondContact O-N 3.4Å; C68-H71 PolarHBondContact O-N 3.45Å; I69-H71 PolarHBondContact O-N 3.35Å; H71-N73 VanDerWaalsContact C-N 3.29Å; H71-N73 PolarHBondContact O-N 2.89Å; H71-D74 PolarHBondContact O-N 3.01Å; H71-L75 PolarHBondContact O-N 2.86Å; H71-K227 PolarHBondContact NE2-O 3.1Å; H71-Y229 HydrophobicContact CB-CD2 4.21Å; H71-Y229 HydrophobicContact CB-CE2 3.86Å; H71-Y229 AromaticContact CD2-CD2 3.81Å; H71-Y229 AromaticContact CD2-CE2 3.65Å; H71-Y229 AromaticContact CG-CE2 3.63Å
72N98.4Very high97.2Very high3 Ų348 Ų482%0.01624%0.243CC..Hα-helixtrans-64.2-35.4177.4-78.212.3000112C68 I69 S70 L75 I76 L228 Y229 I232C68-N72 PolarHBondContact O-N 2.86Å; I69-N72 PolarHBondContact O-N 3.48Å; S70-N72 PolarHBondContact O-N 2.88Å; N72-L75 PolarHBondContact O-N 2.67Å; N72-I76 WeakPolarHBondContact O-CB 3.42Å; N72-I76 VanDerWaalsContact O-CG1 3.3Å; N72-I76 WeakPolarHBondContact O-CG1 3.47Å; N72-I76 PolarHBondContact O-N 2.86Å; N72-L228 HydrophobicContact CB-CD1 4.43Å; N72-L228 WeakPolarHBondContact OD1-CD1 3.47Å; N72-Y229 PolarHBondContact ND2-O 3.42Å; N72-Y229 WeakPolarHBondContact OD1-CD2 3.26Å; N72-Y229 PolarHBondContact OD1-N 2.82Å; N72-I232 HydrophobicContact CB-CD1 4.3Å; N72-I232 WeakPolarHBondContact ND2-CD1 3.37Å
73N97.7Very high96.9Very high51 Ų5148 Ų4827%0.27324%0.243SC..Hα-helixtrans-66-40.1178.6-155.862.6000111.6G30 I69 S70 H71 I76 A77G30-N73 WeakPolarHBondContact CA-OD1 3.26Å; I69-N73 WeakPolarHBondContact O-CB 3.42Å; I69-N73 PolarHBondContact O-N 3.25Å; S70-N73 WeakPolarHBondContact O-CB 3.37Å; S70-N73 PolarHBondContact O-N 3.24Å; S70-N73 VanDerWaalsContact O-N 3.1Å; H71-N73 VanDerWaalsContact C-N 3.29Å; H71-N73 PolarHBondContact O-N 2.89Å; N73-I76 PolarHBondContact O-N 3.41Å; N73-A77 WeakPolarHBondContact O-CB 3.45Å; N73-A77 PolarHBondContact O-N 2.84Å
74D98.1Very high96.4Very high114 Ų11444.2 Ų44.261%0.6123%0.227SC*.Hα-helixtrans-64.1-41.9173.8-64-22.3000111.3S70 H71 A77 S78S70-D74 PolarHBondContact O-N 3.39Å; H71-D74 PolarHBondContact O-N 3.01Å; D74-A77 PolarHBondContact O-N 2.92Å; D74-S78 PolarHBondContact O-N 3.3Å
75L98.1Very high95.7Very high11 Ų1142.1 Ų42.16%0.05822%0.223CC..Hα-helixtrans-62.5-45.5174.4176.761.9000111.8H71 N72 A77 S78 I79 F215 Y226 L228 F250H71-L75 PolarHBondContact O-N 2.86Å; N72-L75 PolarHBondContact O-N 2.67Å; L75-A77 VanDerWaalsContact C-N 3.31Å; L75-A77 PolarHBondContact O-N 3.21Å; L75-S78 CarbonylContact O-C 3.33Å; L75-S78 WeakPolarHBondContact O-CA 3.5Å; L75-S78 VanDerWaalsContact O-CB 3.32Å; L75-S78 WeakPolarHBondContact O-CB 3.37Å; L75-S78 PolarHBondContact O-N 3.13Å; L75-S78 VanDerWaalsContact O-N 3.1Å; L75-I79 HydrophobicContact CD1-CD1 4.43Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 4.05Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 3.05Å; L75-F215 HydrophobicContact CD1-CE1 4.34Å; L75-F215 HydrophobicContact CD1-CZ 4.4Å; L75-Y226 HydrophobicContact CD1-CD1 3.86Å; L75-Y226 HydrophobicContact CD1-CG 4.29Å; L75-L228 HydrophobicContact CD2-CB 4.1Å; L75-L228 HydrophobicContact CD2-CD1 3.88Å; L75-F250 HydrophobicContact CD1-CZ 4.1Å; L75-F250 HydrophobicContact CD2-CE1 3.81Å; L75-F250 HydrophobicContact CD2-CZ 3.85Å
76I97.7Very high95Very high3 Ų346.7 Ų46.72%0.01525%0.248CC..Hα-helixtrans-59.9-42.9176.2-74.1162.8000110.9F26 F29 N72 N73 S78 I79 I80 L137F26-I76 HydrophobicContact CB-CG2 3.77Å; F26-I76 HydrophobicContact CD1-CG2 4.21Å; F26-I76 HydrophobicContact CG-CG2 4.46Å; F29-I76 HydrophobicContact CD1-CD1 4.08Å; N72-I76 WeakPolarHBondContact O-CB 3.42Å; N72-I76 VanDerWaalsContact O-CG1 3.3Å; N72-I76 WeakPolarHBondContact O-CG1 3.47Å; N72-I76 PolarHBondContact O-N 2.86Å; N73-I76 PolarHBondContact O-N 3.41Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 2.93Å; I76-I79 PolarHBondContact O-N 3.43Å; I76-I80 HydrophobicContact CG2-CD1 3.89Å; I76-I80 HydrophobicContact CG2-CG1 4.48Å; I76-I80 WeakPolarHBondContact O-CG1 3.49Å; I76-I80 PolarHBondContact O-N 3.08Å; I76-L137 HydrophobicContact CD1-CD1 4.3Å; I76-L137 HydrophobicContact CD1-CD2 4.42Å; I76-L137 HydrophobicContact CG1-CD2 4.29Å
77A96.2Very high94.2Very high54 Ų5446.7 Ų46.745%0.44625%0.249SC..Hα-helixtrans-60.4-39.8175.300000111.4N73 D74 L75 K81N73-A77 WeakPolarHBondContact O-CB 3.45Å; N73-A77 PolarHBondContact O-N 2.84Å; D74-A77 PolarHBondContact O-N 2.92Å; L75-A77 VanDerWaalsContact C-N 3.31Å; L75-A77 PolarHBondContact O-N 3.21Å; A77-K81 VanDerWaalsContact O-CB 3.27Å; A77-K81 WeakPolarHBondContact O-CB 3.33Å; A77-K81 PolarHBondContact O-N 3.45Å
78S96.4Very high92.9Very high31 Ų3142.5 Ų42.522%0.21723%0.23CC..Hα-helixtrans-63.5-46.3173.4-169.90000112.3D74 L75 I76 I80 K81 H82D74-S78 PolarHBondContact O-N 3.3Å; L75-S78 CarbonylContact O-C 3.33Å; L75-S78 WeakPolarHBondContact O-CA 3.5Å; L75-S78 VanDerWaalsContact O-CB 3.32Å; L75-S78 WeakPolarHBondContact O-CB 3.37Å; L75-S78 PolarHBondContact O-N 3.13Å; L75-S78 VanDerWaalsContact O-N 3.1Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 2.93Å; S78-I80 PolarHBondContact O-N 3.31Å; S78-K81 PolarHBondContact O-N 2.82Å; S78-H82 PolarHBondContact O-N 3.36Å; S78-H82 VanDerWaalsContact O-N 3.14Å; S78-H82 PolarHBondContact O-ND1 2.91Å; S78-H82 PolarHBondContact OG-CE1 2.86Å; S78-H82 PolarHBondContact OG-ND1 3.14Å
79I96.3Very high91Very high1 Ų148.6 Ų48.61%0.00526%0.263CS..Hα-helixtrans-55.5-52176.5-70162.3000110L75 I76 K81 H82 S83 F140 I211 F215L75-I79 HydrophobicContact CD1-CD1 4.43Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 4.05Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 3.05Å; I76-I79 PolarHBondContact O-N 3.43Å; I79-K81 VanDerWaalsContact C-N 3.33Å; I79-K81 PolarHBondContact O-N 2.88Å; I79-H82 PolarHBondContact O-N 3.09Å; I79-S83 WeakPolarHBondContact O-CB 3.36Å; I79-S83 PolarHBondContact O-N 3.3Å; I79-S83 PolarHBondContact O-OG 2.94Å; I79-S83 VanDerWaalsContact O-OG 3.13Å; I79-F140 HydrophobicContact CD1-CE1 4.41Å; I79-F140 HydrophobicContact CD1-CE2 4.36Å; I79-F140 HydrophobicContact CD1-CZ 3.66Å; I79-I211 HydrophobicContact CG2-CG2 3.72Å; I79-F215 HydrophobicContact CB-CB 4.41Å; I79-F215 HydrophobicContact CB-CD2 4.47Å; I79-F215 HydrophobicContact CB-CG 4.23Å; I79-F215 HydrophobicContact CD1-CD1 4.44Å; I79-F215 HydrophobicContact CG1-CB 4.22Å; I79-F215 HydrophobicContact CG1-CD1 3.57Å; I79-F215 HydrophobicContact CG1-CD2 4.17Å; I79-F215 HydrophobicContact CG1-CE1 3.87Å; I79-F215 HydrophobicContact CG1-CE2 4.43Å; I79-F215 HydrophobicContact CG1-CG 3.72Å; I79-F215 HydrophobicContact CG1-CZ 4.27Å; I79-F215 HydrophobicContact CG2-CB 4.01Å; I79-F215 HydrophobicContact CG2-CG 4.38Å
80I94.5Very high88.8Confident5 Ų550.3 Ų50.33%0.02628%0.28CS..Hα-helixtrans-59.9-45179.4-69.1168.7000111.1L23 F26 R27 I76 S78 H82 S83 A84L23-I80 HydrophobicContact CD2-CG1 4Å; L23-I80 HydrophobicContact CD2-CG2 4.09Å; F26-I80 HydrophobicContact CB-CD1 3.85Å; R27-I80 HydrophobicContact CG-CD1 3.6Å; I76-I80 HydrophobicContact CG2-CD1 3.89Å; I76-I80 HydrophobicContact CG2-CG1 4.48Å; I76-I80 WeakPolarHBondContact O-CG1 3.49Å; I76-I80 PolarHBondContact O-N 3.08Å; S78-I80 PolarHBondContact O-N 3.31Å; I80-H82 VanDerWaalsContact C-N 3.26Å; I80-H82 PolarHBondContact O-N 3.33Å; I80-S83 PolarHBondContact O-N 2.89Å; I80-A84 HydrophobicContact CG2-CB 4.24Å; I80-A84 WeakPolarHBondContact O-CB 3.44Å; I80-A84 PolarHBondContact O-N 3.38Å
81K93.4Very high86.5Confident157 Ų15755 Ų5568%0.68330%0.296SS*.Hα-helixtrans-58.3-38.2-178-179.5-175.7174.9-172.10112.4A77 S78 I79 P85A77-K81 VanDerWaalsContact O-CB 3.27Å; A77-K81 WeakPolarHBondContact O-CB 3.33Å; A77-K81 PolarHBondContact O-N 3.45Å; S78-K81 PolarHBondContact O-N 2.82Å; I79-K81 VanDerWaalsContact C-N 3.33Å; I79-K81 PolarHBondContact O-N 2.88Å; K81-P85 WeakPolarHBondContact O-CD 3.45Å
82H91.9Very high84.1Confident66 Ų6654.9 Ų54.931%0.30630%0.296SS..Hα-helixtrans-90.7-30.4-177-63.292.5000113.2S78 I79 I80 F215 T219S78-H82 PolarHBondContact O-N 3.36Å; S78-H82 VanDerWaalsContact O-N 3.14Å; S78-H82 PolarHBondContact O-ND1 2.91Å; S78-H82 PolarHBondContact OG-CE1 2.86Å; S78-H82 PolarHBondContact OG-ND1 3.14Å; I79-H82 PolarHBondContact O-N 3.09Å; I80-H82 VanDerWaalsContact C-N 3.26Å; I80-H82 PolarHBondContact O-N 3.33Å; H82-F215 HydrophobicContact CB-CD2 4.07Å; H82-F215 AromaticContact ND1-CE2 3.97Å; H82-T219 HydrophobicContact CB-CG2 4.24Å
83S91.1Very high81.6Confident0 Ų056.8 Ų56.80%031%0.312CS..Hα-helixtrans-89.9-37.8-177.7-53.90000113.9I79 I80 D86 I87 I211 F215I79-S83 WeakPolarHBondContact O-CB 3.36Å; I79-S83 PolarHBondContact O-N 3.3Å; I79-S83 PolarHBondContact O-OG 2.94Å; I79-S83 VanDerWaalsContact O-OG 3.13Å; I80-S83 PolarHBondContact O-N 2.89Å; S83-D86 PolarHBondContact O-N 3.11Å; S83-I87 WeakPolarHBondContact O-CG1 3.15Å; S83-I87 PolarHBondContact O-N 2.97Å; S83-I211 WeakPolarHBondContact CB-O 3.45Å; S83-I211 PolarHBondContact OG-O 3.39Å; S83-F215 PolarHBondContact OG-N 3.36Å
84A86Confident79Confident5 Ų559.6 Ų59.64%0.04133%0.334CS..Hα-helixtrans-64-38.9-169.600000114.9F19 L23 I80 D86 L96F19-A84 HydrophobicContact CZ-CB 4.01Å; L23-A84 HydrophobicContact CD1-CB 3.92Å; L23-A84 HydrophobicContact CD2-CB 4.27Å; I80-A84 HydrophobicContact CG2-CB 4.24Å; I80-A84 WeakPolarHBondContact O-CB 3.44Å; I80-A84 PolarHBondContact O-N 3.38Å; A84-D86 VanDerWaalsContact C-N 3.31Å; A84-D86 PolarHBondContact O-N 3.43Å; A84-L96 HydrophobicContact CB-CD1 3.92Å
85P85.4Confident76.7Confident51 Ų5159.5 Ų59.533%0.33133%0.33SS..Hα-helixtrans-61.2-38.8178.7-24.235.4000113K81 N89 G90K81-P85 WeakPolarHBondContact O-CD 3.45Å; P85-N89 CarbonylContact O-C 3.57Å; P85-N89 PolarHBondContact O-N 2.86Å; P85-G90 PolarHBondContact O-N 2.82Å
86D82.3Confident74.3Confident96 Ų9660.1 Ų60.151%0.51333%0.333SS..Hα-helixtrans-89.4-23-170.7-65.2-38.7000113.5S83 A84 Y214S83-D86 PolarHBondContact O-N 3.11Å; A84-D86 VanDerWaalsContact C-N 3.31Å; A84-D86 PolarHBondContact O-N 3.43Å; D86-Y214 HydrophobicContact CB-CE1 4.18Å; D86-Y214 HydrophobicContact CB-CE2 3.81Å; D86-Y214 VanDerWaalsContact CB-CZ 3.44Å; D86-Y214 WeakPolarHBondContact CB-OH 3.3Å; D86-Y214 VanDerWaalsContact CG-OH 3.27Å; D86-Y214 PolarHBondContact OD2-OH 3.4Å
87I81.9Confident71.7Confident45 Ų4565.6 Ų65.623%0.23136%0.362CS..Hα-helixtrans-75.1-34.3178.7-65.2172.5000111.9F19 S83 I211 Y214F19-I87 HydrophobicContact CE2-CB 4.37Å; F19-I87 HydrophobicContact CE2-CG2 4.14Å; S83-I87 WeakPolarHBondContact O-CG1 3.15Å; S83-I87 PolarHBondContact O-N 2.97Å; I87-I211 HydrophobicContact CD1-CG1 3.93Å; I87-Y214 HydrophobicContact CD1-CD2 4.45Å; I87-Y214 HydrophobicContact CD1-CG 4.31Å; I87-Y214 HydrophobicContact CG1-CD2 4.01Å; I87-Y214 HydrophobicContact CG1-CG 4.29Å
88F70.9Confident69Low67 Ų6766.4 Ų66.429%0.29438%0.376SS..THydrogen-bonded Turntrans-127.340.3179.7-84.4-87.5000112.7F19 G90 L207F19-F88 HydrophobicContact CB-CD2 3.94Å; F19-F88 HydrophobicContact CB-CE2 3.53Å; F19-F88 HydrophobicContact CB-CZ 3.98Å; F19-F88 HydrophobicContact CD1-CB 4.29Å; F19-F88 AromaticContact CD1-CD2 3.55Å; F19-F88 HydrophobicContact CD1-CD2 3.55Å; F19-F88 HydrophobicContact CD1-CE2 4.07Å; F19-F88 HydrophobicContact CD1-CG 4.02Å; F19-F88 AromaticContact CD2-CD2 3.38Å; F19-F88 HydrophobicContact CD2-CD2 3.38Å; F19-F88 AromaticContact CD2-CE2 3.41Å; F19-F88 HydrophobicContact CD2-CE2 3.41Å; F19-F88 VanDerWaalsContact CD2-CE2 3.41Å; F19-F88 HydrophobicContact CE1-CB 3.99Å; F19-F88 AromaticContact CE1-CD2 3.72Å; F19-F88 HydrophobicContact CE1-CD2 3.72Å; F19-F88 HydrophobicContact CE1-CG 4.15Å; F19-F88 AromaticContact CE2-CD2 3.59Å; F19-F88 HydrophobicContact CE2-CD2 3.59Å; F19-F88 HydrophobicContact CE2-CE2 4.04Å; F19-F88 AromaticContact CG-CD2 3.34Å; F19-F88 HydrophobicContact CG-CD2 3.34Å; F19-F88 AromaticContact CG-CE2 3.41Å; F19-F88 HydrophobicContact CG-CE2 3.41Å; F19-F88 VanDerWaalsContact CG-CE2 3.41Å; F19-F88 HydrophobicContact CG-CG 4.22Å; F19-F88 HydrophobicContact CG-CZ 4.3Å; F19-F88 HydrophobicContact CZ-CB 4.34Å; F19-F88 AromaticContact CZ-CD2 3.72Å; F19-F88 HydrophobicContact CZ-CD2 3.72Å; F19-F88 HydrophobicContact CZ-CG 4.46Å; F88-G90 VanDerWaalsContact C-N 3.31Å; F88-G90 PolarHBondContact O-N 2.88Å; F88-G90 VanDerWaalsContact O-N 3.1Å; F88-L207 HydrophobicContact CE2-CD2 4.33Å
89N58.9Low66.5Low139 Ų13967.4 Ų67.474%0.74338%0.381SS*.THydrogen-bonded Turntrans55.428.2168.5-78.4-11000117.5P85 E91P85-N89 CarbonylContact O-C 3.57Å; P85-N89 PolarHBondContact O-N 2.86Å; N89-E91 PolarHBondContact O-N 3.13Å
90G53.2Low63.7Low38 Ų3871.3 Ų71.339%0.39241%0.405SS..THydrogen-bonded Turntrans64.4-7.6170.700000116.4P85 F88 H92 A93P85-G90 PolarHBondContact O-N 2.82Å; F88-G90 VanDerWaalsContact C-N 3.31Å; F88-G90 PolarHBondContact O-N 2.88Å; F88-G90 VanDerWaalsContact O-N 3.1Å; G90-H92 PolarHBondContact O-N 3.02Å; G90-A93 PolarHBondContact O-N 3.02Å
91E49.2Very low60.7Low158 Ų15873.5 Ų73.574%0.73843%0.428SS*.THydrogen-bonded Turntrans-59.8-19.7-173.6-74.9-171.4153.200112.7N89N89-E91 PolarHBondContact O-N 3.13Å
92H49.4Very low57.7Low58 Ų5870.7 Ų70.727%0.26943%0.429SS..THydrogen-bonded Turntrans-124.918.8-175.7-53.9-81.5000114.2H16 G90 C94 E95 L96H16-H92 AromaticContact CE1-CD2 3.32Å; H16-H92 PolarHBondContact CE1-CD2 3.32Å; H16-H92 AromaticContact CE1-CG 3.39Å; H16-H92 AromaticContact CE1-ND1 3.88Å; H16-H92 AromaticContact CE1-NE2 3.77Å; H16-H92 AromaticContact ND1-CD2 3.81Å; G90-H92 PolarHBondContact O-N 3.02Å; H92-C94 PolarHBondContact O-N 3.33Å; H92-C94 VanDerWaalsContact O-N 3.07Å; H92-E95 HydrophobicContact CB-CB 4.41Å; H92-E95 IonicContact CE1-OE1 2.79Å; H92-E95 IonicContact CG-OE1 3.85Å; H92-E95 IonicContact ND1-OE1 2.83Å; H92-E95 PolarHBondContact ND1-OE1 3.29Å; H92-E95 PolarHBondContact O-N 3.1Å; H92-L96 PolarHBondContact O-N 2.68Å
93A44.7Very low54.9Low43 Ų4373 Ų7336%0.35545%0.45SS..Hα-helixtrans-53.9-29.617200000112.1G90 N97G90-A93 PolarHBondContact O-N 3.02Å; A93-N97 PolarHBondContact O-N 2.88Å; A93-N97 PolarHBondContact O-ND2 2.9Å
94C44.5Very low51.9Low109 Ų10980.6 Ų80.674%0.73649%0.49SS*.Hα-helixtrans-68.9-35.9174.9-73.20000113.9H92 L96 N97H92-C94 PolarHBondContact O-N 3.33Å; H92-C94 VanDerWaalsContact O-N 3.07Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-N97 PolarHBondContact O-N 3.42Å
95E47.9Very low49.3Very low113 Ų11384 Ų8453%0.52853%0.525SS..Hα-helixtrans-72.9-30.6178-67.7178-149.900111.6H16 H92 N97 G98H16-E95 IonicContact NE2-OE2 2.84Å; H92-E95 HydrophobicContact CB-CB 4.41Å; H92-E95 IonicContact CE1-OE1 2.79Å; H92-E95 IonicContact CG-OE1 3.85Å; H92-E95 IonicContact ND1-OE1 2.83Å; H92-E95 PolarHBondContact ND1-OE1 3.29Å; H92-E95 PolarHBondContact O-N 3.1Å; E95-N97 PolarHBondContact O-N 3.48Å; E95-G98 PolarHBondContact O-N 3.36Å
96L49.4Very low46.5Very low23 Ų2388 Ų8812%0.1255%0.55CS..Hα-helixtrans-67.3-23.9172.6-70.6169.4000113.4L23 R27 A84 H92 C94 T99L23-L96 HydrophobicContact CB-CD2 4.35Å; L23-L96 HydrophobicContact CD1-CD1 4.02Å; L23-L96 HydrophobicContact CD1-CD2 3.46Å; L23-L96 VanDerWaalsContact CD1-CD2 3.46Å; L23-L96 HydrophobicContact CD1-CG 4.36Å; R27-L96 PolarHBondContact NH1-O 2.9Å; R27-L96 PolarHBondContact NH2-O 3.25Å; A84-L96 HydrophobicContact CB-CD1 3.92Å; H92-L96 PolarHBondContact O-N 2.68Å; C94-L96 VanDerWaalsContact C-N 3.32Å; L96-T99 PolarHBondContact O-OG1 3.28Å
97N42.2Very low44.1Very low118 Ų11891.5 Ų91.563%0.63157%0.568SS**Hα-helixtrans-80.8-18.8177.4-73.4-22000113.2A93 C94 E95 T99A93-N97 PolarHBondContact O-N 2.88Å; A93-N97 PolarHBondContact O-ND2 2.9Å; C94-N97 PolarHBondContact O-N 3.42Å; E95-N97 PolarHBondContact O-N 3.48Å; N97-T99 PolarHBondContact O-N 2.9Å; N97-T99 VanDerWaalsContact O-N 3.1Å
98G40.5Very low41.7Very low72 Ų7297.4 Ų97.474%0.74260%0.599SS**THydrogen-bonded Turntrans-68.2-4.4175.400000114.7E95E95-G98 PolarHBondContact O-N 3.36Å
99T43.4Very low39.8Very low52 Ų52101.3 Ų101.332%0.31962%0.623SS.*THydrogen-bonded Turntrans-12610.5-174.944.40000114R27 L96 N97R27-T99 PolarHBondContact NH1-OG1 2.84Å; L96-T99 PolarHBondContact O-OG1 3.28Å; N97-T99 PolarHBondContact O-N 2.9Å; N97-T99 VanDerWaalsContact O-N 3.1Å
100V37.4Very low38.4Very low82 Ų82101.2 Ų101.250%0.49762%0.623SS.*  trans-123.2103.3175.1-174.80000109S102V100-S102 PolarHBondContact O-N 3.45Å
101G31.9Very low37.3Very low51 Ų51106 Ų10653%0.52664%0.64SS.*  trans-57119.9166.600000109.5
102S30.1Very low36.5Very low99 Ų99108.2 Ų108.269%0.69265%0.649SS**  trans-62.7129.2179-166.70000110.4V100 N104V100-S102 PolarHBondContact O-N 3.45Å; S102-N104 PolarHBondContact O-N 3.4Å
103P32.2Very low35.5Very low115 Ų115111.4 Ų111.475%0.74767%0.673SS**SBendtrans-85.264.1175.635.8-32000108.7
104N27.7Very low35Very low158 Ų158116.6 Ų116.685%0.84570%0.7SS**  trans-158.586.4169.9-91.4-28000110.1S102S102-N104 PolarHBondContact O-N 3.4Å
105G31.4Very low34.4Very low76 Ų76113.7 Ų113.778%0.78469%0.688SS**  trans-150.884.117000000108.6D107G105-D107 PolarHBondContact O-N 3.25Å
106T28Very low33.8Very low137 Ų137114.4 Ų114.484%0.8470%0.703SS**  trans-62.6111.7160.442.50000108
107D30.4Very low33.7Very low168 Ų168123.3 Ų123.390%0.89874%0.735SS**  trans-152.8114.1150.6-98.4-29.5000111.4G105 N109G105-D107 PolarHBondContact O-N 3.25Å; D107-N109 PolarHBondContact O-N 2.94Å
108L32.6Very low33.9Very low170 Ų170125.2 Ų125.289%0.8974%0.74SS**  trans-77.2101.4166.6-74.5143.7000107.9
109N30.3Very low34.2Very low149 Ų149130.8 Ų130.880%0.79774%0.744SS**  trans175.8130.9139.1-98.7-24.8000114.5D107D107-N109 PolarHBondContact O-N 2.94Å
110N30.7Very low34.8Very low137 Ų137131.3 Ų131.373%0.73374%0.744SS**  trans66.4128.3147.3-79.2-10.7000123.1
111N29.4Very low35.9Very low139 Ų139128 Ų12874%0.74373%0.727SS**  trans84114.2145.9-72.1-10.7000119.6T113N111-T113 PolarHBondContact O-N 3.08Å
112H31.8Very low37.3Very low203 Ų203131 Ų13194%0.9474%0.737SS**  trans-50.495.8162.9-78.6-75.5000112.4
113T30Very low39.3Very low125 Ų125128.2 Ų128.277%0.76771%0.712SS**  trans-130.5120.8151.443.80000106.8N111 G115N111-T113 PolarHBondContact O-N 3.08Å; T113-G115 PolarHBondContact O-N 2.99Å
114V33.3Very low41.2Very low153 Ų153127 Ų12793%0.92771%0.712SS**  trans-63.6100.3174.7177.30000106.6
115G32Very low43.6Very low47 Ų47121.1 Ų121.149%0.48568%0.679SS.*  trans-58.2158.2177.700000111.6T113 R117T113-G115 PolarHBondContact O-N 2.99Å; G115-R117 PolarHBondContact O-N 3.04Å; G115-R117 VanDerWaalsContact O-N 3.16Å
116P35.9Very low45.9Very low128 Ų128120.9 Ų120.983%0.83166%0.663SS**  trans-59.4123.6179.126.6-31.5000108.2E118P116-E118 PolarHBondContact O-N 2.76Å
117R45.8Very low48.6Very low211 Ų211119.6 Ų119.680%0.79665%0.651SS**  trans-43.2117.9174.8-81.5178161.7156.40.2108.9G115 K119G115-R117 PolarHBondContact O-N 3.04Å; G115-R117 VanDerWaalsContact O-N 3.16Å; R117-K119 PolarHBondContact O-N 2.48Å
118E46.9Very low51.3Low157 Ų157115.8 Ų115.873%0.73463%0.633SS**  trans-50.3117.7171.6-77.4-179.8151.500108P116 I120P116-E118 PolarHBondContact O-N 2.76Å; E118-I120 PolarHBondContact O-N 3.34Å; E118-I120 VanDerWaalsContact O-N 3.13Å
119K47.8Very low54.1Low190 Ų190108.9 Ų108.983%0.82660%0.597SS**  trans-67.5112.3173.6-76.4-175.2176.8-178.30106.5R117 G121R117-K119 PolarHBondContact O-N 2.48Å; K119-G121 PolarHBondContact O-N 3.22Å
120I54.9Low57.1Low62 Ų62101.8 Ų101.832%0.31856%0.559SS.*  trans-75.960.6177.1-55.5166.9000108.7F28 P31 E118F28-I120 HydrophobicContact CB-CG2 4.14Å; F28-I120 HydrophobicContact CD2-CB 4.02Å; F28-I120 HydrophobicContact CD2-CD1 3.55Å; F28-I120 HydrophobicContact CD2-CG1 4.37Å; F28-I120 HydrophobicContact CD2-CG2 3.91Å; F28-I120 HydrophobicContact CE2-CD1 3.77Å; P31-I120 HydrophobicContact CB-CD1 3.82Å; P31-I120 HydrophobicContact CG-CD1 3.91Å; E118-I120 PolarHBondContact O-N 3.34Å; E118-I120 VanDerWaalsContact O-N 3.13Å
121G60Low60.1Low14 Ų1498.3 Ų98.314%0.14454%0.54CS..SBendtrans82.8178.3-174.300000114.8K119 F123K119-G121 PolarHBondContact O-N 3.22Å; G121-F123 VanDerWaalsContact C-N 3.26Å; G121-F123 PolarHBondContact O-N 2.97Å
122P62.6Low63.2Low114 Ų11496.2 Ų96.274%0.7453%0.525SS*.SBendtrans-79.3-4.9-177.632.6-35.8000113.8
123F71.4Confident66.3Low39 Ų3986.6 Ų86.617%0.17148%0.48CS..PPolyproline II helixtrans-94.5138.7-168.3-53-75.3000112.7H17 V20 K21 G121 F125H17-F123 AromaticContact CE1-CE1 3.54Å; H17-F123 AromaticContact NE2-CE1 3.61Å; V20-F123 HydrophobicContact CG1-CE2 3.98Å; V20-F123 HydrophobicContact CG1-CZ 4.15Å; K21-F123 HydrophobicContact CB-CD1 4.28Å; K21-F123 HydrophobicContact CB-CE1 4.01Å; K21-F123 HydrophobicContact CB-CE2 4.48Å; K21-F123 HydrophobicContact CB-CZ 4.12Å; K21-F123 HydrophobicContact CD-CD1 4.45Å; K21-F123 HydrophobicContact CG-CD1 4.06Å; K21-F123 HydrophobicContact CG-CE1 4.29Å; K21-F123 HydrophobicContact CG-CG 4.29Å; G121-F123 VanDerWaalsContact C-N 3.26Å; G121-F123 PolarHBondContact O-N 2.97Å; F123-F125 HydrophobicContact CB-CE1 3.91Å; F123-F125 HydrophobicContact CB-CE2 4.1Å; F123-F125 HydrophobicContact CB-CZ 3.61Å; F123-F125 HydrophobicContact CD2-CZ 4.26Å; F123-F125 HydrophobicContact CG-CZ 4.31Å
124A73.1Confident69.5Low91 Ų9183.5 Ų83.575%0.75245%0.454SS*.PPolyproline II helixtrans-86.2123.7160.700000108.6
125F78Confident72.5Confident34 Ų3479 Ų7915%0.14943%0.43CS..PPolyproline II helixtrans-97.2134.6176.5-61.3-69.7000110.9K21 S24 A25 F28 F123 E129 M130K21-F125 HydrophobicContact CG-CE1 4.49Å; S24-F125 VanDerWaalsContact C-CZ 3.43Å; A25-F125 HydrophobicContact CB-CD1 3.96Å; A25-F125 HydrophobicContact CB-CE1 3.71Å; A25-F125 HydrophobicContact CB-CZ 4.49Å; F28-F125 HydrophobicContact CB-CD2 3.73Å; F28-F125 HydrophobicContact CB-CE2 3.74Å; F28-F125 HydrophobicContact CD1-CB 3.81Å; F28-F125 AromaticContact CD1-CD2 3.35Å; F28-F125 HydrophobicContact CD1-CD2 3.35Å; F28-F125 HydrophobicContact CD1-CE2 4.24Å; F28-F125 AromaticContact CD1-CG 3.83Å; F28-F125 HydrophobicContact CD1-CG 3.83Å; F28-F125 HydrophobicContact CD2-CD2 4.29Å; F28-F125 HydrophobicContact CE1-CB 4.03Å; F28-F125 HydrophobicContact CE1-CD2 4.01Å; F28-F125 HydrophobicContact CE1-CG 4.44Å; F28-F125 AromaticContact CG-CD2 3.52Å; F28-F125 HydrophobicContact CG-CD2 3.52Å; F28-F125 AromaticContact CG-CE2 3.96Å; F28-F125 HydrophobicContact CG-CE2 3.96Å; F28-F125 HydrophobicContact CG-CG 4.37Å; F123-F125 HydrophobicContact CB-CE1 3.91Å; F123-F125 HydrophobicContact CB-CE2 4.1Å; F123-F125 HydrophobicContact CB-CZ 3.61Å; F123-F125 HydrophobicContact CD2-CZ 4.26Å; F123-F125 HydrophobicContact CG-CZ 4.31Å; F125-E129 HydrophobicContact CD1-CB 4.24Å; F125-E129 HydrophobicContact CD1-CG 4.33Å; F125-M130 HydrophobicContact CB-CE 4.11Å; F125-M130 HydrophobicContact CD1-CE 4.35Å; F125-M130 HydrophobicContact CG-CE 4.19Å
126T79.3Confident75.6Confident71 Ų7176.8 Ų76.844%0.43641%0.406SS..PPolyproline II helixtrans-90.3173.6172.375.80000110.2T128 E129T126-T128 PolarHBondContact O-N 3.44Å; T126-T128 VanDerWaalsContact OG1-CB 3.3Å; T126-T128 WeakPolarHBondContact OG1-CB 3.35Å; T126-T128 PolarHBondContact OG1-N 2.96Å; T126-T128 VanDerWaalsContact OG1-N 3.11Å; T126-T128 PolarHBondContact OG1-OG1 3.16Å; T126-E129 WeakPolarHBondContact CA-OE2 3.19Å; T126-E129 VanDerWaalsContact CB-OE2 3.3Å; T126-E129 WeakPolarHBondContact CB-OE2 3.48Å; T126-E129 PolarHBondContact N-OE2 3.35Å; T126-E129 PolarHBondContact OG1-OE2 2.88Å
127N84.3Confident78.6Confident110 Ų11070.8 Ų70.859%0.58837%0.368SS*.Hα-helixtrans-61.9-28.8170.3-68.1-33.4000111.4M130 D131N127-M130 PolarHBondContact O-N 3.21Å; N127-D131 WeakPolarHBondContact O-CB 3.33Å; N127-D131 PolarHBondContact O-N 3.35Å
128T87Confident81Confident87 Ų8762.7 Ų62.753%0.53434%0.338SS..Hα-helixtrans-62.5-45.9-179.7-50.10000112.4T126 M130 D131 K132T126-T128 PolarHBondContact O-N 3.44Å; T126-T128 VanDerWaalsContact OG1-CB 3.3Å; T126-T128 WeakPolarHBondContact OG1-CB 3.35Å; T126-T128 PolarHBondContact OG1-N 2.96Å; T126-T128 VanDerWaalsContact OG1-N 3.11Å; T126-T128 PolarHBondContact OG1-OG1 3.16Å; T128-M130 VanDerWaalsContact C-N 3.31Å; T128-M130 PolarHBondContact O-N 3.19Å; T128-D131 PolarHBondContact O-N 2.96Å; T128-K132 PolarHBondContact O-N 2.93Å
129E90.7Very high83.5Confident25 Ų2555.5 Ų55.512%0.11730%0.304CS..Hα-helixtrans-63.5-38.8175.3-73.891.2177.400111.9K21 A25 F125 T126 D131 K132 V133K21-E129 VanDerWaalsContact CE-OE1 3.27Å; K21-E129 WeakPolarHBondContact CE-OE1 3.49Å; K21-E129 IonicContact NZ-OE1 2.84Å; K21-E129 PolarHBondContact NZ-OE1 2.89Å; A25-E129 HydrophobicContact CB-CB 4.25Å; F125-E129 HydrophobicContact CD1-CB 4.24Å; F125-E129 HydrophobicContact CD1-CG 4.33Å; T126-E129 WeakPolarHBondContact CA-OE2 3.19Å; T126-E129 VanDerWaalsContact CB-OE2 3.3Å; T126-E129 WeakPolarHBondContact CB-OE2 3.48Å; T126-E129 PolarHBondContact N-OE2 3.35Å; T126-E129 PolarHBondContact OG1-OE2 2.88Å; E129-D131 VanDerWaalsContact C-N 3.3Å; E129-D131 PolarHBondContact O-N 2.92Å; E129-K132 PolarHBondContact O-N 3.18Å; E129-V133 PolarHBondContact O-N 2.86Å
130M94.3Very high85.9Confident1 Ų146.5 Ų46.51%0.00527%0.265CS..Hα-helixtrans-68.3-31.7177.8-60.5-62.595.800112.3A25 F28 F29 H32 F125 N127 T128 R134A25-M130 HydrophobicContact CB-CE 4.04Å; A25-M130 WeakPolarHBondContact O-CE 3.45Å; F28-M130 HydrophobicContact CB-CE 4.5Å; F28-M130 HydrophobicContact CD1-CE 4Å; F28-M130 HydrophobicContact CD1-SD 3.78Å; F28-M130 HydrophobicContact CE1-SD 4.44Å; F29-M130 HydrophobicContact CB-SD 4.38Å; F29-M130 HydrophobicContact CD2-CB 4.4Å; F29-M130 HydrophobicContact CD2-SD 4.03Å; F29-M130 WeakPolarHBondContact CE2-O 3.34Å; H32-M130 HydrophobicContact CB-CG 4.33Å; H32-M130 HydrophobicContact CB-SD 3.73Å; F125-M130 HydrophobicContact CB-CE 4.11Å; F125-M130 HydrophobicContact CD1-CE 4.35Å; F125-M130 HydrophobicContact CG-CE 4.19Å; N127-M130 PolarHBondContact O-N 3.21Å; T128-M130 VanDerWaalsContact C-N 3.31Å; T128-M130 PolarHBondContact O-N 3.19Å; M130-R134 WeakPolarHBondContact O-CB 3.21Å; M130-R134 PolarHBondContact O-N 3.46Å
131D93.1Very high88Confident64 Ų6443.9 Ų43.934%0.34225%0.252SS..Hα-helixtrans-67.8-39.9173.5-66.9-17.1000110.8N127 T128 E129 R134 S135N127-D131 WeakPolarHBondContact O-CB 3.33Å; N127-D131 PolarHBondContact O-N 3.35Å; T128-D131 PolarHBondContact O-N 2.96Å; E129-D131 VanDerWaalsContact C-N 3.3Å; E129-D131 PolarHBondContact O-N 2.92Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 IonicContact OD1-CZ 2.78Å; D131-R134 IonicContact OD1-NH1 2.75Å; D131-R134 PolarHBondContact OD1-NH1 3.3Å; D131-R134 IonicContact OD1-NH2 3.69Å; D131-R134 PolarHBondContact OD1-NH2 3.37Å; D131-S135 WeakPolarHBondContact O-CB 3.08Å; D131-S135 PolarHBondContact O-N 2.89Å; D131-S135 PolarHBondContact O-OG 3.41Å; D131-S135 VanDerWaalsContact O-OG 3.12Å
132K95.2Very high89.8Confident95 Ų9543.5 Ų43.541%0.41325%0.246SC..Hα-helixtrans-60.9-46.6172.6-69.6-177177.8-173.80112.2T128 E129 R134 S135 A136 Y208T128-K132 PolarHBondContact O-N 2.93Å; E129-K132 PolarHBondContact O-N 3.18Å; K132-R134 VanDerWaalsContact C-N 3.33Å; K132-R134 PolarHBondContact O-N 2.83Å; K132-S135 PolarHBondContact O-N 3.39Å; K132-A136 PolarHBondContact O-N 3.25Å; K132-Y208 HydrophobicContact CB-CD1 3.73Å; K132-Y208 HydrophobicContact CB-CD2 4.22Å; K132-Y208 HydrophobicContact CB-CE1 3.71Å; K132-Y208 HydrophobicContact CB-CE2 4.23Å; K132-Y208 HydrophobicContact CB-CG 3.99Å; K132-Y208 HydrophobicContact CD-CD2 4.05Å; K132-Y208 HydrophobicContact CD-CE2 3.75Å
133V96.9Very high91.5Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-60.7-44.1174.9179.90000110.8A25 F26 F29 E129 S135 A136 L137 Y208A25-V133 HydrophobicContact CB-CG2 4.21Å; F26-V133 HydrophobicContact CD1-CG1 3.71Å; F26-V133 HydrophobicContact CD1-CG2 4.32Å; F26-V133 HydrophobicContact CE1-CG1 3.96Å; F26-V133 HydrophobicContact CG-CG1 4.43Å; F26-V133 HydrophobicContact CG-CG2 4.31Å; F29-V133 HydrophobicContact CB-CB 4.36Å; F29-V133 HydrophobicContact CB-CG1 3.73Å; F29-V133 HydrophobicContact CD1-CG1 3.95Å; F29-V133 HydrophobicContact CD2-CB 3.83Å; F29-V133 HydrophobicContact CD2-CG1 3.74Å; F29-V133 HydrophobicContact CE2-CB 4.34Å; F29-V133 HydrophobicContact CE2-CG1 4.32Å; F29-V133 HydrophobicContact CG-CB 4.13Å; F29-V133 HydrophobicContact CG-CG1 3.52Å; E129-V133 PolarHBondContact O-N 2.86Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 3.45Å; V133-A136 PolarHBondContact O-N 2.91Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 3.49Å; V133-Y208 HydrophobicContact CG2-CD1 4.11Å; V133-Y208 HydrophobicContact CG2-CE1 3.73Å
134R96.8Very high92.8Very high60 Ų6036.3 Ų36.323%0.22620%0.203CC..Hα-helixtrans-60.9-43.8177.8-165.7-175.3-48.511311.7111.7F29 M130 D131 K132 L137 K138F29-R134 HydrophobicContact CE2-CB 3.99Å; F29-R134 HydrophobicContact CZ-CB 4Å; F29-R134 HydrophobicContact CZ-CG 4.23Å; M130-R134 WeakPolarHBondContact O-CB 3.21Å; M130-R134 PolarHBondContact O-N 3.46Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 IonicContact OD1-CZ 2.78Å; D131-R134 IonicContact OD1-NH1 2.75Å; D131-R134 PolarHBondContact OD1-NH1 3.3Å; D131-R134 IonicContact OD1-NH2 3.69Å; D131-R134 PolarHBondContact OD1-NH2 3.37Å; K132-R134 VanDerWaalsContact C-N 3.33Å; K132-R134 PolarHBondContact O-N 2.83Å; R134-L137 PolarHBondContact O-N 2.88Å; R134-K138 WeakPolarHBondContact O-CG 3.33Å; R134-K138 PolarHBondContact O-N 3.42Å
135S96.2Very high94.1Very high59 Ų5932 Ų3241%0.41317%0.168SC..Hα-helixtrans-61.7-45.1176.3-67.10000111.3D131 K132 V133 L137 K138 Q139D131-S135 WeakPolarHBondContact O-CB 3.08Å; D131-S135 PolarHBondContact O-N 2.89Å; D131-S135 PolarHBondContact O-OG 3.41Å; D131-S135 VanDerWaalsContact O-OG 3.12Å; K132-S135 PolarHBondContact O-N 3.39Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 3.45Å; S135-L137 VanDerWaalsContact C-N 3.33Å; S135-L137 PolarHBondContact O-N 3.03Å; S135-K138 PolarHBondContact O-N 2.81Å; S135-K138 VanDerWaalsContact O-N 3.11Å; S135-Q139 WeakPolarHBondContact O-CG 3.37Å; S135-Q139 PolarHBondContact O-N 3.25Å
136A97.4Very high95Very high0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-57.8-43.2175.200000112.4F26 K132 V133 K138 Q139 F140 Y208F26-A136 HydrophobicContact CE1-CB 4.35Å; F26-A136 HydrophobicContact CZ-CB 4.16Å; K132-A136 PolarHBondContact O-N 3.25Å; V133-A136 PolarHBondContact O-N 2.91Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-K138 PolarHBondContact O-N 3.34Å; A136-Q139 WeakPolarHBondContact O-CB 3.36Å; A136-Q139 PolarHBondContact O-N 3.37Å; A136-F140 WeakPolarHBondContact O-CD2 3.32Å; A136-Y208 VanDerWaalsContact CB-O 3.24Å; A136-Y208 WeakPolarHBondContact CB-O 3.3Å
137L97.7Very high95.9Very high3 Ų335.1 Ų35.12%0.01618%0.183CC..Hα-helixtrans-63.6-38.6175.6-67.5-177.6000112.6F29 I76 V133 R134 S135 Q139 F140 L228F29-L137 HydrophobicContact CD1-CD1 3.91Å; F29-L137 HydrophobicContact CE1-CD1 3.42Å; F29-L137 VanDerWaalsContact CE1-CD1 3.42Å; F29-L137 HydrophobicContact CZ-CD1 4.16Å; I76-L137 HydrophobicContact CD1-CD1 4.3Å; I76-L137 HydrophobicContact CD1-CD2 4.42Å; I76-L137 HydrophobicContact CG1-CD2 4.29Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 3.49Å; R134-L137 PolarHBondContact O-N 2.88Å; S135-L137 VanDerWaalsContact C-N 3.33Å; S135-L137 PolarHBondContact O-N 3.03Å; L137-Q139 VanDerWaalsContact C-N 3.26Å; L137-Q139 PolarHBondContact O-N 2.96Å; L137-F140 HydrophobicContact CD2-CE2 4.41Å; L137-F140 WeakPolarHBondContact O-CB 3.35Å; L137-F140 PolarHBondContact O-N 3.18Å; L137-L228 HydrophobicContact CB-CD2 4.22Å; L137-L228 HydrophobicContact CD1-CD1 4.49Å; L137-L228 HydrophobicContact CD2-CD1 3.97Å; L137-L228 HydrophobicContact CD2-CD2 4.44Å; L137-L228 WeakPolarHBondContact O-CD2 3.19Å
138K98.2Very high96.5Very high40 Ų4030 Ų3017%0.17416%0.157CC..Hα-helixtrans-68.2-27.5175.8-66.1178166.8-165.40112.6R134 S135 A136 F140 V141 R142 W231 T362R134-K138 WeakPolarHBondContact O-CG 3.33Å; R134-K138 PolarHBondContact O-N 3.42Å; S135-K138 PolarHBondContact O-N 2.81Å; S135-K138 VanDerWaalsContact O-N 3.11Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-K138 PolarHBondContact O-N 3.34Å; K138-F140 PolarHBondContact O-N 2.92Å; K138-V141 VanDerWaalsContact O-CB 3.26Å; K138-V141 WeakPolarHBondContact O-CB 3.24Å; K138-V141 WeakPolarHBondContact O-CG2 3.21Å; K138-V141 PolarHBondContact O-N 2.83Å; K138-R142 PolarHBondContact O-N 3.04Å; K138-W231 HydrophobicContact CB-CZ3 4.38Å; K138-W231 HydrophobicContact CD-CE3 4.44Å; K138-W231 HydrophobicContact CD-CZ3 3.81Å; K138-W231 HydrophobicContact CG-CE3 4.26Å; K138-W231 HydrophobicContact CG-CZ3 3.7Å; K138-T362 HydrophobicContact CB-CG2 4.32Å
139Q98.4Very high97Very high6 Ų630.3 Ų30.33%0.02815%0.151CC..Hα-helixtrans-64.2-27.8176-69.4-74.240.100113.4S135 A136 L137 V141 R142 D143 L186 M209 Y361 T362S135-Q139 WeakPolarHBondContact O-CG 3.37Å; S135-Q139 PolarHBondContact O-N 3.25Å; A136-Q139 WeakPolarHBondContact O-CB 3.36Å; A136-Q139 PolarHBondContact O-N 3.37Å; L137-Q139 VanDerWaalsContact C-N 3.26Å; L137-Q139 PolarHBondContact O-N 2.96Å; Q139-V141 PolarHBondContact O-N 3.31Å; Q139-R142 PolarHBondContact O-N 3.13Å; Q139-R142 VanDerWaalsContact OE1-CD 3.25Å; Q139-D143 PolarHBondContact O-N 2.85Å; Q139-L186 VanDerWaalsContact C-CD1 3.42Å; Q139-L186 HydrophobicContact CB-CD1 3.61Å; Q139-L186 HydrophobicContact CB-CD2 4.46Å; Q139-L186 HydrophobicContact CB-CG 3.8Å; Q139-M209 HydrophobicContact CG-CE 3.84Å; Q139-M209 HydrophobicContact CG-SD 3.94Å; Q139-Y361 PolarHBondContact NE2-OH 2.92Å; Q139-T362 HydrophobicContact CG-CG2 4.23Å
140F98.6Very high97.3Very high2 Ų233.1 Ų33.11%0.00917%0.171CC..Hα-helixtrans-56.1-37.9171.4-77.7-100.5000111.5I79 A136 L137 K138 W144 S145 L186 P212 I216 L228 F250I79-F140 HydrophobicContact CD1-CE1 4.41Å; I79-F140 HydrophobicContact CD1-CE2 4.36Å; I79-F140 HydrophobicContact CD1-CZ 3.66Å; A136-F140 WeakPolarHBondContact O-CD2 3.32Å; L137-F140 HydrophobicContact CD2-CE2 4.41Å; L137-F140 WeakPolarHBondContact O-CB 3.35Å; L137-F140 PolarHBondContact O-N 3.18Å; K138-F140 PolarHBondContact O-N 2.92Å; F140-W144 CarbonylContact O-C 3.59Å; F140-W144 WeakPolarHBondContact O-CA 3.27Å; F140-W144 PolarHBondContact O-N 2.99Å; F140-S145 PolarHBondContact O-N 3.04Å; F140-L186 HydrophobicContact CD2-CD1 4.05Å; F140-L186 HydrophobicContact CE2-CD1 4.44Å; F140-L186 HydrophobicContact CG-CD1 4.17Å; F140-P212 HydrophobicContact CE2-CB 3.65Å; F140-P212 HydrophobicContact CE2-CG 4.12Å; F140-P212 HydrophobicContact CZ-CB 3.63Å; F140-P212 HydrophobicContact CZ-CG 4.38Å; F140-I216 HydrophobicContact CD1-CD1 3.63Å; F140-I216 HydrophobicContact CD1-CG1 4.22Å; F140-I216 HydrophobicContact CE1-CD1 3.48Å; F140-I216 VanDerWaalsContact CE1-CD1 3.48Å; F140-I216 HydrophobicContact CE1-CG1 3.71Å; F140-I216 HydrophobicContact CG-CD1 4.44Å; F140-I216 HydrophobicContact CZ-CD1 4.19Å; F140-I216 HydrophobicContact CZ-CG1 4.5Å; F140-L228 HydrophobicContact CB-CD2 3.85Å; F140-L228 HydrophobicContact CD2-CD2 4.27Å; F140-L228 HydrophobicContact CG-CD2 4.14Å; F140-F250 HydrophobicContact CD1-CD1 4.1Å; F140-F250 AromaticContact CD1-CD2 3.65Å; F140-F250 HydrophobicContact CD1-CD2 3.65Å; F140-F250 AromaticContact CD1-CE1 3.94Å; F140-F250 HydrophobicContact CD1-CE1 3.94Å; F140-F250 AromaticContact CD1-CE2 3.47Å; F140-F250 HydrophobicContact CD1-CE2 3.47Å; F140-F250 VanDerWaalsContact CD1-CE2 3.47Å; F140-F250 AromaticContact CD1-CG 3.96Å; F140-F250 HydrophobicContact CD1-CG 3.96Å; F140-F250 AromaticContact CD1-CZ 3.61Å; F140-F250 HydrophobicContact CD1-CZ 3.61Å; F140-F250 HydrophobicContact CE1-CD2 4.01Å; F140-F250 HydrophobicContact CE1-CE1 4.32Å; F140-F250 AromaticContact CE1-CE2 3.39Å; F140-F250 HydrophobicContact CE1-CE2 3.39Å; F140-F250 AromaticContact CE1-CZ 3.56Å; F140-F250 HydrophobicContact CE1-CZ 3.56Å
141V98.5Very high97.5Very high7 Ų734.2 Ų34.24%0.04218%0.176CC..Hα-helixtrans-64.2-53.3177.9-168.70000110K138 Q139 S145 E147 G148 P230 W231 V248K138-V141 VanDerWaalsContact O-CB 3.26Å; K138-V141 WeakPolarHBondContact O-CB 3.24Å; K138-V141 WeakPolarHBondContact O-CG2 3.21Å; K138-V141 PolarHBondContact O-N 2.83Å; Q139-V141 PolarHBondContact O-N 3.31Å; V141-S145 WeakPolarHBondContact O-CB 3.41Å; V141-S145 PolarHBondContact O-N 3.25Å; V141-E147 HydrophobicContact CG1-CB 3.98Å; V141-G148 WeakPolarHBondContact O-CA 3.41Å; V141-G148 PolarHBondContact O-N 2.84Å; V141-P230 HydrophobicContact CG2-CB 3.66Å; V141-P230 HydrophobicContact CG2-CG 3.53Å; V141-W231 HydrophobicContact CG1-CZ2 4.2Å; V141-W231 HydrophobicContact CG2-CH2 4.22Å; V141-W231 HydrophobicContact CG2-CZ2 4.1Å; V141-V248 HydrophobicContact CB-CG1 4.45Å; V141-V248 HydrophobicContact CG1-CG1 4.22Å; V141-V248 HydrophobicContact CG1-CG2 4.46Å; V141-V248 HydrophobicContact CG2-CG1 4.13Å; V141-V248 HydrophobicContact CG2-CG2 4.27Å
142R98.4Very high97.7Very high5 Ų531.6 Ų31.62%0.01916%0.161CC..Hα-helixtrans-58.5-53.4-178.3177.2-173.7166.289.42.8111K138 Q139 E151 R152 C155 Y156 T362K138-R142 PolarHBondContact O-N 3.04Å; Q139-R142 PolarHBondContact O-N 3.13Å; Q139-R142 VanDerWaalsContact OE1-CD 3.25Å; R142-E151 WeakPolarHBondContact CD-OE1 3.34Å; R142-E151 VanDerWaalsContact CG-OE1 3.24Å; R142-E151 WeakPolarHBondContact CG-OE1 3.36Å; R142-E151 IonicContact CZ-OE1 3.99Å; R142-E151 IonicContact NE-OE1 2.88Å; R142-E151 IonicContact NH1-OE1 3.84Å; R142-E151 PolarHBondContact NH1-OE1 3.04Å; R142-R152 WeakPolarHBondContact O-CD 3.5Å; R142-R152 WeakPolarHBondContact O-CG 3.27Å; R142-R152 PolarHBondContact O-NH1 3.38Å; R142-C155 PolarHBondContact NH2-SG 3.18Å; R142-Y156 PolarHBondContact NE-OH 2.68Å; R142-Y156 PolarHBondContact NH2-OH 2.81Å; R142-T362 HydrophobicContact CB-CG2 4.13Å
143D98.7Very high97.9Very high2 Ų230 Ų301%0.01116%0.158CC..Hα-helixtrans-88.7-31.2-166.4-8816.6000113.6Q139 Y156 L186 R188Q139-D143 PolarHBondContact O-N 2.85Å; D143-Y156 PolarHBondContact OD1-OH 3Å; D143-L186 HydrophobicContact CB-CB 3.9Å; D143-L186 HydrophobicContact CB-CD1 4.48Å; D143-L186 WeakPolarHBondContact OD2-CB 3.35Å; D143-L186 PolarHBondContact OD2-N 2.92Å; D143-R188 HydrophobicContact CB-CB 3.66Å; D143-R188 HydrophobicContact CB-CG 4.5Å; D143-R188 WeakPolarHBondContact O-CB 3.26Å; D143-R188 WeakPolarHBondContact O-CD 3.5Å; D143-R188 WeakPolarHBondContact O-CG 3.29Å; D143-R188 PolarHBondContact O-NH1 3.28Å
144W98.8Very high97.9Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-134.914.9-167-67.4103.1000114.2F140 L186 R188 W191 I216 L217 F250 P251 D252 V253 P255F140-W144 CarbonylContact O-C 3.59Å; F140-W144 WeakPolarHBondContact O-CA 3.27Å; F140-W144 PolarHBondContact O-N 2.99Å; W144-L186 PolarHBondContact NE1-O 3.31Å; W144-R188 HydrophobicContact CZ2-CB 4.36Å; W144-W191 HydrophobicContact CH2-CB 4.01Å; W144-W191 AromaticContact CH2-CD2 3.88Å; W144-W191 HydrophobicContact CH2-CD2 3.88Å; W144-W191 HydrophobicContact CH2-CE3 4.32Å; W144-W191 AromaticContact CH2-CG 3.71Å; W144-W191 HydrophobicContact CH2-CG 3.71Å; W144-W191 HydrophobicContact CZ2-CB 4.31Å; W144-W191 HydrophobicContact CZ2-CG 4.45Å; W144-W191 HydrophobicContact CZ3-CD2 4.37Å; W144-I216 HydrophobicContact CB-CD1 4.36Å; W144-I216 HydrophobicContact CD2-CG2 3.54Å; W144-I216 HydrophobicContact CE3-CG2 4.04Å; W144-I216 HydrophobicContact CG-CD1 3.89Å; W144-I216 HydrophobicContact CG-CG2 3.77Å; W144-I216 HydrophobicContact CH2-CG2 4.46Å; W144-I216 HydrophobicContact CZ2-CG2 4.04Å; W144-I216 HydrophobicContact CZ3-CG2 4.45Å; W144-L217 HydrophobicContact CH2-CD2 3.86Å; W144-L217 HydrophobicContact CZ2-CD2 3.54Å; W144-F250 HydrophobicContact CB-CB 4.29Å; W144-F250 VanDerWaalsContact O-CB 3.27Å; W144-F250 WeakPolarHBondContact O-CB 3.45Å; W144-P251 HydrophobicContact CB-CB 4.36Å; W144-P251 HydrophobicContact CD2-CB 4.47Å; W144-P251 HydrophobicContact CE3-CB 3.8Å; W144-P251 CarbonylContact O-C 3.57Å; W144-P251 VanDerWaalsContact O-CA 3.24Å; W144-P251 WeakPolarHBondContact O-CA 3.37Å; W144-D252 VanDerWaalsContact C-OD1 3.27Å; W144-D252 PolarHBondContact O-N 3.4Å; W144-V253 HydrophobicContact CE3-CG2 4.11Å; W144-V253 HydrophobicContact CZ3-CG2 3.72Å; W144-P255 HydrophobicContact CE3-CG 4.32Å; W144-P255 HydrophobicContact CH2-CB 4.12Å; W144-P255 HydrophobicContact CH2-CG 4.14Å; W144-P255 HydrophobicContact CZ3-CB 4.21Å; W144-P255 HydrophobicContact CZ3-CG 3.79Å
145S98.5Very high97.9Very high0 Ų030.1 Ų30.10%016%0.162CC..SBendtrans-119.8154.3172.4-153.70000112.9F140 V141 E147 G148 R152 V248 Y249F140-S145 PolarHBondContact O-N 3.04Å; V141-S145 WeakPolarHBondContact O-CB 3.41Å; V141-S145 PolarHBondContact O-N 3.25Å; S145-E147 WeakPolarHBondContact CB-OE2 3.3Å; S145-E147 PolarHBondContact O-N 2.98Å; S145-E147 PolarHBondContact OG-OE2 2.79Å; S145-G148 PolarHBondContact O-N 2.92Å; S145-G148 VanDerWaalsContact O-N 3.1Å; S145-R152 PolarHBondContact O-NH1 3.12Å; S145-V248 WeakPolarHBondContact OG-CG1 3.29Å; S145-Y249 PolarHBondContact OG-O 3.48Å
146V98.1Very high98Very high82 Ų8228.2 Ų28.250%0.49715%0.146SC..G310 helixtrans-63.5-31.5175.867.90000111.4G148 K149 D252V146-G148 PolarHBondContact O-N 2.81Å; V146-K149 WeakPolarHBondContact O-CB 3.29Å; V146-K149 PolarHBondContact O-N 3.15Å; V146-D252 HydrophobicContact CB-CB 4.33Å
147E97.1Very high98Very high89 Ų8931.6 Ų31.642%0.41616%0.162SC..G310 helixtrans-63.8-27.3175.9-66.479.1-179.800112.4V141 S145 K149 P150V141-E147 HydrophobicContact CG1-CB 3.98Å; S145-E147 WeakPolarHBondContact CB-OE2 3.3Å; S145-E147 PolarHBondContact O-N 2.98Å; S145-E147 PolarHBondContact OG-OE2 2.79Å; E147-K149 VanDerWaalsContact C-N 3.33Å; E147-P150 WeakPolarHBondContact O-CD 3.45Å
148G98Very high98Very high3 Ų333.9 Ų33.93%0.03117%0.172CC..G310 helixtrans-80.3-11.8174.100000114V141 S145 V146 E151 R152V141-G148 WeakPolarHBondContact O-CA 3.41Å; V141-G148 PolarHBondContact O-N 2.84Å; S145-G148 PolarHBondContact O-N 2.92Å; S145-G148 VanDerWaalsContact O-N 3.1Å; V146-G148 PolarHBondContact O-N 2.81Å; G148-E151 WeakPolarHBondContact O-CB 3.38Å; G148-E151 PolarHBondContact O-N 3.21Å; G148-R152 WeakPolarHBondContact O-CG 3.2Å; G148-R152 PolarHBondContact O-N 2.92Å
149K97.9Very high98.1Very high94 Ų9432 Ų3241%0.40916%0.163SC..Hα-helixtrans-54.4-45.8-175.7178.3170.317249.90113.4V146 E147 E151 R152 D153V146-K149 WeakPolarHBondContact O-CB 3.29Å; V146-K149 PolarHBondContact O-N 3.15Å; E147-K149 VanDerWaalsContact C-N 3.33Å; K149-E151 VanDerWaalsContact C-N 3.26Å; K149-E151 PolarHBondContact O-N 3.42Å; K149-R152 PolarHBondContact O-N 3.01Å; K149-D153 WeakPolarHBondContact CE-OD2 3.4Å; K149-D153 WeakPolarHBondContact CG-OD2 3.32Å; K149-D153 IonicContact NZ-OD1 3.76Å; K149-D153 PolarHBondContact NZ-OD1 2.83Å; K149-D153 IonicContact NZ-OD2 3.5Å; K149-D153 PolarHBondContact NZ-OD2 3.25Å; K149-D153 WeakPolarHBondContact O-CB 3.43Å; K149-D153 PolarHBondContact O-N 3.11Å
150P97.1Very high98.1Very high84 Ų8432.3 Ų32.355%0.54517%0.165SC..Hα-helixtrans-58.6-37.8177.5-24.735.5000113.1E147 I154E147-P150 WeakPolarHBondContact O-CD 3.45Å; P150-I154 WeakPolarHBondContact O-CD1 3.28Å; P150-I154 WeakPolarHBondContact O-CG1 3.31Å; P150-I154 PolarHBondContact O-N 3.14Å
151E97.5Very high98.1Very high24 Ų2436.2 Ų36.211%0.11219%0.186CC..Hα-helixtrans-69.3-43177.7-164.6176.8113.900111.1R142 G148 K149 I154 C155 Y361 T362R142-E151 WeakPolarHBondContact CD-OE1 3.34Å; R142-E151 VanDerWaalsContact CG-OE1 3.24Å; R142-E151 WeakPolarHBondContact CG-OE1 3.36Å; R142-E151 IonicContact CZ-OE1 3.99Å; R142-E151 IonicContact NE-OE1 2.88Å; R142-E151 IonicContact NH1-OE1 3.84Å; R142-E151 PolarHBondContact NH1-OE1 3.04Å; G148-E151 WeakPolarHBondContact O-CB 3.38Å; G148-E151 PolarHBondContact O-N 3.21Å; K149-E151 VanDerWaalsContact C-N 3.26Å; K149-E151 PolarHBondContact O-N 3.42Å; E151-I154 PolarHBondContact O-N 3.05Å; E151-C155 PolarHBondContact O-SG 3.01Å; E151-Y361 VanDerWaalsContact OE1-CA 3.3Å; E151-Y361 WeakPolarHBondContact OE1-CA 3.47Å; E151-Y361 PolarHBondContact OE2-N 3.26Å; E151-T362 VanDerWaalsContact CD-N 3.33Å; E151-T362 PolarHBondContact OE1-N 3.47Å; E151-T362 PolarHBondContact OE2-N 3.18Å
152R98.4Very high98.1Very high8 Ų836 Ų363%0.0319%0.185CC..Hα-helixtrans-63.4-44175.3-64.5-163.6-56.7-88.75.8112.4R142 S145 G148 K149 I154 C155 Y156 R188 D252R142-R152 WeakPolarHBondContact O-CD 3.5Å; R142-R152 WeakPolarHBondContact O-CG 3.27Å; R142-R152 PolarHBondContact O-NH1 3.38Å; S145-R152 PolarHBondContact O-NH1 3.12Å; G148-R152 WeakPolarHBondContact O-CG 3.2Å; G148-R152 PolarHBondContact O-N 2.92Å; K149-R152 PolarHBondContact O-N 3.01Å; R152-I154 PolarHBondContact O-N 3.35Å; R152-C155 PolarHBondContact O-N 3.35Å; R152-C155 VanDerWaalsContact O-N 3.12Å; R152-Y156 HydrophobicContact CB-CD2 3.67Å; R152-Y156 HydrophobicContact CB-CE2 4.12Å; R152-Y156 HydrophobicContact CB-CG 4.37Å; R152-Y156 HydrophobicContact CG-CD2 3.7Å; R152-Y156 HydrophobicContact CG-CE2 3.62Å; R152-Y156 WeakPolarHBondContact O-CA 3.34Å; R152-Y156 WeakPolarHBondContact O-CB 3.4Å; R152-Y156 PolarHBondContact O-N 2.99Å; R152-R188 VanDerWaalsContact NH2-NH1 3.18Å; R152-D252 IonicContact CZ-OD2 2.63Å; R152-D252 IonicContact NH2-OD1 2.97Å; R152-D252 IonicContact NH2-OD2 4Å; R152-D252 PolarHBondContact NH2-OD2 3.47Å
153D98.2Very high98.1Very high63 Ų6335.7 Ų35.734%0.33718%0.184SC..Hα-helixtrans-61.9-30.8-178.8-71.2-4.9000111.6K149 Q157K149-D153 WeakPolarHBondContact CE-OD2 3.4Å; K149-D153 WeakPolarHBondContact CG-OD2 3.32Å; K149-D153 IonicContact NZ-OD1 3.76Å; K149-D153 PolarHBondContact NZ-OD1 2.83Å; K149-D153 IonicContact NZ-OD2 3.5Å; K149-D153 PolarHBondContact NZ-OD2 3.25Å; K149-D153 WeakPolarHBondContact O-CB 3.43Å; K149-D153 PolarHBondContact O-N 3.11Å; D153-Q157 WeakPolarHBondContact O-CB 3.29Å
154I97.7Very high98.1Very high61 Ų6138.4 Ų38.431%0.31320%0.198SC..Hα-helixtrans-70.2-36.6176.4-70.1165.2000112.3P150 E151 R152 F158 F316 I357 C359P150-I154 WeakPolarHBondContact O-CD1 3.28Å; P150-I154 WeakPolarHBondContact O-CG1 3.31Å; P150-I154 PolarHBondContact O-N 3.14Å; E151-I154 PolarHBondContact O-N 3.05Å; R152-I154 PolarHBondContact O-N 3.35Å; I154-F158 WeakPolarHBondContact O-CD2 3.44Å; I154-F158 VanDerWaalsContact O-CE2 3.29Å; I154-F158 WeakPolarHBondContact O-CE2 3.4Å; I154-F316 HydrophobicContact CG2-CZ 4.05Å; I154-F316 WeakPolarHBondContact O-CE2 3.29Å; I154-F316 WeakPolarHBondContact O-CZ 3.1Å; I154-I357 HydrophobicContact CG2-CG2 4.02Å; I154-C359 HydrophobicContact CG2-CB 3.72Å
155C96.2Very high98.1Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-108-53.8-172.157.20000113.3R142 E151 R152 Q157 F158 V287 F316R142-C155 PolarHBondContact NH2-SG 3.18Å; E151-C155 PolarHBondContact O-SG 3.01Å; R152-C155 PolarHBondContact O-N 3.35Å; R152-C155 VanDerWaalsContact O-N 3.12Å; C155-Q157 VanDerWaalsContact C-N 3.32Å; C155-Q157 PolarHBondContact O-N 3.43Å; C155-F158 PolarHBondContact O-N 3.12Å; C155-V287 HydrophobicContact CB-CG1 4.03Å; C155-F316 HydrophobicContact CB-CD1 3.51Å; C155-F316 HydrophobicContact CB-CD2 4.44Å; C155-F316 HydrophobicContact CB-CE1 3.39Å; C155-F316 HydrophobicContact CB-CE2 4.32Å; C155-F316 HydrophobicContact CB-CG 4.08Å; C155-F316 HydrophobicContact CB-CZ 3.83Å
156Y98.7Very high98.1Very high19 Ų1946.2 Ų46.28%0.07524%0.236CC..Hα-helixtrans-67.6-32.1-176.8-61.3-15.4000112.3R142 D143 R152 F158 V159 L160 R188 L189 V287R142-Y156 PolarHBondContact NE-OH 2.68Å; R142-Y156 PolarHBondContact NH2-OH 2.81Å; D143-Y156 PolarHBondContact OD1-OH 3Å; R152-Y156 HydrophobicContact CB-CD2 3.67Å; R152-Y156 HydrophobicContact CB-CE2 4.12Å; R152-Y156 HydrophobicContact CB-CG 4.37Å; R152-Y156 HydrophobicContact CG-CD2 3.7Å; R152-Y156 HydrophobicContact CG-CE2 3.62Å; R152-Y156 WeakPolarHBondContact O-CA 3.34Å; R152-Y156 WeakPolarHBondContact O-CB 3.4Å; R152-Y156 PolarHBondContact O-N 2.99Å; Y156-F158 VanDerWaalsContact C-N 3.26Å; Y156-F158 PolarHBondContact O-N 3.36Å; Y156-V159 WeakPolarHBondContact O-CB 3.23Å; Y156-V159 PolarHBondContact O-N 3.13Å; Y156-L160 WeakPolarHBondContact O-CG 3.44Å; Y156-L160 PolarHBondContact O-N 3.02Å; Y156-R188 HydrophobicContact CD2-CG 4.41Å; Y156-R188 HydrophobicContact CE2-CB 4.28Å; Y156-R188 HydrophobicContact CE2-CG 4.03Å; Y156-L189 HydrophobicContact CD1-CB 4.08Å; Y156-L189 HydrophobicContact CD1-CD1 4.1Å; Y156-L189 HydrophobicContact CD1-CD2 4.03Å; Y156-L189 HydrophobicContact CD1-CG 4.3Å; Y156-L189 HydrophobicContact CD2-CB 4.34Å; Y156-L189 HydrophobicContact CE1-CB 4Å; Y156-L189 HydrophobicContact CE1-CD2 4.21Å; Y156-L189 HydrophobicContact CE2-CB 4.3Å; Y156-L189 HydrophobicContact CG-CB 4.27Å; Y156-L189 HydrophobicContact CG-CD1 4.03Å; Y156-V287 HydrophobicContact CD1-CG1 4.07Å; Y156-V287 HydrophobicContact CD1-CG2 4.42Å; Y156-V287 HydrophobicContact CE1-CB 4.23Å; Y156-V287 HydrophobicContact CE1-CG1 3.77Å
157Q98.3Very high98.1Very high72 Ų7243.2 Ų43.234%0.33622%0.216SC..Hα-helixtrans-65.5-28.6-178.6-158.5615400113.1D153 C155 N161D153-Q157 WeakPolarHBondContact O-CB 3.29Å; C155-Q157 VanDerWaalsContact C-N 3.32Å; C155-Q157 PolarHBondContact O-N 3.43Å; Q157-N161 PolarHBondContact NE2-OD1 3.14Å; Q157-N161 WeakPolarHBondContact O-CB 3.2Å; Q157-N161 PolarHBondContact O-N 3.2Å; Q157-N161 PolarHBondContact O-ND2 2.82Å
158F97.6Very high98.1Very high50 Ų5041.3 Ų41.322%0.21921%0.209CC..Hα-helixtrans-60.9-48171.3-81.1-95.5000110.9I154 C155 Y156 D162 F316 K354 I357 Y377I154-F158 WeakPolarHBondContact O-CD2 3.44Å; I154-F158 VanDerWaalsContact O-CE2 3.29Å; I154-F158 WeakPolarHBondContact O-CE2 3.4Å; C155-F158 PolarHBondContact O-N 3.12Å; Y156-F158 VanDerWaalsContact C-N 3.26Å; Y156-F158 PolarHBondContact O-N 3.36Å; F158-D162 PolarHBondContact O-N 3.45Å; F158-D162 VanDerWaalsContact O-N 3.12Å; F158-F316 HydrophobicContact CB-CD2 4.38Å; F158-F316 HydrophobicContact CD2-CD2 4.1Å; F158-F316 AromaticContact CD2-CE2 3.78Å; F158-F316 HydrophobicContact CD2-CE2 3.78Å; F158-F316 HydrophobicContact CE2-CE2 4Å; F158-F316 HydrophobicContact CG-CD2 4.26Å; F158-F316 HydrophobicContact CG-CE2 4.36Å; F158-K354 HydrophobicContact CE1-CD 4.4Å; F158-K354 HydrophobicContact CZ-CD 4.47Å; F158-I357 HydrophobicContact CE1-CD1 4.16Å; F158-I357 HydrophobicContact CE2-CD1 4.24Å; F158-I357 HydrophobicContact CZ-CD1 3.78Å; F158-Y377 HydrophobicContact CB-CD2 3.88Å; F158-Y377 HydrophobicContact CB-CE2 3.89Å; F158-Y377 HydrophobicContact CD1-CD1 4.01Å; F158-Y377 AromaticContact CD1-CD2 3.68Å; F158-Y377 HydrophobicContact CD1-CD2 3.68Å; F158-Y377 HydrophobicContact CD1-CE1 4.1Å; F158-Y377 AromaticContact CD1-CE2 3.76Å; F158-Y377 HydrophobicContact CD1-CE2 3.76Å; F158-Y377 AromaticContact CD1-CG 3.79Å; F158-Y377 HydrophobicContact CD1-CG 3.79Å; F158-Y377 AromaticContact CD1-CZ 3.96Å; F158-Y377 HydrophobicContact CE1-CD1 4.21Å; F158-Y377 HydrophobicContact CE1-CE1 4.47Å; F158-Y377 HydrophobicContact CE1-CG 4.23Å; F158-Y377 HydrophobicContact CG-CD2 4.03Å; F158-Y377 HydrophobicContact CG-CE2 4.25Å; F158-Y377 HydrophobicContact CG-CG 4.44Å
159V98.7Very high98Very high0 Ų043.9 Ų43.90%023%0.225CC..Hα-helixtrans-62.6-51.5179-177.70000110.8Y156 N161 D162 V163 L189 A285 V287 I314Y156-V159 WeakPolarHBondContact O-CB 3.23Å; Y156-V159 PolarHBondContact O-N 3.13Å; V159-N161 VanDerWaalsContact C-N 3.33Å; V159-N161 PolarHBondContact O-N 2.74Å; V159-D162 PolarHBondContact O-N 2.99Å; V159-V163 HydrophobicContact CG1-CG2 4.35Å; V159-V163 WeakPolarHBondContact O-CB 3.44Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 3.42Å; V159-L189 HydrophobicContact CB-CD1 4.19Å; V159-L189 HydrophobicContact CG1-CD1 4.13Å; V159-L189 HydrophobicContact CG1-CD2 4.44Å; V159-L189 HydrophobicContact CG2-CD2 4.36Å; V159-A285 HydrophobicContact CG1-CB 3.55Å; V159-A285 HydrophobicContact CG2-CB 4.48Å; V159-V287 HydrophobicContact CG2-CG2 3.76Å; V159-I314 HydrophobicContact CB-CG2 4.5Å; V159-I314 HydrophobicContact CG1-CD1 4.19Å; V159-I314 HydrophobicContact CG2-CG2 3.92Å
160L98.8Very high97.9Very high13 Ų1348.8 Ų48.87%0.06825%0.246CC..Hα-helixtrans-61.4-41.6-177-62.8174.6000111.8Y156 L164 L189 E192 L193 L196Y156-L160 WeakPolarHBondContact O-CG 3.44Å; Y156-L160 PolarHBondContact O-N 3.02Å; L160-L164 WeakPolarHBondContact O-CB 3.1Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.81Å; L160-L189 HydrophobicContact CD2-CD1 4.3Å; L160-E192 HydrophobicContact CD1-CB 4.24Å; L160-E192 HydrophobicContact CD2-CB 3.88Å; L160-L193 HydrophobicContact CD2-CD2 3.81Å; L160-L193 HydrophobicContact CD2-CG 4.02Å; L160-L196 HydrophobicContact CD2-CD1 3.9Å
161N98.6Very high97.9Very high84 Ų8453.3 Ų53.345%0.44926%0.257SS..Hα-helixtrans-65.1-45.4178.6-71.7-13.3000112.1Q157 V159 L164 E165Q157-N161 PolarHBondContact NE2-OD1 3.14Å; Q157-N161 WeakPolarHBondContact O-CB 3.2Å; Q157-N161 PolarHBondContact O-N 3.2Å; Q157-N161 PolarHBondContact O-ND2 2.82Å; V159-N161 VanDerWaalsContact C-N 3.33Å; V159-N161 PolarHBondContact O-N 2.74Å; N161-L164 PolarHBondContact O-N 2.93Å; N161-E165 WeakPolarHBondContact O-CB 3.47Å; N161-E165 PolarHBondContact O-N 2.77Å
162D98.6Very high97.9Very high2 Ų255.6 Ų55.61%0.01127%0.269CS..Hα-helixtrans-65.9-42179.1-74.2-18.6000111.7F158 V159 L164 E165 L166 I314 R352 Y377F158-D162 PolarHBondContact O-N 3.45Å; F158-D162 VanDerWaalsContact O-N 3.12Å; V159-D162 PolarHBondContact O-N 2.99Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.41Å; D162-E165 PolarHBondContact O-N 3.41Å; D162-L166 HydrophobicContact CB-CD1 4.49Å; D162-L166 VanDerWaalsContact O-CB 3.29Å; D162-L166 WeakPolarHBondContact O-CB 3.19Å; D162-L166 WeakPolarHBondContact O-CG 3.24Å; D162-L166 PolarHBondContact O-N 2.83Å; D162-I314 HydrophobicContact CB-CD1 3.76Å; D162-I314 HydrophobicContact CB-CG1 4.44Å; D162-R352 IonicContact OD1-CZ 3.61Å; D162-R352 IonicContact OD1-NH1 2.65Å; D162-R352 PolarHBondContact OD1-NH1 3.48Å; D162-R352 IonicContact OD1-NH2 3.97Å; D162-Y377 VanDerWaalsContact CG-OH 3.27Å; D162-Y377 PolarHBondContact OD1-OH 2.99Å; D162-Y377 WeakPolarHBondContact OD2-CE2 3.49Å; D162-Y377 VanDerWaalsContact OD2-CZ 3.27Å; D162-Y377 PolarHBondContact OD2-OH 3.28Å
163V98.8Very high97.7Very high0 Ų059.5 Ų59.50%029%0.291CS..Hα-helixtrans-60.4-44.3176.3168.50000110.7V159 E165 F167 I179 L193 Y198 I314V159-V163 HydrophobicContact CG1-CG2 4.35Å; V159-V163 WeakPolarHBondContact O-CB 3.44Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 3.42Å; V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E165 PolarHBondContact O-N 2.87Å; V163-F167 HydrophobicContact CG1-CD2 4.26Å; V163-F167 WeakPolarHBondContact O-CA 3.36Å; V163-F167 WeakPolarHBondContact O-CB 3.33Å; V163-F167 PolarHBondContact O-N 3.36Å; V163-I179 HydrophobicContact CG1-CD1 3.56Å; V163-I179 HydrophobicContact CG2-CD1 4.13Å; V163-L193 HydrophobicContact CB-CD2 4.07Å; V163-L193 HydrophobicContact CG1-CD2 3.91Å; V163-L193 HydrophobicContact CG2-CD2 3.88Å; V163-Y198 HydrophobicContact CG1-CD1 4.41Å; V163-Y198 HydrophobicContact CG1-CD2 3.81Å; V163-Y198 HydrophobicContact CG1-CE1 4.04Å; V163-Y198 HydrophobicContact CG1-CE2 3.4Å; V163-Y198 HydrophobicContact CG1-CG 4.31Å; V163-Y198 PolarHBondContact O-OH 3.45Å; V163-I314 HydrophobicContact CG2-CD1 3.86Å
164L98.6Very high97.7Very high58 Ų5857.4 Ų57.430%0.30428%0.28SS..Hα-helixtrans-66.5-32.7176.4-73.7169.2000113.1L160 N161 D162 N168 P169 L196 Y198L160-L164 WeakPolarHBondContact O-CB 3.1Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.81Å; N161-L164 PolarHBondContact O-N 2.93Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.41Å; L164-N168 WeakPolarHBondContact O-CA 3.45Å; L164-N168 WeakPolarHBondContact O-CB 2.94Å; L164-N168 PolarHBondContact O-N 3.18Å; L164-P169 HydrophobicContact CD2-CG 4.06Å; L164-L196 HydrophobicContact CD1-CD1 4.17Å; L164-L196 HydrophobicContact CD2-CD1 4.23Å; L164-L196 HydrophobicContact CD2-CD2 4.44Å; L164-L196 HydrophobicContact CG-CD1 4.15Å; L164-Y198 HydrophobicContact CD2-CE2 4.36Å
165E98.3Very high97.6Very high123 Ų12356 Ų5658%0.57528%0.278SS*.Hα-helixtrans-69-52.1175.5-173.2-177160.600110.9N161 D162 V163 R352N161-E165 WeakPolarHBondContact O-CB 3.47Å; N161-E165 PolarHBondContact O-N 2.77Å; D162-E165 PolarHBondContact O-N 3.41Å; V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E165 PolarHBondContact O-N 2.87Å; E165-R352 IonicContact OE1-NH2 3.7Å; E165-R352 IonicContact OE2-CZ 3.94Å; E165-R352 IonicContact OE2-NH2 2.89Å; E165-R352 PolarHBondContact OE2-NH2 2.9Å
166L98.3Very high97.6Very high42 Ų4261.2 Ų61.222%0.2231%0.306CS..Hα-helixtrans-71.1-42.6-175.5-65.9170.8000112.3D162 Y312 L379D162-L166 HydrophobicContact CB-CD1 4.49Å; D162-L166 VanDerWaalsContact O-CB 3.29Å; D162-L166 WeakPolarHBondContact O-CB 3.19Å; D162-L166 WeakPolarHBondContact O-CG 3.24Å; D162-L166 PolarHBondContact O-N 2.83Å; L166-Y312 HydrophobicContact CD1-CD1 3.91Å; L166-Y312 HydrophobicContact CD1-CD2 3.95Å; L166-Y312 HydrophobicContact CD1-CE1 4.3Å; L166-Y312 HydrophobicContact CD1-CE2 4.34Å; L166-Y312 HydrophobicContact CD1-CG 3.72Å; L166-Y312 HydrophobicContact CD2-CD1 4.23Å; L166-Y312 HydrophobicContact CD2-CD2 4.43Å; L166-Y312 HydrophobicContact CD2-CE1 3.76Å; L166-Y312 HydrophobicContact CD2-CE2 3.99Å; L166-L379 HydrophobicContact CD1-CD1 3.82Å; L166-L379 HydrophobicContact CD1-CD2 4.24Å
167F98.3Very high97.6Very high18 Ų1860.5 Ų60.58%0.07930%0.304CS..THydrogen-bonded Turntrans-118.548.6-173.5-54.1-72.2000111.5V163 P169 I172 V177 Y198 D282 C283 Y312V163-F167 HydrophobicContact CG1-CD2 4.26Å; V163-F167 WeakPolarHBondContact O-CA 3.36Å; V163-F167 WeakPolarHBondContact O-CB 3.33Å; V163-F167 PolarHBondContact O-N 3.36Å; F167-P169 WeakPolarHBondContact O-CD 3.33Å; F167-P169 VanDerWaalsContact O-N 3.16Å; F167-I172 HydrophobicContact CD1-CD1 4.5Å; F167-V177 HydrophobicContact CB-CG1 4.18Å; F167-V177 HydrophobicContact CB-CG2 4.12Å; F167-V177 HydrophobicContact CD1-CB 4.41Å; F167-V177 HydrophobicContact CD1-CG1 3.65Å; F167-V177 HydrophobicContact CD1-CG2 3.82Å; F167-V177 HydrophobicContact CD2-CG1 3.91Å; F167-V177 HydrophobicContact CE1-CG1 3.9Å; F167-V177 HydrophobicContact CE2-CG1 4.15Å; F167-V177 HydrophobicContact CG-CG1 3.64Å; F167-V177 HydrophobicContact CG-CG2 4.15Å; F167-V177 HydrophobicContact CZ-CG1 4.13Å; F167-Y198 HydrophobicContact CB-CE1 3.69Å; F167-Y198 WeakPolarHBondContact O-CE1 3.48Å; F167-Y198 PolarHBondContact O-OH 3.19Å; F167-D282 HydrophobicContact CE1-CB 4.12Å; F167-D282 HydrophobicContact CZ-CB 4.05Å; F167-C283 HydrophobicContact CE2-CB 3.77Å; F167-C283 HydrophobicContact CZ-CB 4.19Å; F167-Y312 HydrophobicContact CE2-CD2 4.35Å; F167-Y312 AromaticContact CZ-CD2 3.85Å; F167-Y312 HydrophobicContact CZ-CD2 3.85Å; F167-Y312 HydrophobicContact CZ-CE2 4.41Å
168N98Very high97.6Very high50 Ų5059.3 Ų59.327%0.26730%0.3SS..  trans-50.9119.5-175.5-172.5-37.5000112.2L164 K170 K171 I172L164-N168 WeakPolarHBondContact O-CA 3.45Å; L164-N168 WeakPolarHBondContact O-CB 2.94Å; L164-N168 PolarHBondContact O-N 3.18Å; N168-K170 PolarHBondContact O-N 2.76Å; N168-K170 VanDerWaalsContact OD1-CB 3.27Å; N168-K170 WeakPolarHBondContact OD1-CB 3.45Å; N168-K170 PolarHBondContact OD1-N 3.37Å; N168-K171 HydrophobicContact CB-CB 4.45Å; N168-K171 HydrophobicContact CB-CD 4.34Å; N168-K171 HydrophobicContact CB-CG 4.35Å; N168-K171 PolarHBondContact O-N 3.11Å; N168-I172 PolarHBondContact O-N 3.31Å
169P95.5Very high97.7Very high57 Ų5757 Ų5737%0.3729%0.289SS..THydrogen-bonded Turntrans-59.9-16.9-178.2-26.835.6000114.8L164 F167 K171 I172 P174L164-P169 HydrophobicContact CD2-CG 4.06Å; F167-P169 WeakPolarHBondContact O-CD 3.33Å; F167-P169 VanDerWaalsContact O-N 3.16Å; P169-K171 VanDerWaalsContact C-N 3.32Å; P169-I172 CarbonylContact C-O 3.52Å; P169-I172 WeakPolarHBondContact CA-O 3.41Å; P169-P174 HydrophobicContact CB-CG 4.41Å
170K96.5Very high97.7Very high197 Ų19757 Ų5786%0.85729%0.289SS*.THydrogen-bonded Turntrans-78.4-15.9173.6-59.7-179.1178.61780113.4N168N168-K170 PolarHBondContact O-N 2.76Å; N168-K170 VanDerWaalsContact OD1-CB 3.27Å; N168-K170 WeakPolarHBondContact OD1-CB 3.45Å; N168-K170 PolarHBondContact OD1-N 3.37Å
171K97.3Very high97.7Very high179 Ų17956.5 Ų56.578%0.77829%0.287SS*.THydrogen-bonded Turntrans-115.1-31.9-175.4-63.6-177.4-178.9175.80112.6N168 P169N168-K171 HydrophobicContact CB-CB 4.45Å; N168-K171 HydrophobicContact CB-CD 4.34Å; N168-K171 HydrophobicContact CB-CG 4.35Å; N168-K171 PolarHBondContact O-N 3.11Å; P169-K171 VanDerWaalsContact C-N 3.32Å
172I95.9Very high97.7Very high71 Ų7152.5 Ų52.536%0.36427%0.266SS..SBendtrans-131.3139.3-175.7-58.5173.7000107.2F167 N168 P169 P174 V177F167-I172 HydrophobicContact CD1-CD1 4.5Å; N168-I172 PolarHBondContact O-N 3.31Å; P169-I172 CarbonylContact C-O 3.52Å; P169-I172 WeakPolarHBondContact CA-O 3.41Å; I172-P174 VanDerWaalsContact O-CD 3.3Å; I172-P174 WeakPolarHBondContact O-CD 3.3Å; I172-V177 HydrophobicContact CG2-CG2 3.79Å
173N95.8Very high97.7Very high90 Ų9053.6 Ų53.648%0.48128%0.277SS..  trans-67.1115.1170.2179.910000108.6A175 N176N173-A175 PolarHBondContact O-N 2.91Å; N173-A175 PolarHBondContact OD1-N 3.39Å; N173-N176 WeakPolarHBondContact O-CB 3.4Å; N173-N176 PolarHBondContact O-N 2.98Å
174P97.1Very high97.7Very high19 Ų1954 Ų5412%0.12328%0.28CS..G310 helixtrans-61.7-27.6-175.227.5-37.1000112.5P169 I172 N176 V177 G197 Y198P169-P174 HydrophobicContact CB-CG 4.41Å; I172-P174 VanDerWaalsContact O-CD 3.3Å; I172-P174 WeakPolarHBondContact O-CD 3.3Å; P174-N176 PolarHBondContact O-N 3.42Å; P174-N176 VanDerWaalsContact O-N 3.12Å; P174-V177 PolarHBondContact O-N 3.45Å; P174-G197 CarbonylContact C-O 3.41Å; P174-G197 WeakPolarHBondContact CB-O 3.48Å; P174-Y198 HydrophobicContact CB-CD1 3.41Å; P174-Y198 VanDerWaalsContact CB-CD1 3.41Å; P174-Y198 HydrophobicContact CB-CE1 3.5Å; P174-Y198 VanDerWaalsContact CB-CE1 3.5Å; P174-Y198 HydrophobicContact CB-CG 4.01Å; P174-Y198 WeakPolarHBondContact O-CA 3.34Å
175A96.3Very high97.7Very high32 Ų3251.6 Ų51.626%0.26427%0.27SS..G310 helixtrans-64.1-16.6175.200000113.9N173 G197 T199N173-A175 PolarHBondContact O-N 2.91Å; N173-A175 PolarHBondContact OD1-N 3.39Å; A175-G197 PolarHBondContact N-O 2.99Å; A175-T199 PolarHBondContact O-OG1 2.68Å
176N96.3Very high97.7Very high110 Ų11045.8 Ų45.859%0.58824%0.243SC*.G310 helixtrans-91.90.8175.9-65.6-7000113.1N173 P174N173-N176 WeakPolarHBondContact O-CB 3.4Å; N173-N176 PolarHBondContact O-N 2.98Å; P174-N176 PolarHBondContact O-N 3.42Å; P174-N176 VanDerWaalsContact O-N 3.12Å
177V98.3Very high97.7Very high4 Ų443.8 Ų43.82%0.02423%0.233CC..  trans-107.3114-179.6179.10000107.7F167 I172 P174 I179 Y198 T199 D282F167-V177 HydrophobicContact CB-CG1 4.18Å; F167-V177 HydrophobicContact CB-CG2 4.12Å; F167-V177 HydrophobicContact CD1-CB 4.41Å; F167-V177 HydrophobicContact CD1-CG1 3.65Å; F167-V177 HydrophobicContact CD1-CG2 3.82Å; F167-V177 HydrophobicContact CD2-CG1 3.91Å; F167-V177 HydrophobicContact CE1-CG1 3.9Å; F167-V177 HydrophobicContact CE2-CG1 4.15Å; F167-V177 HydrophobicContact CG-CG1 3.64Å; F167-V177 HydrophobicContact CG-CG2 4.15Å; F167-V177 HydrophobicContact CZ-CG1 4.13Å; I172-V177 HydrophobicContact CG2-CG2 3.79Å; P174-V177 PolarHBondContact O-N 3.45Å; V177-I179 HydrophobicContact CG1-CD1 4.36Å; V177-I179 HydrophobicContact CG1-CG1 4.03Å; V177-Y198 HydrophobicContact CB-CD1 3.96Å; V177-Y198 HydrophobicContact CB-CE1 4.44Å; V177-Y198 HydrophobicContact CG1-CD1 4.2Å; V177-T199 PolarHBondContact O-N 3.09Å; V177-D282 HydrophobicContact CG1-CB 3.89Å
178N98.7Very high97.8Very high47 Ų4743.4 Ų43.425%0.25123%0.231SC..EExtended strand (participates in β ladder)trans-90.2116.6-179.7-60.7-34.4000109.5T199 W281 D282 C283N178-T199 WeakPolarHBondContact OD1-CG2 3.36Å; N178-W281 HydrophobicContact CB-CE3 3.75Å; N178-W281 HydrophobicContact CB-CZ3 4.12Å; N178-D282 PolarHBondContact N-OD2 3.3Å; N178-D282 PolarHBondContact O-N 3.13Å; N178-C283 PolarHBondContact O-N 3.33Å
179I98.9Very high97.8Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-114.1128.9178.7-49.2-176.9000109.9V163 V177 L193 Y198 T199 C200 Q201 C283V163-I179 HydrophobicContact CG1-CD1 3.56Å; V163-I179 HydrophobicContact CG2-CD1 4.13Å; V177-I179 HydrophobicContact CG1-CD1 4.36Å; V177-I179 HydrophobicContact CG1-CG1 4.03Å; I179-L193 HydrophobicContact CD1-CD2 4.06Å; I179-L193 HydrophobicContact CG2-CD1 3.9Å; I179-Y198 HydrophobicContact CD1-CD1 4.09Å; I179-Y198 HydrophobicContact CD1-CD2 4.22Å; I179-Y198 HydrophobicContact CD1-CG 3.76Å; I179-T199 PolarHBondContact N-O 3.28Å; I179-C200 WeakPolarHBondContact O-CA 3.32Å; I179-Q201 PolarHBondContact O-N 2.94Å; I179-C283 WeakPolarHBondContact CA-O 3.38Å; I179-C283 HydrophobicContact CG1-CB 4.11Å; I179-C283 HydrophobicContact CG2-CB 4.16Å
180L99Very high98Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-108.1136.1173.5176.463.6000110.5P182 Q201 N203 F271 Y275 W281 C283 L284 A285 I306L180-P182 HydrophobicContact CD2-CG 4.31Å; L180-P182 HydrophobicContact CG-CG 4.11Å; L180-Q201 CarbonylContact C-O 3.58Å; L180-Q201 WeakPolarHBondContact CA-O 3.29Å; L180-Q201 HydrophobicContact CD1-CB 4.33Å; L180-Q201 HydrophobicContact CD1-CG 4.39Å; L180-N203 HydrophobicContact CD1-CB 4.33Å; L180-F271 HydrophobicContact CD2-CE2 3.92Å; L180-Y275 HydrophobicContact CD1-CE1 3.76Å; L180-Y275 HydrophobicContact CD1-CE2 3.94Å; L180-Y275 VanDerWaalsContact CD1-OH 3.29Å; L180-Y275 WeakPolarHBondContact CD1-OH 3.47Å; L180-Y275 HydrophobicContact CD2-CD1 3.82Å; L180-Y275 HydrophobicContact CD2-CD2 3.99Å; L180-Y275 HydrophobicContact CD2-CE1 3.84Å; L180-Y275 HydrophobicContact CD2-CE2 4.02Å; L180-Y275 HydrophobicContact CD2-CG 3.9Å; L180-Y275 HydrophobicContact CG-CE1 4.47Å; L180-W281 HydrophobicContact CB-CD2 3.61Å; L180-W281 HydrophobicContact CB-CE3 3.57Å; L180-W281 HydrophobicContact CB-CG 4.15Å; L180-W281 HydrophobicContact CB-CH2 4.21Å; L180-W281 HydrophobicContact CB-CZ2 4.24Å; L180-W281 HydrophobicContact CB-CZ3 3.88Å; L180-W281 HydrophobicContact CD1-CH2 4.31Å; L180-W281 HydrophobicContact CD1-CZ2 4.26Å; L180-W281 HydrophobicContact CD2-CD2 4.36Å; L180-W281 HydrophobicContact CD2-CZ2 4.34Å; L180-C283 PolarHBondContact N-O 3.06Å; L180-L284 HydrophobicContact CB-CD1 4.41Å; L180-L284 HydrophobicContact CB-CG 4.14Å; L180-L284 HydrophobicContact CD2-CD2 4.48Å; L180-L284 HydrophobicContact CD2-CG 4.32Å; L180-L284 CarbonylContact O-C 3.57Å; L180-L284 WeakPolarHBondContact O-CA 3.37Å; L180-A285 PolarHBondContact O-N 3.11Å; L180-I306 HydrophobicContact CD2-CD1 3.71Å
181V99Very high98.1Very high4 Ų429.3 Ų29.32%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-119.990175.2-173.50000109.1A184 L189 A190 L193 Q201 G202 N203 A285V181-A184 HydrophobicContact CG1-CB 4.21Å; V181-L189 HydrophobicContact CG1-CD2 3.99Å; V181-L189 HydrophobicContact CG1-CG 4.34Å; V181-A190 HydrophobicContact CB-CB 4.17Å; V181-A190 HydrophobicContact CG2-CB 4Å; V181-L193 HydrophobicContact CG2-CD1 3.73Å; V181-Q201 PolarHBondContact N-O 3.43Å; V181-G202 CarbonylContact O-C 3.51Å; V181-G202 WeakPolarHBondContact O-CA 3.27Å; V181-N203 PolarHBondContact O-N 3.31Å; V181-A285 HydrophobicContact CG2-CB 4.43Å
182P98.8Very high98.1Very high0 Ų022.7 Ų22.70%013%0.133CC..EExtended strand (participates in β ladder)trans-66.5143.9172.5-19.334.3000111.7L180 F271 A285 T286 F289L180-P182 HydrophobicContact CD2-CG 4.31Å; L180-P182 HydrophobicContact CG-CG 4.11Å; P182-F271 HydrophobicContact CB-CD2 3.71Å; P182-F271 HydrophobicContact CB-CE2 4.03Å; P182-F271 HydrophobicContact CB-CG 4.11Å; P182-F271 HydrophobicContact CG-CD2 3.7Å; P182-F271 HydrophobicContact CG-CE2 3.5Å; P182-F271 HydrophobicContact CG-CG 4.48Å; P182-F271 HydrophobicContact CG-CZ 4.11Å; P182-A285 WeakPolarHBondContact CD-O 3.47Å; P182-T286 HydrophobicContact CB-CG2 4.46Å; P182-T286 HydrophobicContact CG-CG2 4.14Å; P182-F289 HydrophobicContact CB-CD1 3.87Å; P182-F289 HydrophobicContact CB-CD2 4.33Å; P182-F289 HydrophobicContact CB-CE1 3.47Å; P182-F289 VanDerWaalsContact CB-CE1 3.47Å; P182-F289 HydrophobicContact CB-CE2 3.96Å; P182-F289 HydrophobicContact CB-CG 4.27Å; P182-F289 HydrophobicContact CB-CZ 3.51Å; P182-F289 HydrophobicContact CG-CE1 4.36Å
183G98.5Very high98.3Very high24 Ų2419.3 Ų19.325%0.24712%0.116CC..SBendtrans60.648-176.300000112.5G185 N203G183-G185 PolarHBondContact O-N 3.23Å; G183-G185 VanDerWaalsContact O-N 3.16Å; G183-N203 CarbonylContact C-O 3.6Å; G183-N203 WeakPolarHBondContact CA-O 3.34Å; G183-N203 PolarHBondContact N-O 3.44Å
184A98.7Very high98.4Very high8 Ų815 Ų157%0.0669%0.093CC..  trans-69.3-9.4-171.300000114.1V181 L186 G187 N203 M266V181-A184 HydrophobicContact CG1-CB 4.21Å; A184-L186 PolarHBondContact O-N 3.14Å; A184-G187 WeakPolarHBondContact O-CA 3.29Å; A184-G187 PolarHBondContact O-N 3.48Å; A184-N203 PolarHBondContact N-O 3.05Å; A184-M266 HydrophobicContact CB-CE 3.98Å; A184-M266 HydrophobicContact CB-SD 3.94Å
185G98.4Very high98.4Very high9 Ų917.3 Ų17.39%0.09310%0.102CC..THydrogen-bonded Turntrans60.1-119.1178.700000111.2G183 G187 E204G183-G185 PolarHBondContact O-N 3.23Å; G183-G185 VanDerWaalsContact O-N 3.16Å; G185-G187 PolarHBondContact O-N 3.3Å; G185-E204 WeakPolarHBondContact CA-OE2 3.26Å; G185-E204 PolarHBondContact N-OE2 2.76Å
186L98.7Very high98.5Very high0 Ų018.6 Ų18.60%010%0.104CC..THydrogen-bonded Turntrans-88.911176.7-52.8-169.2000113.3Q139 F140 D143 W144 A184 R188 M209 P212 A213 I216Q139-L186 VanDerWaalsContact C-CD1 3.42Å; Q139-L186 HydrophobicContact CB-CD1 3.61Å; Q139-L186 HydrophobicContact CB-CD2 4.46Å; Q139-L186 HydrophobicContact CB-CG 3.8Å; F140-L186 HydrophobicContact CD2-CD1 4.05Å; F140-L186 HydrophobicContact CE2-CD1 4.44Å; F140-L186 HydrophobicContact CG-CD1 4.17Å; D143-L186 HydrophobicContact CB-CB 3.9Å; D143-L186 HydrophobicContact CB-CD1 4.48Å; D143-L186 WeakPolarHBondContact OD2-CB 3.35Å; D143-L186 PolarHBondContact OD2-N 2.92Å; W144-L186 PolarHBondContact NE1-O 3.31Å; A184-L186 PolarHBondContact O-N 3.14Å; L186-R188 PolarHBondContact O-N 3.24Å; L186-M209 HydrophobicContact CD2-CB 4.43Å; L186-M209 HydrophobicContact CD2-SD 4.12Å; L186-P212 HydrophobicContact CD2-CB 3.7Å; L186-A213 HydrophobicContact CD2-CB 4.44Å; L186-I216 HydrophobicContact CB-CD1 4.35Å; L186-I216 HydrophobicContact CD1-CD1 3.92Å
187G98.5Very high98.5Very high1 Ų113.9 Ų13.91%0.018%0.082CC..SBendtrans81.96.8169.300000115A184 G185 L189 A190 W191A184-G187 WeakPolarHBondContact O-CA 3.29Å; A184-G187 PolarHBondContact O-N 3.48Å; G185-G187 PolarHBondContact O-N 3.3Å; G187-L189 PolarHBondContact O-N 2.78Å; G187-A190 PolarHBondContact O-N 3.26Å; G187-W191 WeakPolarHBondContact O-CB 3.45Å; G187-W191 PolarHBondContact O-N 3.35Å
188R98.9Very high98.5Very high9 Ų913.7 Ų13.73%0.0348%0.08CC..Hα-helixtrans-60.4-47.8-174.917560.4175.1-101.711.7113.2D143 W144 R152 Y156 L186 A190 W191 E192 D252D143-R188 HydrophobicContact CB-CB 3.66Å; D143-R188 HydrophobicContact CB-CG 4.5Å; D143-R188 WeakPolarHBondContact O-CB 3.26Å; D143-R188 WeakPolarHBondContact O-CD 3.5Å; D143-R188 WeakPolarHBondContact O-CG 3.29Å; D143-R188 PolarHBondContact O-NH1 3.28Å; W144-R188 HydrophobicContact CZ2-CB 4.36Å; R152-R188 VanDerWaalsContact NH2-NH1 3.18Å; Y156-R188 HydrophobicContact CD2-CG 4.41Å; Y156-R188 HydrophobicContact CE2-CB 4.28Å; Y156-R188 HydrophobicContact CE2-CG 4.03Å; L186-R188 PolarHBondContact O-N 3.24Å; R188-A190 PolarHBondContact O-N 3.36Å; R188-W191 WeakPolarHBondContact O-CB 3.36Å; R188-W191 PolarHBondContact O-N 3.41Å; R188-E192 HydrophobicContact CG-CG 4.38Å; R188-E192 IonicContact CZ-OE1 3.73Å; R188-E192 IonicContact NE-OE1 2.74Å; R188-E192 PolarHBondContact NE-OE1 3.35Å; R188-E192 IonicContact NH2-OE1 3.94Å; R188-E192 PolarHBondContact NH2-OE1 3.14Å; R188-E192 WeakPolarHBondContact O-CG 3.45Å; R188-E192 PolarHBondContact O-N 2.95Å; R188-D252 IonicContact CZ-OD1 3.15Å; R188-D252 IonicContact NH1-OD1 3.94Å; R188-D252 PolarHBondContact NH1-OD1 3.02Å; R188-D252 IonicContact NH1-OD2 3.77Å; R188-D252 IonicContact NH2-OD1 3.2Å; R188-D252 IonicContact NH2-OD2 2.68Å
189L98.9Very high98.5Very high5 Ų512.2 Ų12.23%0.0267%0.073CC..Hα-helixtrans-63.2-43.4-179.717560.4000111.6Y156 V159 L160 V181 G187 W191 E192 L193 A285 V287Y156-L189 HydrophobicContact CD1-CB 4.08Å; Y156-L189 HydrophobicContact CD1-CD1 4.1Å; Y156-L189 HydrophobicContact CD1-CD2 4.03Å; Y156-L189 HydrophobicContact CD1-CG 4.3Å; Y156-L189 HydrophobicContact CD2-CB 4.34Å; Y156-L189 HydrophobicContact CE1-CB 4Å; Y156-L189 HydrophobicContact CE1-CD2 4.21Å; Y156-L189 HydrophobicContact CE2-CB 4.3Å; Y156-L189 HydrophobicContact CG-CB 4.27Å; Y156-L189 HydrophobicContact CG-CD1 4.03Å; V159-L189 HydrophobicContact CB-CD1 4.19Å; V159-L189 HydrophobicContact CG1-CD1 4.13Å; V159-L189 HydrophobicContact CG1-CD2 4.44Å; V159-L189 HydrophobicContact CG2-CD2 4.36Å; L160-L189 HydrophobicContact CD2-CD1 4.3Å; V181-L189 HydrophobicContact CG1-CD2 3.99Å; V181-L189 HydrophobicContact CG1-CG 4.34Å; G187-L189 PolarHBondContact O-N 2.78Å; L189-W191 VanDerWaalsContact C-N 3.29Å; L189-W191 PolarHBondContact O-N 2.84Å; L189-E192 PolarHBondContact O-N 2.85Å; L189-L193 HydrophobicContact CD1-CD1 4.29Å; L189-L193 HydrophobicContact CD1-CG 4.45Å; L189-L193 HydrophobicContact CG-CD1 4.23Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 2.7Å; L189-A285 HydrophobicContact CD2-CB 4.49Å; L189-V287 HydrophobicContact CD2-CB 4.25Å; L189-V287 HydrophobicContact CD2-CG2 3.52Å
190A98.8Very high98.5Very high0 Ų012.2 Ų12.20%07%0.073CC..Hα-helixtrans-63.3-38.1176.900000111.4V181 G187 R188 A194 C200 F264V181-A190 HydrophobicContact CB-CB 4.17Å; V181-A190 HydrophobicContact CG2-CB 4Å; G187-A190 PolarHBondContact O-N 3.26Å; R188-A190 PolarHBondContact O-N 3.36Å; A190-A194 WeakPolarHBondContact O-CB 3.27Å; A190-A194 PolarHBondContact O-N 3.05Å; A190-C200 PolarHBondContact O-SG 3.15Å; A190-F264 HydrophobicContact CB-CE2 3.75Å
191W98.7Very high98.5Very high4 Ų414.4 Ų14.42%0.0158%0.083CC..Hα-helixtrans-65.6-43173.4-179.590.1000112.6W144 G187 R188 L189 L193 A194 H195 V253 C254 P255 F264W144-W191 HydrophobicContact CH2-CB 4.01Å; W144-W191 AromaticContact CH2-CD2 3.88Å; W144-W191 HydrophobicContact CH2-CD2 3.88Å; W144-W191 HydrophobicContact CH2-CE3 4.32Å; W144-W191 AromaticContact CH2-CG 3.71Å; W144-W191 HydrophobicContact CH2-CG 3.71Å; W144-W191 HydrophobicContact CZ2-CB 4.31Å; W144-W191 HydrophobicContact CZ2-CG 4.45Å; W144-W191 HydrophobicContact CZ3-CD2 4.37Å; G187-W191 WeakPolarHBondContact O-CB 3.45Å; G187-W191 PolarHBondContact O-N 3.35Å; R188-W191 WeakPolarHBondContact O-CB 3.36Å; R188-W191 PolarHBondContact O-N 3.41Å; L189-W191 VanDerWaalsContact C-N 3.29Å; L189-W191 PolarHBondContact O-N 2.84Å; W191-L193 VanDerWaalsContact C-N 3.33Å; W191-L193 PolarHBondContact O-N 2.63Å; W191-A194 CarbonylContact O-C 3.58Å; W191-A194 WeakPolarHBondContact O-CB 3.43Å; W191-A194 PolarHBondContact O-N 3.12Å; W191-H195 HydrophobicContact CE3-CB 4.36Å; W191-H195 HydrophobicContact CH2-CB 4.13Å; W191-H195 AromaticContact CH2-CG 3.83Å; W191-H195 AromaticContact CH2-ND1 3.82Å; W191-H195 HydrophobicContact CZ2-CB 4.3Å; W191-H195 AromaticContact CZ2-ND1 3.85Å; W191-H195 HydrophobicContact CZ3-CB 4.16Å; W191-H195 VanDerWaalsContact O-CB 3.31Å; W191-H195 WeakPolarHBondContact O-CB 3.3Å; W191-H195 PolarHBondContact O-N 3.12Å; W191-V253 HydrophobicContact CE3-CG2 4.44Å; W191-V253 HydrophobicContact CH2-CB 4.07Å; W191-V253 HydrophobicContact CH2-CG2 3.72Å; W191-V253 HydrophobicContact CZ2-CG2 4.34Å; W191-V253 HydrophobicContact CZ3-CB 4.49Å; W191-V253 HydrophobicContact CZ3-CG2 3.78Å; W191-C254 WeakPolarHBondContact CZ2-O 3.29Å; W191-P255 PolarHBondContact NE1-O 3.45Å; W191-F264 HydrophobicContact CB-CE1 4.41Å; W191-F264 HydrophobicContact CB-CE2 4.47Å; W191-F264 HydrophobicContact CB-CZ 4.06Å
192E98.7Very high98.5Very high40 Ų4014.2 Ų14.219%0.1878%0.082CC..Hα-helixtrans-61.4-41.6177.3-70.8-81.518000111.3L160 R188 L189 H195 L196L160-E192 HydrophobicContact CD1-CB 4.24Å; L160-E192 HydrophobicContact CD2-CB 3.88Å; R188-E192 HydrophobicContact CG-CG 4.38Å; R188-E192 IonicContact CZ-OE1 3.73Å; R188-E192 IonicContact NE-OE1 2.74Å; R188-E192 PolarHBondContact NE-OE1 3.35Å; R188-E192 IonicContact NH2-OE1 3.94Å; R188-E192 PolarHBondContact NH2-OE1 3.14Å; R188-E192 WeakPolarHBondContact O-CG 3.45Å; R188-E192 PolarHBondContact O-N 2.95Å; L189-E192 PolarHBondContact O-N 2.85Å; E192-H195 PolarHBondContact O-N 3.21Å; E192-L196 WeakPolarHBondContact O-CG 3.2Å; E192-L196 PolarHBondContact O-N 3.24Å
193L98.7Very high98.5Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-63.8-43.8174.8-70.6164.3000111.5L160 V163 I179 V181 L189 W191 L196 Y198 C200L160-L193 HydrophobicContact CD2-CD2 3.81Å; L160-L193 HydrophobicContact CD2-CG 4.02Å; V163-L193 HydrophobicContact CB-CD2 4.07Å; V163-L193 HydrophobicContact CG1-CD2 3.91Å; V163-L193 HydrophobicContact CG2-CD2 3.88Å; I179-L193 HydrophobicContact CD1-CD2 4.06Å; I179-L193 HydrophobicContact CG2-CD1 3.9Å; V181-L193 HydrophobicContact CG2-CD1 3.73Å; L189-L193 HydrophobicContact CD1-CD1 4.29Å; L189-L193 HydrophobicContact CD1-CG 4.45Å; L189-L193 HydrophobicContact CG-CD1 4.23Å; L189-L193 WeakPolarHBondContact O-CG 3.37Å; L189-L193 PolarHBondContact O-N 2.7Å; W191-L193 VanDerWaalsContact C-N 3.33Å; W191-L193 PolarHBondContact O-N 2.63Å; L193-L196 PolarHBondContact O-N 3.48Å; L193-Y198 WeakPolarHBondContact O-CB 3.2Å; L193-Y198 WeakPolarHBondContact O-CD2 3.49Å; L193-Y198 PolarHBondContact O-N 3.07Å; L193-C200 HydrophobicContact CB-CB 4.15Å
194A98.5Very high98.5Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-62.2-42.2173.400000112.3A190 W191 L196 G197 Y198 C200 L258 V262 F264A190-A194 WeakPolarHBondContact O-CB 3.27Å; A190-A194 PolarHBondContact O-N 3.05Å; W191-A194 CarbonylContact O-C 3.58Å; W191-A194 WeakPolarHBondContact O-CB 3.43Å; W191-A194 PolarHBondContact O-N 3.12Å; A194-L196 PolarHBondContact O-N 2.92Å; A194-G197 WeakPolarHBondContact O-CA 3.29Å; A194-G197 PolarHBondContact O-N 3.33Å; A194-Y198 WeakPolarHBondContact CA-O 3.1Å; A194-C200 HydrophobicContact CB-CB 4.18Å; A194-L258 HydrophobicContact CB-CD2 3.82Å; A194-V262 HydrophobicContact CB-CG1 3.73Å; A194-V262 WeakPolarHBondContact O-CG1 3.38Å; A194-F264 HydrophobicContact CB-CB 3.72Å; A194-F264 HydrophobicContact CB-CD2 3.79Å; A194-F264 HydrophobicContact CB-CG 3.88Å
195H97.5Very high98.3Very high66 Ų6621.4 Ų21.431%0.30610%0.101SC..Hα-helixtrans-61.9-31.7178.6-173.274.1000112W191 E192 G197 D257 L258W191-H195 HydrophobicContact CE3-CB 4.36Å; W191-H195 HydrophobicContact CH2-CB 4.13Å; W191-H195 AromaticContact CH2-CG 3.83Å; W191-H195 AromaticContact CH2-ND1 3.82Å; W191-H195 HydrophobicContact CZ2-CB 4.3Å; W191-H195 AromaticContact CZ2-ND1 3.85Å; W191-H195 HydrophobicContact CZ3-CB 4.16Å; W191-H195 VanDerWaalsContact O-CB 3.31Å; W191-H195 WeakPolarHBondContact O-CB 3.3Å; W191-H195 PolarHBondContact O-N 3.12Å; E192-H195 PolarHBondContact O-N 3.21Å; H195-G197 PolarHBondContact O-N 3.07Å; H195-D257 PolarHBondContact CE1-O 3.5Å; H195-D257 VanDerWaalsContact CE1-O 3.27Å; H195-D257 IonicContact CE1-OD2 3.63Å; H195-D257 PolarHBondContact ND1-O 3.35Å; H195-L258 HydrophobicContact CB-CD2 4.12Å
196L97.4Very high98.2Very high60 Ų6022.1 Ų22.131%0.31411%0.105SC..THydrogen-bonded Turntrans-72.2-4.9170.9-69.2174.5000114.4L160 L164 E192 L193 A194 Y198L160-L196 HydrophobicContact CD2-CD1 3.9Å; L164-L196 HydrophobicContact CD1-CD1 4.17Å; L164-L196 HydrophobicContact CD2-CD1 4.23Å; L164-L196 HydrophobicContact CD2-CD2 4.44Å; L164-L196 HydrophobicContact CG-CD1 4.15Å; E192-L196 WeakPolarHBondContact O-CG 3.2Å; E192-L196 PolarHBondContact O-N 3.24Å; L193-L196 PolarHBondContact O-N 3.48Å; A194-L196 PolarHBondContact O-N 2.92Å; L196-Y198 HydrophobicContact CB-CD2 3.8Å; L196-Y198 HydrophobicContact CB-CE2 3.8Å; L196-Y198 HydrophobicContact CD1-CE2 4.33Å
197G97.6Very high98Very high11 Ų1122.8 Ų22.811%0.11311%0.108CC..THydrogen-bonded Turntrans103.5-1176.400000115.1P174 A175 A194 H195P174-G197 CarbonylContact C-O 3.41Å; P174-G197 WeakPolarHBondContact CB-O 3.48Å; A175-G197 PolarHBondContact N-O 2.99Å; A194-G197 WeakPolarHBondContact O-CA 3.29Å; A194-G197 PolarHBondContact O-N 3.33Å; H195-G197 PolarHBondContact O-N 3.07Å
198Y98.3Very high98Very high0 Ų023.2 Ų23.20%011%0.11CC..  trans-78.9148.6-176.8-61.3-73.3000112V163 L164 F167 P174 V177 I179 L193 A194 L196 C200V163-Y198 HydrophobicContact CG1-CD1 4.41Å; V163-Y198 HydrophobicContact CG1-CD2 3.81Å; V163-Y198 HydrophobicContact CG1-CE1 4.04Å; V163-Y198 HydrophobicContact CG1-CE2 3.4Å; V163-Y198 HydrophobicContact CG1-CG 4.31Å; V163-Y198 PolarHBondContact O-OH 3.45Å; L164-Y198 HydrophobicContact CD2-CE2 4.36Å; F167-Y198 HydrophobicContact CB-CE1 3.69Å; F167-Y198 WeakPolarHBondContact O-CE1 3.48Å; F167-Y198 PolarHBondContact O-OH 3.19Å; P174-Y198 HydrophobicContact CB-CD1 3.41Å; P174-Y198 VanDerWaalsContact CB-CD1 3.41Å; P174-Y198 HydrophobicContact CB-CE1 3.5Å; P174-Y198 VanDerWaalsContact CB-CE1 3.5Å; P174-Y198 HydrophobicContact CB-CG 4.01Å; P174-Y198 WeakPolarHBondContact O-CA 3.34Å; V177-Y198 HydrophobicContact CB-CD1 3.96Å; V177-Y198 HydrophobicContact CB-CE1 4.44Å; V177-Y198 HydrophobicContact CG1-CD1 4.2Å; I179-Y198 HydrophobicContact CD1-CD1 4.09Å; I179-Y198 HydrophobicContact CD1-CD2 4.22Å; I179-Y198 HydrophobicContact CD1-CG 3.76Å; L193-Y198 WeakPolarHBondContact O-CB 3.2Å; L193-Y198 WeakPolarHBondContact O-CD2 3.49Å; L193-Y198 PolarHBondContact O-N 3.07Å; A194-Y198 WeakPolarHBondContact CA-O 3.1Å; L196-Y198 HydrophobicContact CB-CD2 3.8Å; L196-Y198 HydrophobicContact CB-CE2 3.8Å; L196-Y198 HydrophobicContact CD1-CE2 4.33Å; Y198-C200 PolarHBondContact O-N 2.98Å
199T98.5Very high97.9Very high15 Ų1524.2 Ų24.29%0.09212%0.115CC..EExtended strand (participates in β ladder)trans-73109.4167.2-68.30000107.8A175 V177 N178 I179 Q263A175-T199 PolarHBondContact O-OG1 2.68Å; V177-T199 PolarHBondContact O-N 3.09Å; N178-T199 WeakPolarHBondContact OD1-CG2 3.36Å; I179-T199 PolarHBondContact N-O 3.28Å; T199-Q263 WeakPolarHBondContact CA-O 3.18Å; T199-Q263 HydrophobicContact CG2-CB 3.87Å
200C98.8Very high97.8Very high1 Ų124.8 Ų24.81%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-125.4132.9-173-162.70000111.7I179 A190 L193 A194 Y198 Q263 F264 S265I179-C200 WeakPolarHBondContact O-CA 3.32Å; A190-C200 PolarHBondContact O-SG 3.15Å; L193-C200 HydrophobicContact CB-CB 4.15Å; A194-C200 HydrophobicContact CB-CB 4.18Å; Y198-C200 PolarHBondContact O-N 2.98Å; C200-Q263 PolarHBondContact N-O 3.41Å; C200-F264 WeakPolarHBondContact O-CA 3.39Å; C200-S265 PolarHBondContact O-N 3.33Å; C200-S265 VanDerWaalsContact O-N 3.09Å
201Q98.8Very high97.7Very high45 Ų4524.8 Ų24.821%0.2112%0.118CC..EExtended strand (participates in β ladder)trans-118.6127.3168.7-176.1166.996.400109.2I179 L180 V181 S265 A267 Y275 W281I179-Q201 PolarHBondContact O-N 2.94Å; L180-Q201 CarbonylContact C-O 3.58Å; L180-Q201 WeakPolarHBondContact CA-O 3.29Å; L180-Q201 HydrophobicContact CD1-CB 4.33Å; L180-Q201 HydrophobicContact CD1-CG 4.39Å; V181-Q201 PolarHBondContact N-O 3.43Å; Q201-S265 CarbonylContact C-O 3.59Å; Q201-S265 WeakPolarHBondContact CA-O 3.41Å; Q201-S265 WeakPolarHBondContact CG-OG 3.47Å; Q201-S265 PolarHBondContact NE2-OG 3.18Å; Q201-A267 HydrophobicContact CG-CB 4.4Å; Q201-Y275 VanDerWaalsContact OE1-CE1 3.28Å; Q201-Y275 PolarHBondContact OE1-OH 3.37Å; Q201-W281 HydrophobicContact CB-CH2 3.73Å; Q201-W281 HydrophobicContact CB-CZ3 4.16Å; Q201-W281 HydrophobicContact CG-CH2 4.46Å
202G98.8Very high97.7Very high0 Ų024.6 Ų24.60%012%0.118CC..EExtended strand (participates in β ladder)trans-88.3151.7162.100000110.4V181 S265 M266 A267V181-G202 CarbonylContact O-C 3.51Å; V181-G202 WeakPolarHBondContact O-CA 3.27Å; G202-S265 PolarHBondContact N-O 2.85Å; G202-M266 VanDerWaalsContact CA-SD 3.5Å; G202-M266 CarbonylContact O-C 3.34Å; G202-M266 VanDerWaalsContact O-CA 3.29Å; G202-M266 WeakPolarHBondContact O-CA 3.25Å; G202-A267 PolarHBondContact O-N 3.25Å
203N98.8Very high97.6Very high3 Ų322.8 Ų22.82%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-124.7135.7170.4160.4-110000109.6L180 V181 G183 A184 A267 G269 Y275L180-N203 HydrophobicContact CD1-CB 4.33Å; V181-N203 PolarHBondContact O-N 3.31Å; G183-N203 CarbonylContact C-O 3.6Å; G183-N203 WeakPolarHBondContact CA-O 3.34Å; G183-N203 PolarHBondContact N-O 3.44Å; A184-N203 PolarHBondContact N-O 3.05Å; N203-A267 WeakPolarHBondContact CA-O 3.17Å; N203-A267 PolarHBondContact ND2-O 3.45Å; N203-G269 PolarHBondContact ND2-O 2.87Å; N203-Y275 HydrophobicContact CB-CE2 3.6Å; N203-Y275 WeakPolarHBondContact CB-OH 3.43Å
204E98.2Very high97.6Very high23 Ų2325.7 Ų25.711%0.10712%0.121CC..EExtended strand (participates in β ladder)trans-145.8137.6176.3179.454.6-113.900109.9G185 S206 M209 L210 M266 A267 A268 G269G185-E204 WeakPolarHBondContact CA-OE2 3.26Å; G185-E204 PolarHBondContact N-OE2 2.76Å; E204-S206 WeakPolarHBondContact OE1-CB 3.46Å; E204-S206 PolarHBondContact OE1-N 2.84Å; E204-M209 HydrophobicContact CG-CB 3.55Å; E204-M209 HydrophobicContact CG-CG 4.36Å; E204-L210 HydrophobicContact CB-CD2 3.88Å; E204-L210 HydrophobicContact CB-CG 4.16Å; E204-L210 HydrophobicContact CG-CD2 4.24Å; E204-L210 HydrophobicContact CG-CG 3.98Å; E204-M266 HydrophobicContact CB-CE 3.75Å; E204-A267 PolarHBondContact N-O 3.11Å; E204-A268 WeakPolarHBondContact O-CA 3.48Å; E204-G269 PolarHBondContact O-N 3.44Å
205W95.1Very high97.5Very high158 Ų15825.7 Ų25.760%0.59812%0.121SC*.  trans-95.6-38179.5173.275.5000111.3L207W205-L207 PolarHBondContact O-N 3.34Å
206S95.8Very high97.6Very high24 Ų2422.5 Ų22.517%0.16811%0.106CC..  trans-73.6120.5-171.4-165.80000111.8E204 Y208 M209 L210E204-S206 WeakPolarHBondContact OE1-CB 3.46Å; E204-S206 PolarHBondContact OE1-N 2.84Å; S206-Y208 PolarHBondContact O-N 2.93Å; S206-Y208 VanDerWaalsContact O-N 3.15Å; S206-Y208 PolarHBondContact OG-N 3.29Å; S206-M209 WeakPolarHBondContact O-CA 3.41Å; S206-M209 PolarHBondContact O-N 3.28Å; S206-L210 PolarHBondContact O-N 3.37Å
207L95.5Very high97.5Very high14 Ų1420.6 Ų20.67%0.07310%0.096CC..Hα-helixtrans-58.6-26.3169.4-67.6177.3000112.7H18 F19 T22 F88 W205 M209 L210 I211H18-L207 VanDerWaalsContact CD2-CD1 3.44Å; H18-L207 WeakPolarHBondContact CD2-CD1 3.27Å; F19-L207 VanDerWaalsContact CA-CD1 3.48Å; F19-L207 HydrophobicContact CB-CD1 3.83Å; F19-L207 HydrophobicContact CD2-CD1 4.01Å; F19-L207 HydrophobicContact CD2-CD2 4.19Å; F19-L207 HydrophobicContact CG-CD1 4.44Å; T22-L207 HydrophobicContact CG2-CB 3.82Å; F88-L207 HydrophobicContact CE2-CD2 4.33Å; W205-L207 PolarHBondContact O-N 3.34Å; L207-M209 PolarHBondContact O-N 3.12Å; L207-L210 HydrophobicContact CD2-CD1 4.08Å; L207-I211 HydrophobicContact CB-CD1 4.27Å; L207-I211 WeakPolarHBondContact O-CB 3.4Å; L207-I211 WeakPolarHBondContact O-CD1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.26Å; L207-I211 PolarHBondContact O-N 3.15Å; L207-I211 VanDerWaalsContact O-N 3.11Å
208Y96.8Very high97.4Very high10 Ų1023.9 Ų23.94%0.03911%0.111CC..Hα-helixtrans-65.3-21.2173.6-67.8-90.9000113.2T22 A25 F26 K132 V133 A136 S206 P212T22-Y208 HydrophobicContact CG2-CD1 4.13Å; T22-Y208 HydrophobicContact CG2-CD2 4Å; T22-Y208 HydrophobicContact CG2-CE1 4.02Å; T22-Y208 HydrophobicContact CG2-CE2 3.86Å; T22-Y208 HydrophobicContact CG2-CG 4.12Å; A25-Y208 HydrophobicContact CB-CE1 4.27Å; F26-Y208 HydrophobicContact CD2-CD1 4.48Å; F26-Y208 AromaticContact CE2-CD1 3.75Å; F26-Y208 HydrophobicContact CE2-CD1 3.75Å; F26-Y208 HydrophobicContact CE2-CE1 4.34Å; F26-Y208 HydrophobicContact CE2-CG 4.37Å; F26-Y208 HydrophobicContact CZ-CD1 4.04Å; K132-Y208 HydrophobicContact CB-CD1 3.73Å; K132-Y208 HydrophobicContact CB-CD2 4.22Å; K132-Y208 HydrophobicContact CB-CE1 3.71Å; K132-Y208 HydrophobicContact CB-CE2 4.23Å; K132-Y208 HydrophobicContact CB-CG 3.99Å; K132-Y208 HydrophobicContact CD-CD2 4.05Å; K132-Y208 HydrophobicContact CD-CE2 3.75Å; V133-Y208 HydrophobicContact CG2-CD1 4.11Å; V133-Y208 HydrophobicContact CG2-CE1 3.73Å; A136-Y208 VanDerWaalsContact CB-O 3.24Å; A136-Y208 WeakPolarHBondContact CB-O 3.3Å; S206-Y208 PolarHBondContact O-N 2.93Å; S206-Y208 VanDerWaalsContact O-N 3.15Å; S206-Y208 PolarHBondContact OG-N 3.29Å; Y208-P212 VanDerWaalsContact O-CD 3.25Å; Y208-P212 WeakPolarHBondContact O-CD 3.41Å; Y208-P212 VanDerWaalsContact O-CG 3.31Å; Y208-P212 WeakPolarHBondContact O-CG 3.3Å
209M97.8Very high97.3Very high30 Ų3025.3 Ų25.315%0.14812%0.12CC..Hα-helixtrans-100.2-44.5174.8-61.5-56.2179.800111.3Q139 L186 E204 S206 L207 I211 P212 A213Q139-M209 HydrophobicContact CG-CE 3.84Å; Q139-M209 HydrophobicContact CG-SD 3.94Å; L186-M209 HydrophobicContact CD2-CB 4.43Å; L186-M209 HydrophobicContact CD2-SD 4.12Å; E204-M209 HydrophobicContact CG-CB 3.55Å; E204-M209 HydrophobicContact CG-CG 4.36Å; S206-M209 WeakPolarHBondContact O-CA 3.41Å; S206-M209 PolarHBondContact O-N 3.28Å; L207-M209 PolarHBondContact O-N 3.12Å; M209-I211 PolarHBondContact O-N 3.14Å; M209-P212 WeakPolarHBondContact O-CD 3.39Å; M209-A213 WeakPolarHBondContact O-CB 3.47Å; M209-A213 PolarHBondContact O-N 3.4Å
210L96.9Very high97.2Very high17 Ų1724.6 Ų24.69%0.08912%0.115CC..Hα-helixtrans-58.8-43-179.1-71.7165.2000113E204 S206 L207 A213 Y214 M266 A268E204-L210 HydrophobicContact CB-CD2 3.88Å; E204-L210 HydrophobicContact CB-CG 4.16Å; E204-L210 HydrophobicContact CG-CD2 4.24Å; E204-L210 HydrophobicContact CG-CG 3.98Å; S206-L210 PolarHBondContact O-N 3.37Å; L207-L210 HydrophobicContact CD2-CD1 4.08Å; L210-A213 PolarHBondContact O-N 2.91Å; L210-Y214 VanDerWaalsContact O-CB 3.3Å; L210-Y214 WeakPolarHBondContact O-CB 3.34Å; L210-Y214 PolarHBondContact O-N 3.28Å; L210-M266 HydrophobicContact CD2-CE 4.32Å; L210-A268 HydrophobicContact CD1-CB 3.6Å; L210-A268 HydrophobicContact CD2-CB 4.03Å; L210-A268 HydrophobicContact CG-CB 4.48Å
211I96.7Very high97Very high0 Ų029.5 Ų29.50%014%0.137CC..Hα-helixtrans-62.4-53.1-179.2-71.3159.4000111.1F19 T22 L23 F26 I79 S83 I87 L207 M209 F215F19-I211 HydrophobicContact CD2-CD1 4.45Å; F19-I211 HydrophobicContact CE2-CD1 4.19Å; F19-I211 HydrophobicContact CE2-CG1 4.35Å; T22-I211 HydrophobicContact CG2-CD1 3.93Å; L23-I211 HydrophobicContact CD2-CD1 3.58Å; L23-I211 HydrophobicContact CD2-CG1 4.35Å; L23-I211 HydrophobicContact CG-CD1 4.34Å; F26-I211 HydrophobicContact CE2-CD1 4.38Å; I79-I211 HydrophobicContact CG2-CG2 3.72Å; S83-I211 WeakPolarHBondContact CB-O 3.45Å; S83-I211 PolarHBondContact OG-O 3.39Å; I87-I211 HydrophobicContact CD1-CG1 3.93Å; L207-I211 HydrophobicContact CB-CD1 4.27Å; L207-I211 WeakPolarHBondContact O-CB 3.4Å; L207-I211 WeakPolarHBondContact O-CD1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.26Å; L207-I211 PolarHBondContact O-N 3.15Å; L207-I211 VanDerWaalsContact O-N 3.11Å; M209-I211 PolarHBondContact O-N 3.14Å; I211-F215 PolarHBondContact O-N 3.14Å
212P97.9Very high96.9Very high0 Ų033.5 Ų33.50%016%0.155CC..Hα-helixtrans-59.2-43.6170.1-32.139.8000115.1F26 F140 L186 Y208 M209 Y214 F215 I216F26-P212 HydrophobicContact CE1-CG 4.33Å; F26-P212 HydrophobicContact CZ-CG 4.03Å; F140-P212 HydrophobicContact CE2-CB 3.65Å; F140-P212 HydrophobicContact CE2-CG 4.12Å; F140-P212 HydrophobicContact CZ-CB 3.63Å; F140-P212 HydrophobicContact CZ-CG 4.38Å; L186-P212 HydrophobicContact CD2-CB 3.7Å; Y208-P212 VanDerWaalsContact O-CD 3.25Å; Y208-P212 WeakPolarHBondContact O-CD 3.41Å; Y208-P212 VanDerWaalsContact O-CG 3.31Å; Y208-P212 WeakPolarHBondContact O-CG 3.3Å; M209-P212 WeakPolarHBondContact O-CD 3.39Å; P212-Y214 VanDerWaalsContact C-N 3.31Å; P212-Y214 PolarHBondContact O-N 2.89Å; P212-F215 WeakPolarHBondContact O-CB 3.2Å; P212-F215 PolarHBondContact O-N 2.86Å; P212-I216 WeakPolarHBondContact O-CG1 3.41Å; P212-I216 PolarHBondContact O-N 2.99Å
213A98Very high96.9Very high2 Ų237.3 Ų37.32%0.01718%0.178CC..Hα-helixtrans-59.6-44.9-179.200000110.9L186 M209 L210 F215 I216 L217L186-A213 HydrophobicContact CD2-CB 4.44Å; M209-A213 WeakPolarHBondContact O-CB 3.47Å; M209-A213 PolarHBondContact O-N 3.4Å; L210-A213 PolarHBondContact O-N 2.91Å; A213-F215 VanDerWaalsContact C-N 3.34Å; A213-F215 PolarHBondContact O-N 2.99Å; A213-I216 PolarHBondContact O-N 3.41Å; A213-L217 WeakPolarHBondContact O-CB 3.26Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 2.86Å
214Y97Very high96.9Very high60 Ų6040.7 Ų40.724%0.23520%0.197CC..Hα-helixtrans-56.8-48.1175.9-173.3-75.9000111.4D86 I87 L210 P212 I216 L217 N218D86-Y214 HydrophobicContact CB-CE1 4.18Å; D86-Y214 HydrophobicContact CB-CE2 3.81Å; D86-Y214 VanDerWaalsContact CB-CZ 3.44Å; D86-Y214 WeakPolarHBondContact CB-OH 3.3Å; D86-Y214 VanDerWaalsContact CG-OH 3.27Å; D86-Y214 PolarHBondContact OD2-OH 3.4Å; I87-Y214 HydrophobicContact CD1-CD2 4.45Å; I87-Y214 HydrophobicContact CD1-CG 4.31Å; I87-Y214 HydrophobicContact CG1-CD2 4.01Å; I87-Y214 HydrophobicContact CG1-CG 4.29Å; L210-Y214 VanDerWaalsContact O-CB 3.3Å; L210-Y214 WeakPolarHBondContact O-CB 3.34Å; L210-Y214 PolarHBondContact O-N 3.28Å; P212-Y214 VanDerWaalsContact C-N 3.31Å; P212-Y214 PolarHBondContact O-N 2.89Å; Y214-I216 VanDerWaalsContact C-N 3.33Å; Y214-I216 PolarHBondContact O-N 3.27Å; Y214-L217 PolarHBondContact O-N 3.38Å; Y214-N218 HydrophobicContact CD1-CB 4.25Å; Y214-N218 VanDerWaalsContact CD2-ND2 3.29Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.41Å; Y214-N218 HydrophobicContact CE1-CB 3.85Å; Y214-N218 VanDerWaalsContact CE2-ND2 3.32Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.4Å; Y214-N218 VanDerWaalsContact O-CB 3.27Å; Y214-N218 WeakPolarHBondContact O-CB 3.17Å; Y214-N218 PolarHBondContact O-N 3.34Å; Y214-N218 PolarHBondContact O-ND2 3.15Å
215F97.6Very high96.8Very high0 Ų043 Ų430%021%0.207CC..Iπ-helixtrans-59.4-44.5179.3174.6-104.1000111.8L75 I79 H82 S83 I211 P212 A213 T219 C220 Y226 F250L75-F215 HydrophobicContact CD1-CE1 4.34Å; L75-F215 HydrophobicContact CD1-CZ 4.4Å; I79-F215 HydrophobicContact CB-CB 4.41Å; I79-F215 HydrophobicContact CB-CD2 4.47Å; I79-F215 HydrophobicContact CB-CG 4.23Å; I79-F215 HydrophobicContact CD1-CD1 4.44Å; I79-F215 HydrophobicContact CG1-CB 4.22Å; I79-F215 HydrophobicContact CG1-CD1 3.57Å; I79-F215 HydrophobicContact CG1-CD2 4.17Å; I79-F215 HydrophobicContact CG1-CE1 3.87Å; I79-F215 HydrophobicContact CG1-CE2 4.43Å; I79-F215 HydrophobicContact CG1-CG 3.72Å; I79-F215 HydrophobicContact CG1-CZ 4.27Å; I79-F215 HydrophobicContact CG2-CB 4.01Å; I79-F215 HydrophobicContact CG2-CG 4.38Å; H82-F215 HydrophobicContact CB-CD2 4.07Å; H82-F215 AromaticContact ND1-CE2 3.97Å; S83-F215 PolarHBondContact OG-N 3.36Å; I211-F215 PolarHBondContact O-N 3.14Å; P212-F215 WeakPolarHBondContact O-CB 3.2Å; P212-F215 PolarHBondContact O-N 2.86Å; A213-F215 VanDerWaalsContact C-N 3.34Å; A213-F215 PolarHBondContact O-N 2.99Å; F215-T219 HydrophobicContact CD2-CG2 4.14Å; F215-T219 HydrophobicContact CE2-CG2 3.91Å; F215-T219 WeakPolarHBondContact O-CA 3.38Å; F215-T219 WeakPolarHBondContact O-CB 3.37Å; F215-T219 PolarHBondContact O-N 3.28Å; F215-T219 PolarHBondContact O-OG1 3.1Å; F215-C220 PolarHBondContact O-N 2.97Å; F215-Y226 HydrophobicContact CE1-CD2 4.08Å; F215-Y226 HydrophobicContact CE1-CE2 4.02Å; F215-Y226 HydrophobicContact CE1-CG 4.4Å; F215-Y226 HydrophobicContact CZ-CD1 4.25Å; F215-Y226 HydrophobicContact CZ-CD2 4.1Å; F215-Y226 AromaticContact CZ-CE1 3.83Å; F215-Y226 HydrophobicContact CZ-CE1 3.83Å; F215-Y226 AromaticContact CZ-CE2 3.65Å; F215-Y226 HydrophobicContact CZ-CE2 3.65Å; F215-Y226 HydrophobicContact CZ-CG 4.38Å; F215-Y226 AromaticContact CZ-CZ 3.51Å; F215-F250 HydrophobicContact CD1-CE2 4.46Å; F215-F250 AromaticContact CE1-CE2 4Å; F215-F250 HydrophobicContact CE1-CE2 4Å; F215-F250 HydrophobicContact CE1-CZ 4.3Å
216I98.3Very high97Very high0 Ų037.8 Ų37.80%019%0.188CC..Iπ-helixtrans-66.3-53.8-179.5-62.2168.6000110.5F140 W144 L186 P212 A213 Y214 N218 C220 F250 P251 P255F140-I216 HydrophobicContact CD1-CD1 3.63Å; F140-I216 HydrophobicContact CD1-CG1 4.22Å; F140-I216 HydrophobicContact CE1-CD1 3.48Å; F140-I216 VanDerWaalsContact CE1-CD1 3.48Å; F140-I216 HydrophobicContact CE1-CG1 3.71Å; F140-I216 HydrophobicContact CG-CD1 4.44Å; F140-I216 HydrophobicContact CZ-CD1 4.19Å; F140-I216 HydrophobicContact CZ-CG1 4.5Å; W144-I216 HydrophobicContact CB-CD1 4.36Å; W144-I216 HydrophobicContact CD2-CG2 3.54Å; W144-I216 HydrophobicContact CE3-CG2 4.04Å; W144-I216 HydrophobicContact CG-CD1 3.89Å; W144-I216 HydrophobicContact CG-CG2 3.77Å; W144-I216 HydrophobicContact CH2-CG2 4.46Å; W144-I216 HydrophobicContact CZ2-CG2 4.04Å; W144-I216 HydrophobicContact CZ3-CG2 4.45Å; L186-I216 HydrophobicContact CB-CD1 4.35Å; L186-I216 HydrophobicContact CD1-CD1 3.92Å; P212-I216 WeakPolarHBondContact O-CG1 3.41Å; P212-I216 PolarHBondContact O-N 2.99Å; A213-I216 PolarHBondContact O-N 3.41Å; Y214-I216 VanDerWaalsContact C-N 3.33Å; Y214-I216 PolarHBondContact O-N 3.27Å; I216-N218 PolarHBondContact O-N 3.42Å; I216-C220 WeakPolarHBondContact O-CB 3.36Å; I216-C220 PolarHBondContact O-N 3.06Å; I216-F250 HydrophobicContact CG1-CE2 4.45Å; I216-P251 HydrophobicContact CG2-CB 4.5Å; I216-P255 HydrophobicContact CG2-CG 3.94Å; I216-P255 WeakPolarHBondContact O-CG 3.48Å
217L97.2Very high97.1Very high20 Ų2039.3 Ų39.311%0.10519%0.191CC..Iπ-helixtrans-70.3-33-171.7-64.9174.8000112.9W144 A213 Y214 P255 F264 M266W144-L217 HydrophobicContact CH2-CD2 3.86Å; W144-L217 HydrophobicContact CZ2-CD2 3.54Å; A213-L217 WeakPolarHBondContact O-CB 3.26Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 2.86Å; Y214-L217 PolarHBondContact O-N 3.38Å; L217-P255 HydrophobicContact CD2-CB 4.3Å; L217-F264 HydrophobicContact CD1-CE1 3.87Å; L217-F264 HydrophobicContact CD1-CZ 3.83Å; L217-F264 HydrophobicContact CD2-CE1 3.81Å; L217-F264 HydrophobicContact CD2-CZ 4.12Å; L217-F264 HydrophobicContact CG-CE1 4.33Å; L217-M266 HydrophobicContact CD1-CG 4Å
218N95.6Very high97.2Very high80 Ų8038.7 Ų38.743%0.42819%0.188SC..Iπ-helixtrans-104.2-30.5-173.7-59.6-58.2000113.6Y214 I216 K221Y214-N218 HydrophobicContact CD1-CB 4.25Å; Y214-N218 VanDerWaalsContact CD2-ND2 3.29Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.41Å; Y214-N218 HydrophobicContact CE1-CB 3.85Å; Y214-N218 VanDerWaalsContact CE2-ND2 3.32Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.4Å; Y214-N218 VanDerWaalsContact O-CB 3.27Å; Y214-N218 WeakPolarHBondContact O-CB 3.17Å; Y214-N218 PolarHBondContact O-N 3.34Å; Y214-N218 PolarHBondContact O-ND2 3.15Å; I216-N218 PolarHBondContact O-N 3.42Å; N218-K221 VanDerWaalsContact O-CE 3.27Å; N218-K221 WeakPolarHBondContact O-CE 3.37Å; N218-K221 PolarHBondContact O-NZ 3.44Å
219T95.3Very high97.3Very high30 Ų3039.8 Ų39.818%0.18419%0.192CC..Iπ-helixtrans-101.1-41.7-174.1-440000113.4H82 F215 K221H82-T219 HydrophobicContact CB-CG2 4.24Å; F215-T219 HydrophobicContact CD2-CG2 4.14Å; F215-T219 HydrophobicContact CE2-CG2 3.91Å; F215-T219 WeakPolarHBondContact O-CA 3.38Å; F215-T219 WeakPolarHBondContact O-CB 3.37Å; F215-T219 PolarHBondContact O-N 3.28Å; F215-T219 PolarHBondContact O-OG1 3.1Å; T219-K221 PolarHBondContact O-N 3.4Å
220C96.8Very high97.3Very high0 Ų038.6 Ų38.60%019%0.187CC..  trans-70.5128.1-177-59.30000110.9F215 I216 Y226 P251 P255F215-C220 PolarHBondContact O-N 2.97Å; I216-C220 WeakPolarHBondContact O-CB 3.36Å; I216-C220 PolarHBondContact O-N 3.06Å; C220-Y226 HydrophobicContact CB-CE2 4.39Å; C220-Y226 WeakPolarHBondContact SG-CE2 3.34Å; C220-P251 HydrophobicContact CB-CG 3.79Å; C220-P255 HydrophobicContact CB-CG 4.36Å
221K94.5Very high97.4Very high104 Ų10438.2 Ų38.245%0.45218%0.184SC..  trans-126.2-10.4-178.1-57.1-59.1168.8-160.10113.7N218 T219 E225 C254 A256N218-K221 VanDerWaalsContact O-CE 3.27Å; N218-K221 WeakPolarHBondContact O-CE 3.37Å; N218-K221 PolarHBondContact O-NZ 3.44Å; T219-K221 PolarHBondContact O-N 3.4Å; K221-E225 PolarHBondContact N-OE2 2.94Å; K221-C254 PolarHBondContact O-SG 3.22Å; K221-A256 HydrophobicContact CD-CB 4.1Å
222Q96.6Very high97.4Very high129 Ų12938.4 Ų38.460%0.60319%0.185SC*.SBendtrans-123.4145.9179.8-66.4176.967.900111.1N224 E225 P251Q222-N224 PolarHBondContact O-N 3.35Å; Q222-E225 HydrophobicContact CB-CB 4.04Å; Q222-E225 HydrophobicContact CB-CG 4.37Å; Q222-E225 PolarHBondContact N-OE2 2.95Å; Q222-E225 VanDerWaalsContact O-CB 3.31Å; Q222-E225 WeakPolarHBondContact O-CB 3.5Å; Q222-E225 PolarHBondContact O-N 2.86Å; Q222-P251 WeakPolarHBondContact O-CD 3.38Å
223V98.3Very high97.2Very high80 Ų8039.3 Ų39.349%0.48519%0.194SC..THydrogen-bonded Turntrans-65133.1173.4175.10000109E225 P251V223-E225 PolarHBondContact O-N 2.95Å; V223-P251 CarbonylContact C-O 3.56Å; V223-P251 VanDerWaalsContact CA-O 3.32Å; V223-P251 WeakPolarHBondContact CA-O 3.43Å
224N98.3Very high97.1Very high74 Ų7441 Ų4140%0.39620%0.202SC..THydrogen-bonded Turntrans56.130.5-179-63-32.6000113.9Q222 Y226 Y249 F250 P251Q222-N224 PolarHBondContact O-N 3.35Å; N224-Y226 VanDerWaalsContact C-N 3.27Å; N224-Y226 PolarHBondContact O-N 2.78Å; N224-Y249 HydrophobicContact CB-CD1 4.43Å; N224-Y249 HydrophobicContact CB-CG 4.49Å; N224-F250 CarbonylContact C-O 3.5Å; N224-P251 PolarHBondContact N-O 2.92Å
225E97.4Very high97Very high70 Ų7039.9 Ų39.933%0.32720%0.199SC..  trans-59.8-36.9-179.7-174.2169.1-173.100112.7K221 Q222 V223 F250K221-E225 PolarHBondContact N-OE2 2.94Å; Q222-E225 HydrophobicContact CB-CB 4.04Å; Q222-E225 HydrophobicContact CB-CG 4.37Å; Q222-E225 PolarHBondContact N-OE2 2.95Å; Q222-E225 VanDerWaalsContact O-CB 3.31Å; Q222-E225 WeakPolarHBondContact O-CB 3.5Å; Q222-E225 PolarHBondContact O-N 2.86Å; V223-E225 PolarHBondContact O-N 2.95Å; E225-F250 PolarHBondContact N-O 3.23Å
226Y98.4Very high96.9Very high49 Ų4944 Ų4419%0.19223%0.226CC..EExtended strand (participates in β ladder)trans-117158.5-177-62.3-80000111.8L75 F215 C220 N224 Y249 F250L75-Y226 HydrophobicContact CD1-CD1 3.86Å; L75-Y226 HydrophobicContact CD1-CG 4.29Å; F215-Y226 HydrophobicContact CE1-CD2 4.08Å; F215-Y226 HydrophobicContact CE1-CE2 4.02Å; F215-Y226 HydrophobicContact CE1-CG 4.4Å; F215-Y226 HydrophobicContact CZ-CD1 4.25Å; F215-Y226 HydrophobicContact CZ-CD2 4.1Å; F215-Y226 AromaticContact CZ-CE1 3.83Å; F215-Y226 HydrophobicContact CZ-CE1 3.83Å; F215-Y226 AromaticContact CZ-CE2 3.65Å; F215-Y226 HydrophobicContact CZ-CE2 3.65Å; F215-Y226 HydrophobicContact CZ-CG 4.38Å; F215-Y226 AromaticContact CZ-CZ 3.51Å; C220-Y226 HydrophobicContact CB-CE2 4.39Å; C220-Y226 WeakPolarHBondContact SG-CE2 3.34Å; N224-Y226 VanDerWaalsContact C-N 3.27Å; N224-Y226 PolarHBondContact O-N 2.78Å; Y226-Y249 CarbonylContact O-C 3.58Å; Y226-Y249 VanDerWaalsContact O-CA 3.29Å; Y226-Y249 WeakPolarHBondContact O-CA 3.33Å; Y226-F250 HydrophobicContact CD2-CE2 4.14Å; Y226-F250 HydrophobicContact CD2-CZ 4.46Å; Y226-F250 HydrophobicContact CG-CE2 4.21Å; Y226-F250 HydrophobicContact CG-CZ 4.07Å; Y226-F250 PolarHBondContact N-O 2.97Å; Y226-F250 PolarHBondContact O-N 3.2Å
227K98.3Very high96.9Very high57 Ų5747.4 Ų47.425%0.24824%0.244CC..EExtended strand (participates in β ladder)trans-127.7139.5177.2-178.5178.664.6173.70109.3H71 Y229 P247 V248 Y249H71-K227 PolarHBondContact NE2-O 3.1Å; K227-Y229 WeakPolarHBondContact CE-OH 3.41Å; K227-Y229 PolarHBondContact NZ-OH 3.46Å; K227-P247 HydrophobicContact CD-CB 3.69Å; K227-P247 HydrophobicContact CG-CB 3.85Å; K227-V248 CarbonylContact C-O 3.57Å; K227-V248 WeakPolarHBondContact CA-O 3.3Å; K227-Y249 HydrophobicContact CB-CD1 4.08Å; K227-Y249 HydrophobicContact CB-CE1 4.05Å; K227-Y249 HydrophobicContact CD-CE1 3.99Å; K227-Y249 HydrophobicContact CD-CE2 4.4Å; K227-Y249 HydrophobicContact CG-CD1 4.4Å; K227-Y249 HydrophobicContact CG-CE1 4.16Å
228L98.2Very high96.8Very high0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-131.2150.5177176.568.8000109.8N72 L75 L137 F140 P230 V248 F250N72-L228 HydrophobicContact CB-CD1 4.43Å; N72-L228 WeakPolarHBondContact OD1-CD1 3.47Å; L75-L228 HydrophobicContact CD2-CB 4.1Å; L75-L228 HydrophobicContact CD2-CD1 3.88Å; L137-L228 HydrophobicContact CB-CD2 4.22Å; L137-L228 HydrophobicContact CD1-CD1 4.49Å; L137-L228 HydrophobicContact CD2-CD1 3.97Å; L137-L228 HydrophobicContact CD2-CD2 4.44Å; L137-L228 WeakPolarHBondContact O-CD2 3.19Å; F140-L228 HydrophobicContact CB-CD2 3.85Å; F140-L228 HydrophobicContact CD2-CD2 4.27Å; F140-L228 HydrophobicContact CG-CD2 4.14Å; L228-P230 HydrophobicContact CD2-CB 4.23Å; L228-P230 HydrophobicContact CG-CB 4.47Å; L228-P230 VanDerWaalsContact O-CD 3.3Å; L228-P230 WeakPolarHBondContact O-CD 3.38Å; L228-V248 PolarHBondContact N-O 3.2Å; L228-V248 PolarHBondContact O-N 3.25Å; L228-F250 HydrophobicContact CB-CD1 4.34Å; L228-F250 HydrophobicContact CB-CE1 3.97Å
229Y98.6Very high96.9Very high34 Ų3450.9 Ų50.913%0.13326%0.26CS..  trans-110.584.3168.1-58-82000110.2C68 H71 N72 K227 W231 I232 M245 P247C68-Y229 HydrophobicContact CB-CD1 4.27Å; C68-Y229 HydrophobicContact CB-CD2 3.69Å; C68-Y229 HydrophobicContact CB-CE2 4.12Å; C68-Y229 HydrophobicContact CB-CG 3.77Å; H71-Y229 HydrophobicContact CB-CD2 4.21Å; H71-Y229 HydrophobicContact CB-CE2 3.86Å; H71-Y229 AromaticContact CD2-CD2 3.81Å; H71-Y229 AromaticContact CD2-CE2 3.65Å; H71-Y229 AromaticContact CG-CE2 3.63Å; N72-Y229 PolarHBondContact ND2-O 3.42Å; N72-Y229 WeakPolarHBondContact OD1-CD2 3.26Å; N72-Y229 PolarHBondContact OD1-N 2.82Å; K227-Y229 WeakPolarHBondContact CE-OH 3.41Å; K227-Y229 PolarHBondContact NZ-OH 3.46Å; Y229-W231 VanDerWaalsContact C-N 3.28Å; Y229-W231 PolarHBondContact O-N 3.28Å; Y229-I232 VanDerWaalsContact CB-CG2 3.5Å; Y229-I232 HydrophobicContact CG-CG2 4.43Å; Y229-I232 WeakPolarHBondContact O-CG1 3.37Å; Y229-M245 WeakPolarHBondContact CD1-O 3.32Å; Y229-M245 WeakPolarHBondContact CE1-O 3.42Å; Y229-P247 HydrophobicContact CD1-CB 4.08Å; Y229-P247 HydrophobicContact CE1-CB 3.67Å; Y229-P247 HydrophobicContact CE1-CG 4.44Å
230P98Very high96.9Very high5 Ų551.2 Ų51.23%0.03226%0.264CS..THydrogen-bonded Turntrans-71.4-20.1-169.428.1-36.3000113.9V141 L228 V248V141-P230 HydrophobicContact CG2-CB 3.66Å; V141-P230 HydrophobicContact CG2-CG 3.53Å; L228-P230 HydrophobicContact CD2-CB 4.23Å; L228-P230 HydrophobicContact CG-CB 4.47Å; L228-P230 VanDerWaalsContact O-CD 3.3Å; L228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-V248 HydrophobicContact CG-CB 4.23Å; P230-V248 HydrophobicContact CG-CG2 3.67Å
231W97.8Very high96.8Very high9 Ų953.7 Ų53.73%0.03427%0.273CS..THydrogen-bonded Turntrans-98.3-2.1-171.5-43127.9000114.6K138 V141 Y229 G233 Q234 Q244 Q363 N364K138-W231 HydrophobicContact CB-CZ3 4.38Å; K138-W231 HydrophobicContact CD-CE3 4.44Å; K138-W231 HydrophobicContact CD-CZ3 3.81Å; K138-W231 HydrophobicContact CG-CE3 4.26Å; K138-W231 HydrophobicContact CG-CZ3 3.7Å; V141-W231 HydrophobicContact CG1-CZ2 4.2Å; V141-W231 HydrophobicContact CG2-CH2 4.22Å; V141-W231 HydrophobicContact CG2-CZ2 4.1Å; Y229-W231 VanDerWaalsContact C-N 3.28Å; Y229-W231 PolarHBondContact O-N 3.28Å; W231-G233 PolarHBondContact O-N 3.21Å; W231-G233 VanDerWaalsContact O-N 3.11Å; W231-Q234 WeakPolarHBondContact O-CB 3.33Å; W231-Q234 PolarHBondContact O-N 3.3Å; W231-Q244 CarbonylContact C-O 3.57Å; W231-Q363 WeakPolarHBondContact CH2-O 3.23Å; W231-N364 HydrophobicContact CD2-CB 3.69Å; W231-N364 HydrophobicContact CE3-CB 3.6Å; W231-N364 HydrophobicContact CG-CB 4.33Å; W231-N364 HydrophobicContact CH2-CB 4.05Å; W231-N364 HydrophobicContact CZ2-CB 4.14Å; W231-N364 HydrophobicContact CZ3-CB 3.77Å
232I97.1Very high96.8Very high3 Ų354.2 Ų54.22%0.01528%0.277CS..THydrogen-bonded Turntrans-62.8-26.5-171.960.4-179.2000114.1L33 C68 I69 N72 Y229 Q234 Q244L33-I232 HydrophobicContact CD1-CD1 4.17Å; L33-I232 HydrophobicContact CD1-CG1 4.1Å; C68-I232 HydrophobicContact CB-CD1 4.5Å; C68-I232 HydrophobicContact CB-CG2 3.68Å; I69-I232 HydrophobicContact CB-CD1 4.31Å; I69-I232 HydrophobicContact CG1-CD1 3.71Å; I69-I232 HydrophobicContact CG1-CG1 4.47Å; N72-I232 HydrophobicContact CB-CD1 4.3Å; N72-I232 WeakPolarHBondContact ND2-CD1 3.37Å; Y229-I232 VanDerWaalsContact CB-CG2 3.5Å; Y229-I232 HydrophobicContact CG-CG2 4.43Å; Y229-I232 WeakPolarHBondContact O-CG1 3.37Å; I232-Q234 VanDerWaalsContact C-N 3.28Å; I232-Q234 PolarHBondContact O-N 2.7Å; I232-Q244 PolarHBondContact N-O 3Å; I232-Q244 PolarHBondContact O-NE2 3.5Å
233G94.4Very high96.8Very high19 Ų1949.7 Ų49.720%0.19626%0.257CS..THydrogen-bonded Turntrans-74.9-13.1174.200000114.3W231 F235W231-G233 PolarHBondContact O-N 3.21Å; W231-G233 VanDerWaalsContact O-N 3.11Å; G233-F235 WeakPolarHBondContact O-CD2 3.4Å; G233-F235 PolarHBondContact O-N 2.86Å
234Q95.5Very high96.8Very high38 Ų3845.9 Ų45.918%0.17823%0.234CC..  trans-89.799.3-179.5-179.6174.8-39.800110.3W231 I232 C236 N238 Q244 S367W231-Q234 WeakPolarHBondContact O-CB 3.33Å; W231-Q234 PolarHBondContact O-N 3.3Å; I232-Q234 VanDerWaalsContact C-N 3.28Å; I232-Q234 PolarHBondContact O-N 2.7Å; Q234-C236 VanDerWaalsContact CG-O 3.25Å; Q234-C236 WeakPolarHBondContact CG-O 3.4Å; Q234-C236 PolarHBondContact NE2-O 3.29Å; Q234-N238 PolarHBondContact O-ND2 3.27Å; Q234-Q244 WeakPolarHBondContact O-CG 3.34Å; Q234-Q244 PolarHBondContact O-NE2 3.2Å; Q234-S367 PolarHBondContact NE2-OG 3.22Å; Q234-S367 VanDerWaalsContact NE2-OG 3.12Å
235F94.9Very high96.8Very high37 Ų3743.5 Ų43.516%0.16222%0.221CC..  trans-90.8-9.6179.6-74.3-96.1000114.2R36 V37 V65 G233R36-F235 HydrophobicContact CG-CD2 4.35Å; R36-F235 HydrophobicContact CG-CE2 3.93Å; R36-F235 HydrophobicContact CG-CZ 4.32Å; V37-F235 HydrophobicContact CG2-CE1 4.4Å; V37-F235 HydrophobicContact CG2-CZ 3.86Å; V65-F235 HydrophobicContact CG1-CZ 4.37Å; G233-F235 WeakPolarHBondContact O-CD2 3.4Å; G233-F235 PolarHBondContact O-N 2.86Å
236C95.7Very high96.8Very high86 Ų8641.5 Ų41.558%0.58122%0.217SC*.SBendtrans-113.2160.2-178.2-58.70000110.5Q234 N238Q234-C236 VanDerWaalsContact CG-O 3.25Å; Q234-C236 WeakPolarHBondContact CG-O 3.4Å; Q234-C236 PolarHBondContact NE2-O 3.29Å; C236-N238 VanDerWaalsContact C-N 3.33Å; C236-N238 PolarHBondContact O-N 3.24Å; C236-N238 PolarHBondContact O-OD1 2.95Å
237N97.2Very high96.8Very high71 Ų7141.9 Ų41.938%0.3823%0.225SC..SBendtrans58.639.6176.6-58.1-39.2000113.7S367 M368 L369N237-S367 WeakPolarHBondContact O-CA 3.37Å; N237-M368 HydrophobicContact CB-CB 3.96Å; N237-M368 PolarHBondContact O-N 3.05Å; N237-L369 HydrophobicContact CB-CB 4.06Å; N237-L369 WeakPolarHBondContact ND2-CB 3.29Å
238N96.8Very high96.8Very high30 Ų3039.3 Ų39.316%0.1621%0.214CC..BIsolated β-bridgetrans-108129.1176.2-61.2-34.6000109.5Q234 C236Q234-N238 PolarHBondContact O-ND2 3.27Å; C236-N238 VanDerWaalsContact C-N 3.33Å; C236-N238 PolarHBondContact O-N 3.24Å; C236-N238 PolarHBondContact O-OD1 2.95Å
239M96.3Very high96.8Very high144 Ų14444.3 Ų44.371%0.70923%0.234SC*.SBendtrans-70.6-40.2170.6-72.3-63.2-67.700111.2M368M239-M368 HydrophobicContact CG-CG 3.81Å; M239-M368 HydrophobicContact CG-SD 4.46Å; M239-M368 HydrophobicContact SD-CE 4.16Å; M239-M368 HydrophobicContact SD-CG 3.71Å; M239-M368 HydrophobicContact SD-SD 3.87Å
240S95.8Very high96.8Very high37 Ų3742.8 Ų42.826%0.25923%0.228SC..  trans-137.8167.7177.673.90000112.2E242 D243S240-E242 VanDerWaalsContact C-N 3.32Å; S240-E242 WeakPolarHBondContact CB-OE2 3.47Å; S240-D243 WeakPolarHBondContact CB-OD2 3.32Å; S240-D243 PolarHBondContact N-OD2 3.24Å; S240-D243 PolarHBondContact OG-N 3.11Å; S240-D243 PolarHBondContact OG-OD2 3.09Å
241R94Very high96.8Very high51 Ų5142.5 Ų42.519%0.19223%0.226CC..Hα-helixtrans-76.8-27.3172.6-74.8-68.1-172.9-159.3-5.8111.2N61 D243 Q244 M245N61-R241 HydrophobicContact CB-CB 4.49Å; N61-R241 HydrophobicContact CB-CG 4.01Å; R241-D243 VanDerWaalsContact C-N 3.28Å; R241-D243 PolarHBondContact O-N 3.48Å; R241-Q244 PolarHBondContact O-N 3.43Å; R241-M245 HydrophobicContact CB-CE 4.09Å; R241-M245 WeakPolarHBondContact O-CE 3.37Å; R241-M245 WeakPolarHBondContact O-CG 3.44Å; R241-M245 PolarHBondContact O-N 2.95Å; R241-M245 VanDerWaalsContact O-N 3.07Å
242E96.4Very high96.9Very high115 Ų11543.6 Ų43.654%0.53723%0.232SC..Hα-helixtrans-58.4-42.3172.7-66.466-150.600110.3S240 Q244 M245 A246S240-E242 VanDerWaalsContact C-N 3.32Å; S240-E242 WeakPolarHBondContact CB-OE2 3.47Å; E242-Q244 PolarHBondContact O-N 3.48Å; E242-M245 CarbonylContact O-C 3.58Å; E242-M245 PolarHBondContact O-N 3.45Å; E242-A246 PolarHBondContact O-N 2.87Å
243D96.6Very high96.9Very high35 Ų3545.4 Ų45.419%0.18724%0.244CC..Hα-helixtrans-62.2-42.8175-64.7-48.4000112.6S240 R241 M245 A246 S366S240-D243 WeakPolarHBondContact CB-OD2 3.32Å; S240-D243 PolarHBondContact N-OD2 3.24Å; S240-D243 PolarHBondContact OG-N 3.11Å; S240-D243 PolarHBondContact OG-OD2 3.09Å; R241-D243 VanDerWaalsContact C-N 3.28Å; R241-D243 PolarHBondContact O-N 3.48Å; D243-M245 PolarHBondContact O-N 3.27Å; D243-A246 WeakPolarHBondContact O-CB 3.34Å; D243-A246 PolarHBondContact O-N 2.63Å; D243-S366 VanDerWaalsContact CG-CB 3.45Å; D243-S366 VanDerWaalsContact OD1-CB 3.26Å; D243-S366 WeakPolarHBondContact OD1-CB 3.3Å; D243-S366 PolarHBondContact OD1-OG 2.85Å
244Q97.1Very high97.1Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-63.7-32.6177.3-176.3-175.19.400112.1W231 I232 Q234 R241 E242W231-Q244 CarbonylContact C-O 3.57Å; I232-Q244 PolarHBondContact N-O 3Å; I232-Q244 PolarHBondContact O-NE2 3.5Å; Q234-Q244 WeakPolarHBondContact O-CG 3.34Å; Q234-Q244 PolarHBondContact O-NE2 3.2Å; R241-Q244 PolarHBondContact O-N 3.43Å; E242-Q244 PolarHBondContact O-N 3.48Å
245M97.7Very high97.1Very high23 Ų2344.4 Ų44.411%0.11324%0.238CC..THydrogen-bonded Turntrans-10315.5-177.3-61.2-177.7-63.200112.3K64 V65 Y229 R241 E242 D243 P247K64-M245 VanDerWaalsContact C-SD 3.58Å; K64-M245 HydrophobicContact CB-CE 3.85Å; K64-M245 HydrophobicContact CB-SD 3.43Å; K64-M245 WeakPolarHBondContact CB-SD 3.5Å; K64-M245 HydrophobicContact CD-CE 3.99Å; V65-M245 HydrophobicContact CB-SD 4.45Å; V65-M245 HydrophobicContact CG2-CG 3.99Å; V65-M245 HydrophobicContact CG2-SD 3.7Å; V65-M245 PolarHBondContact N-SD 3.05Å; Y229-M245 WeakPolarHBondContact CD1-O 3.32Å; Y229-M245 WeakPolarHBondContact CE1-O 3.42Å; R241-M245 HydrophobicContact CB-CE 4.09Å; R241-M245 WeakPolarHBondContact O-CE 3.37Å; R241-M245 WeakPolarHBondContact O-CG 3.44Å; R241-M245 PolarHBondContact O-N 2.95Å; R241-M245 VanDerWaalsContact O-N 3.07Å; E242-M245 CarbonylContact O-C 3.58Å; E242-M245 PolarHBondContact O-N 3.45Å; D243-M245 PolarHBondContact O-N 3.27Å; M245-P247 WeakPolarHBondContact O-CD 3.42Å
246A97.4Very high97.1Very high29 Ų2945.3 Ų45.324%0.2425%0.251CS..  trans-61.7123.7179.900000109.6E242 D243E242-A246 PolarHBondContact O-N 2.87Å; D243-A246 WeakPolarHBondContact O-CB 3.34Å; D243-A246 PolarHBondContact O-N 2.63Å
247P98.2Very high97.1Very high56 Ų5645.8 Ų45.836%0.36425%0.248SC..  trans-75.2150.617631.4-33.6000110.7K227 Y229 M245 Y249K227-P247 HydrophobicContact CD-CB 3.69Å; K227-P247 HydrophobicContact CG-CB 3.85Å; Y229-P247 HydrophobicContact CD1-CB 4.08Å; Y229-P247 HydrophobicContact CE1-CB 3.67Å; Y229-P247 HydrophobicContact CE1-CG 4.44Å; M245-P247 WeakPolarHBondContact O-CD 3.42Å; P247-Y249 HydrophobicContact CB-CE2 4.29Å; P247-Y249 HydrophobicContact CG-CE2 4.38Å
248V98.5Very high96.9Very high4 Ų444.8 Ų44.82%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-127.4136.5171.4176.30000107.8V141 S145 K227 L228 P230V141-V248 HydrophobicContact CB-CG1 4.45Å; V141-V248 HydrophobicContact CG1-CG1 4.22Å; V141-V248 HydrophobicContact CG1-CG2 4.46Å; V141-V248 HydrophobicContact CG2-CG1 4.13Å; V141-V248 HydrophobicContact CG2-CG2 4.27Å; S145-V248 WeakPolarHBondContact OG-CG1 3.29Å; K227-V248 CarbonylContact C-O 3.57Å; K227-V248 WeakPolarHBondContact CA-O 3.3Å; L228-V248 PolarHBondContact N-O 3.2Å; L228-V248 PolarHBondContact O-N 3.25Å; P230-V248 HydrophobicContact CG-CB 4.23Å; P230-V248 HydrophobicContact CG-CG2 3.67Å
249Y98.7Very high96.7Very high105 Ų10546.1 Ų46.141%0.41225%0.253SS..EExtended strand (participates in β ladder)trans-108.7141-177.3-68.7-96.8000111.1S145 N224 Y226 K227 P247S145-Y249 PolarHBondContact OG-O 3.48Å; N224-Y249 HydrophobicContact CB-CD1 4.43Å; N224-Y249 HydrophobicContact CB-CG 4.49Å; Y226-Y249 CarbonylContact O-C 3.58Å; Y226-Y249 VanDerWaalsContact O-CA 3.29Å; Y226-Y249 WeakPolarHBondContact O-CA 3.33Å; K227-Y249 HydrophobicContact CB-CD1 4.08Å; K227-Y249 HydrophobicContact CB-CE1 4.05Å; K227-Y249 HydrophobicContact CD-CE1 3.99Å; K227-Y249 HydrophobicContact CD-CE2 4.4Å; K227-Y249 HydrophobicContact CG-CD1 4.4Å; K227-Y249 HydrophobicContact CG-CE1 4.16Å; P247-Y249 HydrophobicContact CB-CE2 4.29Å; P247-Y249 HydrophobicContact CG-CE2 4.38Å
250F98.8Very high96.3Very high1 Ų144.2 Ų44.20%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-149.8158.2-178.971.3-86.3000111.1L75 F140 W144 F215 I216 N224 E225 Y226 L228L75-F250 HydrophobicContact CD1-CZ 4.1Å; L75-F250 HydrophobicContact CD2-CE1 3.81Å; L75-F250 HydrophobicContact CD2-CZ 3.85Å; F140-F250 HydrophobicContact CD1-CD1 4.1Å; F140-F250 AromaticContact CD1-CD2 3.65Å; F140-F250 HydrophobicContact CD1-CD2 3.65Å; F140-F250 AromaticContact CD1-CE1 3.94Å; F140-F250 HydrophobicContact CD1-CE1 3.94Å; F140-F250 AromaticContact CD1-CE2 3.47Å; F140-F250 HydrophobicContact CD1-CE2 3.47Å; F140-F250 VanDerWaalsContact CD1-CE2 3.47Å; F140-F250 AromaticContact CD1-CG 3.96Å; F140-F250 HydrophobicContact CD1-CG 3.96Å; F140-F250 AromaticContact CD1-CZ 3.61Å; F140-F250 HydrophobicContact CD1-CZ 3.61Å; F140-F250 HydrophobicContact CE1-CD2 4.01Å; F140-F250 HydrophobicContact CE1-CE1 4.32Å; F140-F250 AromaticContact CE1-CE2 3.39Å; F140-F250 HydrophobicContact CE1-CE2 3.39Å; F140-F250 AromaticContact CE1-CZ 3.56Å; F140-F250 HydrophobicContact CE1-CZ 3.56Å; W144-F250 HydrophobicContact CB-CB 4.29Å; W144-F250 VanDerWaalsContact O-CB 3.27Å; W144-F250 WeakPolarHBondContact O-CB 3.45Å; F215-F250 HydrophobicContact CD1-CE2 4.46Å; F215-F250 AromaticContact CE1-CE2 4Å; F215-F250 HydrophobicContact CE1-CE2 4Å; F215-F250 HydrophobicContact CE1-CZ 4.3Å; I216-F250 HydrophobicContact CG1-CE2 4.45Å; N224-F250 CarbonylContact C-O 3.5Å; E225-F250 PolarHBondContact N-O 3.23Å; Y226-F250 HydrophobicContact CD2-CE2 4.14Å; Y226-F250 HydrophobicContact CD2-CZ 4.46Å; Y226-F250 HydrophobicContact CG-CE2 4.21Å; Y226-F250 HydrophobicContact CG-CZ 4.07Å; Y226-F250 PolarHBondContact N-O 2.97Å; Y226-F250 PolarHBondContact O-N 3.2Å; L228-F250 HydrophobicContact CB-CD1 4.34Å; L228-F250 HydrophobicContact CB-CE1 3.97Å
251P98.7Very high95.7Very high0 Ų049.5 Ų49.50%029%0.286CS..  cis-77.5148.6-934.7-37.7000112.5W144 I216 C220 Q222 V223 N224 V253 P255W144-P251 HydrophobicContact CB-CB 4.36Å; W144-P251 HydrophobicContact CD2-CB 4.47Å; W144-P251 HydrophobicContact CE3-CB 3.8Å; W144-P251 CarbonylContact O-C 3.57Å; W144-P251 VanDerWaalsContact O-CA 3.24Å; W144-P251 WeakPolarHBondContact O-CA 3.37Å; I216-P251 HydrophobicContact CG2-CB 4.5Å; C220-P251 HydrophobicContact CB-CG 3.79Å; Q222-P251 WeakPolarHBondContact O-CD 3.38Å; V223-P251 CarbonylContact C-O 3.56Å; V223-P251 VanDerWaalsContact CA-O 3.32Å; V223-P251 WeakPolarHBondContact CA-O 3.43Å; N224-P251 PolarHBondContact N-O 2.92Å; P251-V253 WeakPolarHBondContact CB-O 3.33Å; P251-V253 VanDerWaalsContact CG-O 3.29Å; P251-V253 WeakPolarHBondContact CG-O 3.3Å; P251-V253 PolarHBondContact O-N 3.49Å; P251-P255 HydrophobicContact CB-CG 4.08Å; P251-P255 HydrophobicContact CG-CG 3.96Å
252D98.7Very high95.6Very high31 Ų3148.4 Ų48.417%0.16629%0.285CS..SBendtrans-75.2-12.3179.167.7-43.3000113.9W144 V146 R152 R188W144-D252 VanDerWaalsContact C-OD1 3.27Å; W144-D252 PolarHBondContact O-N 3.4Å; V146-D252 HydrophobicContact CB-CB 4.33Å; R152-D252 IonicContact CZ-OD2 2.63Å; R152-D252 IonicContact NH2-OD1 2.97Å; R152-D252 IonicContact NH2-OD2 4Å; R152-D252 PolarHBondContact NH2-OD2 3.47Å; R188-D252 IonicContact CZ-OD1 3.15Å; R188-D252 IonicContact NH1-OD1 3.94Å; R188-D252 PolarHBondContact NH1-OD1 3.02Å; R188-D252 IonicContact NH1-OD2 3.77Å; R188-D252 IonicContact NH2-OD1 3.2Å; R188-D252 IonicContact NH2-OD2 2.68Å
253V98.4Very high95.6Very high42 Ų4249.3 Ų49.326%0.25529%0.289SS..SBendtrans-134.6159171.2-69.10000108.5W144 W191 P251 P255W144-V253 HydrophobicContact CE3-CG2 4.11Å; W144-V253 HydrophobicContact CZ3-CG2 3.72Å; W191-V253 HydrophobicContact CE3-CG2 4.44Å; W191-V253 HydrophobicContact CH2-CB 4.07Å; W191-V253 HydrophobicContact CH2-CG2 3.72Å; W191-V253 HydrophobicContact CZ2-CG2 4.34Å; W191-V253 HydrophobicContact CZ3-CB 4.49Å; W191-V253 HydrophobicContact CZ3-CG2 3.78Å; P251-V253 WeakPolarHBondContact CB-O 3.33Å; P251-V253 VanDerWaalsContact CG-O 3.29Å; P251-V253 WeakPolarHBondContact CG-O 3.3Å; P251-V253 PolarHBondContact O-N 3.49Å; V253-P255 VanDerWaalsContact O-CD 3.26Å; V253-P255 WeakPolarHBondContact O-CD 3.37Å
254C97.6Very high95.6Very high32 Ų3250 Ų5022%0.21629%0.29CS..  trans-79.7117.1176.2-178.10000110.1W191 K221 A256 D257W191-C254 WeakPolarHBondContact CZ2-O 3.29Å; K221-C254 PolarHBondContact O-SG 3.22Å; C254-A256 PolarHBondContact O-N 3.41Å; C254-A256 VanDerWaalsContact O-N 3.14Å; C254-D257 HydrophobicContact CB-CB 4.15Å; C254-D257 VanDerWaalsContact O-CB 3.27Å; C254-D257 WeakPolarHBondContact O-CB 3.35Å; C254-D257 PolarHBondContact O-N 3.15Å
255P96.7Very high95.7Very high4 Ų452.2 Ų52.23%0.02631%0.306CS..THydrogen-bonded Turntrans-63.8-22.5-179.1-23.336.1000113.5W144 W191 I216 L217 C220 P251 V253 D257W144-P255 HydrophobicContact CE3-CG 4.32Å; W144-P255 HydrophobicContact CH2-CB 4.12Å; W144-P255 HydrophobicContact CH2-CG 4.14Å; W144-P255 HydrophobicContact CZ3-CB 4.21Å; W144-P255 HydrophobicContact CZ3-CG 3.79Å; W191-P255 PolarHBondContact NE1-O 3.45Å; I216-P255 HydrophobicContact CG2-CG 3.94Å; I216-P255 WeakPolarHBondContact O-CG 3.48Å; L217-P255 HydrophobicContact CD2-CB 4.3Å; C220-P255 HydrophobicContact CB-CG 4.36Å; P251-P255 HydrophobicContact CB-CG 4.08Å; P251-P255 HydrophobicContact CG-CG 3.96Å; V253-P255 VanDerWaalsContact O-CD 3.26Å; V253-P255 WeakPolarHBondContact O-CD 3.37Å; P255-D257 VanDerWaalsContact C-N 3.29Å
256A94Very high95.6Very high55 Ų5553.6 Ų53.646%0.45531%0.313SS..THydrogen-bonded Turntrans-80.1-6.2175.600000113.8K221 C254 L258K221-A256 HydrophobicContact CD-CB 4.1Å; C254-A256 PolarHBondContact O-N 3.41Å; C254-A256 VanDerWaalsContact O-N 3.14Å; A256-L258 PolarHBondContact O-N 3.16Å
257D94.9Very high95.6Very high97 Ų9753.1 Ų53.152%0.51931%0.309SS..  trans-78.370.6175.2-170.722.1000110H195 C254 P255H195-D257 PolarHBondContact CE1-O 3.5Å; H195-D257 VanDerWaalsContact CE1-O 3.27Å; H195-D257 IonicContact CE1-OD2 3.63Å; H195-D257 PolarHBondContact ND1-O 3.35Å; C254-D257 HydrophobicContact CB-CB 4.15Å; C254-D257 VanDerWaalsContact O-CB 3.27Å; C254-D257 WeakPolarHBondContact O-CB 3.35Å; C254-D257 PolarHBondContact O-N 3.15Å; P255-D257 VanDerWaalsContact C-N 3.29Å
258L94Very high95.4Very high49 Ų4953.7 Ų53.726%0.25732%0.318SS..  trans-114.8144.5173.3-72.6172.5000109.7A194 H195 A256 F264A194-L258 HydrophobicContact CB-CD2 3.82Å; H195-L258 HydrophobicContact CB-CD2 4.12Å; A256-L258 PolarHBondContact O-N 3.16Å; L258-F264 HydrophobicContact CD1-CB 3.88Å; L258-F264 HydrophobicContact CD1-CD1 3.73Å; L258-F264 HydrophobicContact CD1-CG 4.13Å
259P92.7Very high95.2Very high59 Ų5954.5 Ų54.538%0.38333%0.327SS..  trans-59.2140.9174.8-18.428.3000111.6N261 V262P259-N261 PolarHBondContact O-N 3.01Å; P259-V262 HydrophobicContact CB-CG2 3.76Å; P259-V262 HydrophobicContact CG-CG2 3.83Å; P259-V262 WeakPolarHBondContact O-CB 3.37Å; P259-V262 PolarHBondContact O-N 3.44Å
260A86.9Confident95.1Very high103 Ų10351.6 Ų51.685%0.85132%0.318SS*.THydrogen-bonded Turntrans-57.6-16.3-166.400000117
261N84.1Confident95.1Very high149 Ų14951.7 Ų51.780%0.79732%0.319SS*.THydrogen-bonded Turntrans-119.916.1-177.7-61.8-41.7000113.1P259P259-N261 PolarHBondContact O-N 3.01Å
262V91.6Very high95.1Very high28 Ų2853.9 Ų53.917%0.1733%0.332CS..  trans-84.4133.8179.1165.60000110.5A194 P259 F264A194-V262 HydrophobicContact CB-CG1 3.73Å; A194-V262 WeakPolarHBondContact O-CG1 3.38Å; P259-V262 HydrophobicContact CB-CG2 3.76Å; P259-V262 HydrophobicContact CG-CG2 3.83Å; P259-V262 WeakPolarHBondContact O-CB 3.37Å; P259-V262 PolarHBondContact O-N 3.44Å; V262-F264 HydrophobicContact CG1-CB 4.47Å
263Q95.9Very high94.9Very high134 Ų13459.7 Ų59.763%0.62636%0.358SS*.  trans-90.8104.4169.2-69.2-169.1-1900109.5T199 C200T199-Q263 WeakPolarHBondContact CA-O 3.18Å; T199-Q263 HydrophobicContact CG2-CB 3.87Å; C200-Q263 PolarHBondContact N-O 3.41Å
264F97.9Very high94.9Very high48 Ų4860.7 Ų60.721%0.21136%0.362CS..EExtended strand (participates in β ladder)trans-114.1130.7171.1177.1-127.3000109.8A190 W191 A194 C200 L217 L258 V262A190-F264 HydrophobicContact CB-CE2 3.75Å; W191-F264 HydrophobicContact CB-CE1 4.41Å; W191-F264 HydrophobicContact CB-CE2 4.47Å; W191-F264 HydrophobicContact CB-CZ 4.06Å; A194-F264 HydrophobicContact CB-CB 3.72Å; A194-F264 HydrophobicContact CB-CD2 3.79Å; A194-F264 HydrophobicContact CB-CG 3.88Å; C200-F264 WeakPolarHBondContact O-CA 3.39Å; L217-F264 HydrophobicContact CD1-CE1 3.87Å; L217-F264 HydrophobicContact CD1-CZ 3.83Å; L217-F264 HydrophobicContact CD2-CE1 3.81Å; L217-F264 HydrophobicContact CD2-CZ 4.12Å; L217-F264 HydrophobicContact CG-CE1 4.33Å; L258-F264 HydrophobicContact CD1-CB 3.88Å; L258-F264 HydrophobicContact CD1-CD1 3.73Å; L258-F264 HydrophobicContact CD1-CG 4.13Å; V262-F264 HydrophobicContact CG1-CB 4.47Å
265S97.5Very high94.9Very high47 Ų4759.8 Ų59.833%0.32935%0.354SS..EExtended strand (participates in β ladder)trans-147.1163.1179.259.60000112.5C200 Q201 G202C200-S265 PolarHBondContact O-N 3.33Å; C200-S265 VanDerWaalsContact O-N 3.09Å; Q201-S265 CarbonylContact C-O 3.59Å; Q201-S265 WeakPolarHBondContact CA-O 3.41Å; Q201-S265 WeakPolarHBondContact CG-OG 3.47Å; Q201-S265 PolarHBondContact NE2-OG 3.18Å; G202-S265 PolarHBondContact N-O 2.85Å
266M97.5Very high95Very high53 Ų5364 Ų6426%0.26138%0.38SS..EExtended strand (participates in β ladder)trans-128.2123.2172.6-80.6-67.7-55.700108.9A184 G202 E204 L210 L217A184-M266 HydrophobicContact CB-CE 3.98Å; A184-M266 HydrophobicContact CB-SD 3.94Å; G202-M266 VanDerWaalsContact CA-SD 3.5Å; G202-M266 CarbonylContact O-C 3.34Å; G202-M266 VanDerWaalsContact O-CA 3.29Å; G202-M266 WeakPolarHBondContact O-CA 3.25Å; E204-M266 HydrophobicContact CB-CE 3.75Å; L210-M266 HydrophobicContact CD2-CE 4.32Å; L217-M266 HydrophobicContact CD1-CG 4Å
267A97Very high95.2Very high19 Ų1967.7 Ų67.716%0.15739%0.387CS..EExtended strand (participates in β ladder)trans-97.3132.6173.700000110.4Q201 G202 N203 E204 Y275Q201-A267 HydrophobicContact CG-CB 4.4Å; G202-A267 PolarHBondContact O-N 3.25Å; N203-A267 WeakPolarHBondContact CA-O 3.17Å; N203-A267 PolarHBondContact ND2-O 3.45Å; E204-A267 PolarHBondContact N-O 3.11Å; A267-Y275 WeakPolarHBondContact CB-OH 3.31Å
268A94.4Very high95.3Very high67 Ų6765.5 Ų65.555%0.55438%0.379SS*.EExtended strand (participates in β ladder)trans-98.8126.5178.700000111E204 L210 I274E204-A268 WeakPolarHBondContact O-CA 3.48Å; L210-A268 HydrophobicContact CD1-CB 3.6Å; L210-A268 HydrophobicContact CD2-CB 4.03Å; L210-A268 HydrophobicContact CG-CB 4.48Å; A268-I274 WeakPolarHBondContact O-CD1 3.24Å
269G94.2Very high95.5Very high21 Ų2166.8 Ų66.822%0.21639%0.386CS..SBendtrans130-174.517400000113.6N203 E204 I274N203-G269 PolarHBondContact ND2-O 2.87Å; E204-G269 PolarHBondContact O-N 3.44Å; G269-I274 VanDerWaalsContact C-CD1 3.41Å
270D96Very high95.8Very high44 Ų4466.1 Ų66.124%0.23538%0.38CS..  trans-69.6137.1-173.5-177.2-89.4000112.3V272 E273 I274D270-V272 PolarHBondContact O-N 3.14Å; D270-V272 WeakPolarHBondContact OD1-CA 3.24Å; D270-V272 WeakPolarHBondContact OD1-CB 3.42Å; D270-V272 PolarHBondContact OD1-N 3.45Å; D270-E273 HydrophobicContact CB-CB 4.15Å; D270-E273 HydrophobicContact CB-CG 4.06Å; D270-E273 PolarHBondContact O-N 3.42Å; D270-E273 PolarHBondContact OD1-N 3.02Å; D270-I274 WeakPolarHBondContact O-CB 3.49Å; D270-I274 VanDerWaalsContact O-CG1 3.26Å; D270-I274 WeakPolarHBondContact O-CG1 3.48Å; D270-I274 PolarHBondContact O-N 2.91Å
271F98.3Very high96.4Very high3 Ų362.4 Ų62.41%0.01334%0.344CS..Hα-helixtrans-61.4-42.2-177.7167.7-113.7000112.7L180 P182 Y275 L284 F289 Y299 T302 I303 I306L180-F271 HydrophobicContact CD2-CE2 3.92Å; P182-F271 HydrophobicContact CB-CD2 3.71Å; P182-F271 HydrophobicContact CB-CE2 4.03Å; P182-F271 HydrophobicContact CB-CG 4.11Å; P182-F271 HydrophobicContact CG-CD2 3.7Å; P182-F271 HydrophobicContact CG-CE2 3.5Å; P182-F271 HydrophobicContact CG-CG 4.48Å; P182-F271 HydrophobicContact CG-CZ 4.11Å; F271-Y275 AromaticContact CD2-CD2 3.48Å; F271-Y275 HydrophobicContact CD2-CD2 3.48Å; F271-Y275 VanDerWaalsContact CD2-CD2 3.48Å; F271-Y275 HydrophobicContact CD2-CE2 4.04Å; F271-Y275 HydrophobicContact CD2-CG 4.37Å; F271-Y275 AromaticContact CE2-CD2 3.91Å; F271-Y275 HydrophobicContact CE2-CD2 3.91Å; F271-Y275 HydrophobicContact CE2-CG 4.4Å; F271-Y275 HydrophobicContact CG-CD2 4.46Å; F271-Y275 VanDerWaalsContact O-CD2 3.29Å; F271-Y275 WeakPolarHBondContact O-CD2 3.25Å; F271-Y275 PolarHBondContact O-N 3.1Å; F271-L284 HydrophobicContact CE2-CD2 4.47Å; F271-L284 HydrophobicContact CZ-CD2 4.22Å; F271-F289 HydrophobicContact CB-CZ 3.89Å; F271-F289 HydrophobicContact CD1-CE1 4.08Å; F271-F289 AromaticContact CD1-CZ 3.89Å; F271-F289 HydrophobicContact CD1-CZ 3.89Å; F271-F289 HydrophobicContact CE1-CE1 4.43Å; F271-F289 HydrophobicContact CG-CE1 4.39Å; F271-F289 AromaticContact CG-CZ 3.91Å; F271-F289 HydrophobicContact CG-CZ 3.91Å; F271-Y299 AromaticContact CD1-CD1 3.9Å; F271-Y299 HydrophobicContact CD1-CD1 3.9Å; F271-Y299 HydrophobicContact CD1-CE1 4.11Å; F271-Y299 HydrophobicContact CD1-CG 4.33Å; F271-Y299 HydrophobicContact CE1-CD1 4.37Å; F271-Y299 HydrophobicContact CE1-CG 4.48Å; F271-T302 HydrophobicContact CD1-CG2 4.21Å; F271-T302 HydrophobicContact CE1-CG2 3.55Å; F271-T302 HydrophobicContact CE2-CG2 4.06Å; F271-T302 HydrophobicContact CZ-CG2 3.46Å; F271-T302 VanDerWaalsContact CZ-CG2 3.46Å; F271-I303 HydrophobicContact CE1-CG1 4.14Å; F271-I303 HydrophobicContact CZ-CG1 3.89Å; F271-I306 HydrophobicContact CE2-CD1 3.98Å; F271-I306 HydrophobicContact CZ-CD1 4.17Å
272V98Very high97.1Very high46 Ų4656.7 Ų56.728%0.27931%0.314SS..Hα-helixtrans-72-37.9-177.5178.20000110.3D270 N298 Y299D270-V272 PolarHBondContact O-N 3.14Å; D270-V272 WeakPolarHBondContact OD1-CA 3.24Å; D270-V272 WeakPolarHBondContact OD1-CB 3.42Å; D270-V272 PolarHBondContact OD1-N 3.45Å; V272-N298 HydrophobicContact CG2-CB 4.42Å; V272-Y299 HydrophobicContact CG2-CD1 3.69Å; V272-Y299 HydrophobicContact CG2-CE1 3.87Å
273E96.3Very high97.4Very high153 Ų15355.3 Ų55.372%0.71531%0.306SS*.Hα-helixtrans-74-40.2-178.8-63.8-178.9177.500113.2D270D270-E273 HydrophobicContact CB-CB 4.15Å; D270-E273 HydrophobicContact CB-CG 4.06Å; D270-E273 PolarHBondContact O-N 3.42Å; D270-E273 PolarHBondContact OD1-N 3.02Å
274I96.9Very high97.6Very high64 Ų6449 Ų4933%0.32828%0.276SS..Hα-helixtrans-73.3-42.4-177.5-69.3171.6000111.5A268 G269 D270 T276A268-I274 WeakPolarHBondContact O-CD1 3.24Å; G269-I274 VanDerWaalsContact C-CD1 3.41Å; D270-I274 WeakPolarHBondContact O-CB 3.49Å; D270-I274 VanDerWaalsContact O-CG1 3.26Å; D270-I274 WeakPolarHBondContact O-CG1 3.48Å; D270-I274 PolarHBondContact O-N 2.91Å; I274-T276 PolarHBondContact O-N 3.06Å
275Y98.5Very high97.6Very high13 Ų1346.7 Ų46.75%0.05127%0.266CS..  trans-100.880.4-168.3-61.8-73.1000111.8L180 Q201 N203 A267 F271 W281 I306L180-Y275 HydrophobicContact CD1-CE1 3.76Å; L180-Y275 HydrophobicContact CD1-CE2 3.94Å; L180-Y275 VanDerWaalsContact CD1-OH 3.29Å; L180-Y275 WeakPolarHBondContact CD1-OH 3.47Å; L180-Y275 HydrophobicContact CD2-CD1 3.82Å; L180-Y275 HydrophobicContact CD2-CD2 3.99Å; L180-Y275 HydrophobicContact CD2-CE1 3.84Å; L180-Y275 HydrophobicContact CD2-CE2 4.02Å; L180-Y275 HydrophobicContact CD2-CG 3.9Å; L180-Y275 HydrophobicContact CG-CE1 4.47Å; Q201-Y275 VanDerWaalsContact OE1-CE1 3.28Å; Q201-Y275 PolarHBondContact OE1-OH 3.37Å; N203-Y275 HydrophobicContact CB-CE2 3.6Å; N203-Y275 WeakPolarHBondContact CB-OH 3.43Å; A267-Y275 WeakPolarHBondContact CB-OH 3.31Å; F271-Y275 AromaticContact CD2-CD2 3.48Å; F271-Y275 HydrophobicContact CD2-CD2 3.48Å; F271-Y275 VanDerWaalsContact CD2-CD2 3.48Å; F271-Y275 HydrophobicContact CD2-CE2 4.04Å; F271-Y275 HydrophobicContact CD2-CG 4.37Å; F271-Y275 AromaticContact CE2-CD2 3.91Å; F271-Y275 HydrophobicContact CE2-CD2 3.91Å; F271-Y275 HydrophobicContact CE2-CG 4.4Å; F271-Y275 HydrophobicContact CG-CD2 4.46Å; F271-Y275 VanDerWaalsContact O-CD2 3.29Å; F271-Y275 WeakPolarHBondContact O-CD2 3.25Å; F271-Y275 PolarHBondContact O-N 3.1Å; Y275-W281 HydrophobicContact CD1-CZ2 4.09Å; Y275-W281 AromaticContact CD1-NE1 3.91Å; Y275-W281 AromaticContact CE1-CZ2 3.7Å; Y275-W281 HydrophobicContact CE1-CZ2 3.7Å; Y275-I306 HydrophobicContact CG-CD1 4.21Å; Y275-I306 WeakPolarHBondContact O-CG2 3.38Å
276T98Very high97.7Very high92 Ų9244.4 Ų44.456%0.56425%0.25SS*.  trans-105.6-16.9-179.354.70000113.9I274 P278I274-T276 PolarHBondContact O-N 3.06Å; T276-P278 VanDerWaalsContact O-CD 3.3Å; T276-P278 WeakPolarHBondContact O-CD 3.3Å
277E98.3Very high97.7Very high132 Ų13242.6 Ų42.662%0.61724%0.242SC*.  trans-74.4116.6-176.9-172.461.6-149.800111.7T280E277-T280 WeakPolarHBondContact CG-OG1 3.48Å; E277-T280 PolarHBondContact O-OG1 2.92Å
278P98.3Very high97.8Very high52 Ų5242.9 Ų42.934%0.33824%0.24SC..THydrogen-bonded Turntrans-68.4149.9-176-17.731.2000113.5T276 T280 L305T276-P278 VanDerWaalsContact O-CD 3.3Å; T276-P278 WeakPolarHBondContact O-CD 3.3Å; P278-T280 VanDerWaalsContact C-N 3.32Å; P278-T280 PolarHBondContact O-N 3.34Å; P278-T280 PolarHBondContact O-OG1 3.46Å; P278-L305 CarbonylContact C-O 3.5Å; P278-L305 VanDerWaalsContact CA-O 3.27Å; P278-L305 WeakPolarHBondContact CA-O 3.49Å; P278-L305 HydrophobicContact CB-CD1 3.88Å; P278-L305 HydrophobicContact CB-CG 4.26Å; P278-L305 HydrophobicContact CG-CD1 3.79Å; P278-L305 HydrophobicContact CG-CG 4.24Å
279N97.9Very high98Very high76 Ų7640.1 Ų40.141%0.40622%0.215SC..THydrogen-bonded Turntrans55.441170.1-48.9-59.8000114.6L305 I306 L307 K308 P309 K382N279-L305 PolarHBondContact N-O 3.13Å; N279-I306 CarbonylContact C-O 3.6Å; N279-L307 PolarHBondContact OD1-O 3.46Å; N279-K308 WeakPolarHBondContact O-CG 3.36Å; N279-P309 WeakPolarHBondContact OD1-CD 3.47Å; N279-K382 PolarHBondContact OD1-NZ 3.49Å
280T98.5Very high98.2Very high44 Ų4439.3 Ų39.327%0.2721%0.206SC..  trans-96.3-38.3-174.4-590000113.1E277 P278 I306 K308E277-T280 WeakPolarHBondContact CG-OG1 3.48Å; E277-T280 PolarHBondContact O-OG1 2.92Å; P278-T280 VanDerWaalsContact C-N 3.32Å; P278-T280 PolarHBondContact O-N 3.34Å; P278-T280 PolarHBondContact O-OG1 3.46Å; T280-I306 PolarHBondContact N-O 3.03Å; T280-K308 WeakPolarHBondContact O-CE 3.49Å
281W98.8Very high98.3Very high25 Ų2537.7 Ų37.710%0.09520%0.197CC..EExtended strand (participates in β ladder)trans-104.5139.9-167.9-58.393.9000112.4N178 L180 Q201 Y275 L284 I306 K308N178-W281 HydrophobicContact CB-CE3 3.75Å; N178-W281 HydrophobicContact CB-CZ3 4.12Å; L180-W281 HydrophobicContact CB-CD2 3.61Å; L180-W281 HydrophobicContact CB-CE3 3.57Å; L180-W281 HydrophobicContact CB-CG 4.15Å; L180-W281 HydrophobicContact CB-CH2 4.21Å; L180-W281 HydrophobicContact CB-CZ2 4.24Å; L180-W281 HydrophobicContact CB-CZ3 3.88Å; L180-W281 HydrophobicContact CD1-CH2 4.31Å; L180-W281 HydrophobicContact CD1-CZ2 4.26Å; L180-W281 HydrophobicContact CD2-CD2 4.36Å; L180-W281 HydrophobicContact CD2-CZ2 4.34Å; Q201-W281 HydrophobicContact CB-CH2 3.73Å; Q201-W281 HydrophobicContact CB-CZ3 4.16Å; Q201-W281 HydrophobicContact CG-CH2 4.46Å; Y275-W281 HydrophobicContact CD1-CZ2 4.09Å; Y275-W281 AromaticContact CD1-NE1 3.91Å; Y275-W281 AromaticContact CE1-CZ2 3.7Å; Y275-W281 HydrophobicContact CE1-CZ2 3.7Å; W281-L284 HydrophobicContact CB-CD1 3.55Å; W281-L284 HydrophobicContact CG-CD1 4.06Å; W281-I306 PolarHBondContact N-O 3.23Å; W281-K308 WeakPolarHBondContact O-CB 3.36Å; W281-K308 PolarHBondContact O-N 3.34Å
282D98.8Very high98.2Very high29 Ų2940 Ų4016%0.15521%0.211CC..EExtended strand (participates in β ladder)trans-81.7-34.1174.9-59.1-77.4000110.8F167 V177 N178 K308 G311 Y312F167-D282 HydrophobicContact CE1-CB 4.12Å; F167-D282 HydrophobicContact CZ-CB 4.05Å; V177-D282 HydrophobicContact CG1-CB 3.89Å; N178-D282 PolarHBondContact N-OD2 3.3Å; N178-D282 PolarHBondContact O-N 3.13Å; D282-K308 WeakPolarHBondContact OD1-CD 3.33Å; D282-K308 IonicContact OD1-NZ 2.86Å; D282-K308 PolarHBondContact OD1-NZ 3.47Å; D282-K308 IonicContact OD2-NZ 2.76Å; D282-K308 PolarHBondContact OD2-NZ 3.37Å; D282-G311 CarbonylContact O-C 3.57Å; D282-G311 VanDerWaalsContact O-CA 3.25Å; D282-G311 WeakPolarHBondContact O-CA 3.47Å; D282-Y312 PolarHBondContact O-N 3.17Å
283C98.9Very high98Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-144140.8178.6-165.60000112.1F167 N178 I179 L180 Y312F167-C283 HydrophobicContact CE2-CB 3.77Å; F167-C283 HydrophobicContact CZ-CB 4.19Å; N178-C283 PolarHBondContact O-N 3.33Å; I179-C283 WeakPolarHBondContact CA-O 3.38Å; I179-C283 HydrophobicContact CG1-CB 4.11Å; I179-C283 HydrophobicContact CG2-CB 4.16Å; L180-C283 PolarHBondContact N-O 3.06Å; C283-Y312 CarbonylContact C-O 3.57Å; C283-Y312 WeakPolarHBondContact CA-O 3.37Å
284L98.9Very high97.9Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-113.6140.3162.6-84.568.9000109.5L180 F271 W281 I303 I306 L307 Y312 W313 I314L180-L284 HydrophobicContact CB-CD1 4.41Å; L180-L284 HydrophobicContact CB-CG 4.14Å; L180-L284 HydrophobicContact CD2-CD2 4.48Å; L180-L284 HydrophobicContact CD2-CG 4.32Å; L180-L284 CarbonylContact O-C 3.57Å; L180-L284 WeakPolarHBondContact O-CA 3.37Å; F271-L284 HydrophobicContact CE2-CD2 4.47Å; F271-L284 HydrophobicContact CZ-CD2 4.22Å; W281-L284 HydrophobicContact CB-CD1 3.55Å; W281-L284 HydrophobicContact CG-CD1 4.06Å; L284-I303 HydrophobicContact CD2-CB 4.12Å; L284-I303 HydrophobicContact CD2-CG1 3.71Å; L284-I303 HydrophobicContact CD2-CG2 4.04Å; L284-I306 HydrophobicContact CD1-CD1 4.44Å; L284-I306 HydrophobicContact CD1-CG1 4.22Å; L284-I306 HydrophobicContact CD2-CD1 3.96Å; L284-I306 HydrophobicContact CD2-CG1 4.17Å; L284-L307 HydrophobicContact CD1-CD2 3.54Å; L284-L307 HydrophobicContact CD1-CG 3.79Å; L284-Y312 PolarHBondContact N-O 3.18Å; L284-W313 WeakPolarHBondContact O-CA 3.47Å; L284-I314 PolarHBondContact O-N 3.47Å
285A98.9Very high97.9Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-125112173.800000110.7V159 L180 V181 P182 L189 I314V159-A285 HydrophobicContact CG1-CB 3.55Å; V159-A285 HydrophobicContact CG2-CB 4.48Å; L180-A285 PolarHBondContact O-N 3.11Å; V181-A285 HydrophobicContact CG2-CB 4.43Å; P182-A285 WeakPolarHBondContact CD-O 3.47Å; L189-A285 HydrophobicContact CD2-CB 4.49Å; A285-I314 CarbonylContact C-O 3.51Å; A285-I314 WeakPolarHBondContact CA-O 3.35Å
286T98.9Very high97.9Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-107.9114.9178.455.40000109.6P182 F289 I290 W313 I314 N315 F316P182-T286 HydrophobicContact CB-CG2 4.46Å; P182-T286 HydrophobicContact CG-CG2 4.14Å; T286-F289 HydrophobicContact CG2-CD1 3.6Å; T286-F289 HydrophobicContact CG2-CE1 4.24Å; T286-F289 HydrophobicContact CG2-CG 4.47Å; T286-I290 HydrophobicContact CG2-CG2 4.25Å; T286-W313 PolarHBondContact OG1-NE1 3.39Å; T286-I314 PolarHBondContact N-O 3.35Å; T286-I314 PolarHBondContact OG1-O 2.97Å; T286-N315 CarbonylContact O-C 3.41Å; T286-N315 WeakPolarHBondContact O-CA 3.38Å; T286-N315 PolarHBondContact O-OD1 3.49Å; T286-N315 PolarHBondContact OG1-OD1 3.05Å; T286-F316 PolarHBondContact O-N 2.89Å
287V98.8Very high97.9Very high14 Ų1432.2 Ų32.29%0.08517%0.169CC..EExtended strand (participates in β ladder)trans-123.1112-179.9-176.60000110.2C155 Y156 V159 L189 F289 F316C155-V287 HydrophobicContact CB-CG1 4.03Å; Y156-V287 HydrophobicContact CD1-CG1 4.07Å; Y156-V287 HydrophobicContact CD1-CG2 4.42Å; Y156-V287 HydrophobicContact CE1-CB 4.23Å; Y156-V287 HydrophobicContact CE1-CG1 3.77Å; V159-V287 HydrophobicContact CG2-CG2 3.76Å; L189-V287 HydrophobicContact CD2-CB 4.25Å; L189-V287 HydrophobicContact CD2-CG2 3.52Å; V287-F289 VanDerWaalsContact C-N 3.34Å; V287-F316 CarbonylContact C-O 3.59Å; V287-F316 VanDerWaalsContact CA-O 3.23Å; V287-F316 WeakPolarHBondContact CA-O 3.45Å; V287-F316 HydrophobicContact CG1-CB 4.4Å; V287-F316 HydrophobicContact CG1-CD1 4.33Å; V287-F316 HydrophobicContact CG2-CB 4.3Å
288F98.5Very high97.9Very high25 Ų2529.4 Ų29.411%0.1116%0.158CC..SBendtrans53.648.2-171.8-77.1-111.7000112.4F316 P318 C359 Y361 Y373F288-F316 HydrophobicContact CD2-CD1 4.36Å; F288-F316 HydrophobicContact CE2-CD1 4.04Å; F288-F316 AromaticContact CE2-CE1 3.95Å; F288-F316 HydrophobicContact CE2-CE1 3.95Å; F288-F316 PolarHBondContact N-O 3.32Å; F288-P318 VanDerWaalsContact CD1-CD 3.41Å; F288-P318 HydrophobicContact CD1-CG 3.79Å; F288-P318 VanDerWaalsContact CE1-CD 3.41Å; F288-P318 HydrophobicContact CE1-CG 3.68Å; F288-P318 HydrophobicContact CZ-CG 4.41Å; F288-C359 HydrophobicContact CZ-CB 4.31Å; F288-Y361 HydrophobicContact CB-CD2 4.39Å; F288-Y361 HydrophobicContact CB-CE2 3.85Å; F288-Y361 AromaticContact CD1-CD2 3.37Å; F288-Y361 HydrophobicContact CD1-CD2 3.37Å; F288-Y361 AromaticContact CD1-CE2 3.68Å; F288-Y361 HydrophobicContact CD1-CE2 3.68Å; F288-Y361 HydrophobicContact CD1-CG 4.2Å; F288-Y361 HydrophobicContact CD2-CD2 4.34Å; F288-Y361 HydrophobicContact CD2-CE2 4.5Å; F288-Y361 AromaticContact CE1-CD2 3.52Å; F288-Y361 HydrophobicContact CE1-CD2 3.52Å; F288-Y361 HydrophobicContact CE1-CE2 4.3Å; F288-Y361 HydrophobicContact CE1-CG 4.11Å; F288-Y361 HydrophobicContact CE2-CD2 4.46Å; F288-Y361 AromaticContact CG-CD2 3.81Å; F288-Y361 HydrophobicContact CG-CD2 3.81Å; F288-Y361 AromaticContact CG-CE2 3.79Å; F288-Y361 HydrophobicContact CG-CE2 3.79Å; F288-Y361 HydrophobicContact CZ-CD2 4.08Å; F288-Y373 AromaticContact CE1-CD2 3.77Å; F288-Y373 HydrophobicContact CE1-CD2 3.77Å; F288-Y373 HydrophobicContact CE1-CE2 4.08Å; F288-Y373 HydrophobicContact CE1-CG 4.16Å; F288-Y373 HydrophobicContact CZ-CD2 4.15Å
289F98.6Very high97.9Very high10 Ų1027.6 Ų27.64%0.04415%0.145CC..  trans-126.6-43.3-172.9171.6-104.7000114.1P182 F271 T286 V287 D291 T292 Y299P182-F289 HydrophobicContact CB-CD1 3.87Å; P182-F289 HydrophobicContact CB-CD2 4.33Å; P182-F289 HydrophobicContact CB-CE1 3.47Å; P182-F289 VanDerWaalsContact CB-CE1 3.47Å; P182-F289 HydrophobicContact CB-CE2 3.96Å; P182-F289 HydrophobicContact CB-CG 4.27Å; P182-F289 HydrophobicContact CB-CZ 3.51Å; P182-F289 HydrophobicContact CG-CE1 4.36Å; F271-F289 HydrophobicContact CB-CZ 3.89Å; F271-F289 HydrophobicContact CD1-CE1 4.08Å; F271-F289 AromaticContact CD1-CZ 3.89Å; F271-F289 HydrophobicContact CD1-CZ 3.89Å; F271-F289 HydrophobicContact CE1-CE1 4.43Å; F271-F289 HydrophobicContact CG-CE1 4.39Å; F271-F289 AromaticContact CG-CZ 3.91Å; F271-F289 HydrophobicContact CG-CZ 3.91Å; T286-F289 HydrophobicContact CG2-CD1 3.6Å; T286-F289 HydrophobicContact CG2-CE1 4.24Å; T286-F289 HydrophobicContact CG2-CG 4.47Å; V287-F289 VanDerWaalsContact C-N 3.34Å; F289-D291 PolarHBondContact O-N 2.86Å; F289-T292 WeakPolarHBondContact O-CB 3.47Å; F289-T292 WeakPolarHBondContact O-CG2 3.39Å; F289-T292 PolarHBondContact O-N 2.94Å; F289-T292 PolarHBondContact O-OG1 3.08Å; F289-Y299 HydrophobicContact CD1-CD2 4.19Å; F289-Y299 HydrophobicContact CD1-CE2 4.03Å; F289-Y299 AromaticContact CE1-CD2 3.57Å; F289-Y299 HydrophobicContact CE1-CD2 3.57Å; F289-Y299 AromaticContact CE1-CE2 3.4Å; F289-Y299 HydrophobicContact CE1-CE2 3.4Å; F289-Y299 HydrophobicContact CE1-CG 4.3Å; F289-Y299 AromaticContact CE2-CE2 3.97Å; F289-Y299 HydrophobicContact CE2-CE2 3.97Å; F289-Y299 AromaticContact CZ-CD2 3.99Å; F289-Y299 HydrophobicContact CZ-CD2 3.99Å; F289-Y299 HydrophobicContact CZ-CE1 4.28Å; F289-Y299 AromaticContact CZ-CE2 3.38Å; F289-Y299 HydrophobicContact CZ-CE2 3.38Å; F289-Y299 AromaticContact CZ-CZ 3.55Å
290I98.3Very high97.9Very high4 Ų424.2 Ų24.22%0.02113%0.127CC..G310 helixtrans-66.6-17.5-16659.9170000114.5T286 T292 I296 W313 N315 L319 L339T286-I290 HydrophobicContact CG2-CG2 4.25Å; I290-T292 VanDerWaalsContact C-N 3.32Å; I290-I296 HydrophobicContact CB-CD1 4.09Å; I290-I296 HydrophobicContact CB-CG1 4.5Å; I290-I296 HydrophobicContact CD1-CD1 4.23Å; I290-I296 HydrophobicContact CG1-CD1 4.27Å; I290-I296 VanDerWaalsContact O-CD1 3.3Å; I290-I296 WeakPolarHBondContact O-CD1 3.25Å; I290-I296 WeakPolarHBondContact O-CG1 3.39Å; I290-W313 HydrophobicContact CG2-CZ2 4.13Å; I290-N315 WeakPolarHBondContact CD1-OD1 3.41Å; I290-N315 WeakPolarHBondContact CG2-OD1 3.44Å; I290-L319 HydrophobicContact CD1-CD2 4.09Å; I290-L319 HydrophobicContact CG1-CD2 4.31Å; I290-L339 HydrophobicContact CD1-CD2 3.79Å
291D97.6Very high97.9Very high10 Ų1026.3 Ų26.35%0.05314%0.136CC..G310 helixtrans-85.41.5175.155-15.7000113.8F289 S293 L320 Y321 H322F289-D291 PolarHBondContact O-N 2.86Å; D291-S293 VanDerWaalsContact C-N 3.33Å; D291-L320 PolarHBondContact OD2-N 3.5Å; D291-Y321 WeakPolarHBondContact O-CA 3.43Å; D291-H322 PolarHBondContact O-N 2.88Å
292T96.5Very high97.9Very high50 Ų5025.7 Ų25.731%0.30714%0.135SC..G310 helixtrans-88.24.9176.471.70000114F289 I290 Y299 F323F289-T292 WeakPolarHBondContact O-CB 3.47Å; F289-T292 WeakPolarHBondContact O-CG2 3.39Å; F289-T292 PolarHBondContact O-N 2.94Å; F289-T292 PolarHBondContact O-OG1 3.08Å; I290-T292 VanDerWaalsContact C-N 3.32Å; T292-Y299 PolarHBondContact OG1-OH 2.95Å; T292-F323 VanDerWaalsContact O-CE2 3.25Å; T292-F323 WeakPolarHBondContact O-CE2 3.27Å
293S93.9Very high97.9Very high9 Ų924.3 Ų24.36%0.06313%0.128CC..  trans-94.5147.7-179.1-167.80000112.4D291 N295D291-S293 VanDerWaalsContact C-N 3.33Å; S293-N295 VanDerWaalsContact C-N 3.32Å; S293-N295 PolarHBondContact OG-N 3.35Å; S293-N295 VanDerWaalsContact OG-N 3.09Å; S293-N295 PolarHBondContact OG-O 3.43Å
294H95Very high97.9Very high79 Ų7927.1 Ų27.137%0.36614%0.138SC..SBendtrans-61.7-43.9161-69-81.7000111F323 E329 D330 S331 L332H294-F323 HydrophobicContact CB-CD2 4.48Å; H294-F323 AromaticContact CD2-CE2 3.61Å; H294-F323 AromaticContact CD2-CZ 3.73Å; H294-F323 AromaticContact CE1-CD1 3.28Å; H294-F323 WeakPolarHBondContact CE1-CD1 3.47Å; H294-F323 AromaticContact CE1-CD2 3.79Å; H294-F323 AromaticContact CE1-CE1 3.33Å; H294-F323 WeakPolarHBondContact CE1-CE1 3.46Å; H294-F323 AromaticContact CE1-CE2 3.8Å; H294-F323 AromaticContact CE1-CG 3.53Å; H294-F323 AromaticContact CE1-CZ 3.59Å; H294-F323 AromaticContact CG-CD2 3.83Å; H294-F323 AromaticContact CG-CE2 3.85Å; H294-F323 AromaticContact ND1-CD1 3.83Å; H294-F323 AromaticContact ND1-CD2 3.65Å; H294-F323 AromaticContact ND1-CE2 3.96Å; H294-F323 AromaticContact ND1-CG 3.57Å; H294-F323 AromaticContact NE2-CD1 3.82Å; H294-F323 AromaticContact NE2-CE1 3.36Å; H294-F323 WeakPolarHBondContact NE2-CE1 3.36Å; H294-F323 AromaticContact NE2-CE2 3.57Å; H294-F323 AromaticContact NE2-CZ 3.22Å; H294-F323 WeakPolarHBondContact NE2-CZ 3.44Å; H294-E329 IonicContact CE1-OE2 3.23Å; H294-E329 PolarHBondContact CE1-OE2 2.98Å; H294-E329 IonicContact ND1-OE2 3.19Å; H294-D330 PolarHBondContact ND1-O 3.44Å; H294-S331 CarbonylContact O-C 3.57Å; H294-S331 WeakPolarHBondContact O-CA 3.42Å; H294-L332 PolarHBondContact O-N 2.94Å
295N96.8Very high97.9Very high51 Ų5130.5 Ų30.527%0.27316%0.156SC..  trans-131.497.6179.3179.44.3000109.8S293 L297 N298 L332S293-N295 VanDerWaalsContact C-N 3.32Å; S293-N295 PolarHBondContact OG-N 3.35Å; S293-N295 VanDerWaalsContact OG-N 3.09Å; S293-N295 PolarHBondContact OG-O 3.43Å; N295-L297 PolarHBondContact O-N 3.42Å; N295-L297 VanDerWaalsContact OD1-CB 3.26Å; N295-L297 WeakPolarHBondContact OD1-CB 3.41Å; N295-L297 PolarHBondContact OD1-N 3.48Å; N295-N298 PolarHBondContact ND2-OD1 3.2Å; N295-N298 WeakPolarHBondContact O-CB 3.13Å; N295-N298 PolarHBondContact O-N 3.47Å; N295-L332 VanDerWaalsContact OD1-CD2 3.3Å; N295-L332 WeakPolarHBondContact OD1-CD2 3.33Å
296I97.5Very high97.9Very high1 Ų130.5 Ų30.51%0.00516%0.156CC..Hα-helixtrans-56.3-22.4179.8-166.6166000113.4I290 N298 Y299 L300 L319 Y321 L334 L339I290-I296 HydrophobicContact CB-CD1 4.09Å; I290-I296 HydrophobicContact CB-CG1 4.5Å; I290-I296 HydrophobicContact CD1-CD1 4.23Å; I290-I296 HydrophobicContact CG1-CD1 4.27Å; I290-I296 VanDerWaalsContact O-CD1 3.3Å; I290-I296 WeakPolarHBondContact O-CD1 3.25Å; I290-I296 WeakPolarHBondContact O-CG1 3.39Å; I296-N298 VanDerWaalsContact C-N 3.3Å; I296-N298 PolarHBondContact O-N 2.91Å; I296-Y299 WeakPolarHBondContact O-CB 3.29Å; I296-Y299 PolarHBondContact O-N 3Å; I296-L300 PolarHBondContact O-N 3.42Å; I296-L300 VanDerWaalsContact O-N 3.11Å; I296-L319 HydrophobicContact CD1-CD2 4.4Å; I296-Y321 HydrophobicContact CB-CE1 4.43Å; I296-Y321 HydrophobicContact CD1-CE1 4.2Å; I296-L334 HydrophobicContact CG2-CD1 3.76Å; I296-L334 HydrophobicContact CG2-CG 4.14Å; I296-L339 HydrophobicContact CD1-CD1 3.82Å; I296-L339 HydrophobicContact CD1-CD2 3.83Å; I296-L339 HydrophobicContact CD1-CG 4.45Å; I296-L339 HydrophobicContact CG1-CD1 4.18Å
297L98.2Very high97.9Very high65 Ų6530.5 Ų30.534%0.3416%0.156SC..Hα-helixtrans-67.1-32175.6-56.3-179.8000112N295 Y299 L300 D301 L332 L334 A342N295-L297 PolarHBondContact O-N 3.42Å; N295-L297 VanDerWaalsContact OD1-CB 3.26Å; N295-L297 WeakPolarHBondContact OD1-CB 3.41Å; N295-L297 PolarHBondContact OD1-N 3.48Å; L297-Y299 VanDerWaalsContact C-N 3.28Å; L297-Y299 PolarHBondContact O-N 3.26Å; L297-L300 HydrophobicContact CD2-CD1 3.99Å; L297-L300 WeakPolarHBondContact O-CB 3.46Å; L297-L300 PolarHBondContact O-N 2.94Å; L297-L300 VanDerWaalsContact O-N 3.14Å; L297-D301 PolarHBondContact O-N 3.36Å; L297-L332 HydrophobicContact CD1-CD2 3.93Å; L297-L332 HydrophobicContact CG-CD2 3.89Å; L297-L334 HydrophobicContact CD2-CD1 4.11Å; L297-A342 HydrophobicContact CD2-CB 4.09Å
298N97.7Very high97.8Very high74 Ų7432.5 Ų32.540%0.39616%0.164SC..Hα-helixtrans-62.3-39.8173.2-67.9-4.8000110.7V272 N295 I296 D301 T302V272-N298 HydrophobicContact CG2-CB 4.42Å; N295-N298 PolarHBondContact ND2-OD1 3.2Å; N295-N298 WeakPolarHBondContact O-CB 3.13Å; N295-N298 PolarHBondContact O-N 3.47Å; I296-N298 VanDerWaalsContact C-N 3.3Å; I296-N298 PolarHBondContact O-N 2.91Å; N298-D301 PolarHBondContact O-N 2.82Å; N298-T302 PolarHBondContact O-N 3.2Å; N298-T302 PolarHBondContact O-OG1 2.7Å
299Y98.4Very high97.8Very high14 Ų1433.8 Ų33.86%0.05518%0.175CC..Hα-helixtrans-63.5-42.3174-74.95.9000111.3F271 V272 F289 T292 I296 L297 D301 T302 I303F271-Y299 AromaticContact CD1-CD1 3.9Å; F271-Y299 HydrophobicContact CD1-CD1 3.9Å; F271-Y299 HydrophobicContact CD1-CE1 4.11Å; F271-Y299 HydrophobicContact CD1-CG 4.33Å; F271-Y299 HydrophobicContact CE1-CD1 4.37Å; F271-Y299 HydrophobicContact CE1-CG 4.48Å; V272-Y299 HydrophobicContact CG2-CD1 3.69Å; V272-Y299 HydrophobicContact CG2-CE1 3.87Å; F289-Y299 HydrophobicContact CD1-CD2 4.19Å; F289-Y299 HydrophobicContact CD1-CE2 4.03Å; F289-Y299 AromaticContact CE1-CD2 3.57Å; F289-Y299 HydrophobicContact CE1-CD2 3.57Å; F289-Y299 AromaticContact CE1-CE2 3.4Å; F289-Y299 HydrophobicContact CE1-CE2 3.4Å; F289-Y299 HydrophobicContact CE1-CG 4.3Å; F289-Y299 AromaticContact CE2-CE2 3.97Å; F289-Y299 HydrophobicContact CE2-CE2 3.97Å; F289-Y299 AromaticContact CZ-CD2 3.99Å; F289-Y299 HydrophobicContact CZ-CD2 3.99Å; F289-Y299 HydrophobicContact CZ-CE1 4.28Å; F289-Y299 AromaticContact CZ-CE2 3.38Å; F289-Y299 HydrophobicContact CZ-CE2 3.38Å; F289-Y299 AromaticContact CZ-CZ 3.55Å; T292-Y299 PolarHBondContact OG1-OH 2.95Å; I296-Y299 WeakPolarHBondContact O-CB 3.29Å; I296-Y299 PolarHBondContact O-N 3Å; L297-Y299 VanDerWaalsContact C-N 3.28Å; L297-Y299 PolarHBondContact O-N 3.26Å; Y299-D301 VanDerWaalsContact C-N 3.35Å; Y299-D301 PolarHBondContact O-N 3.49Å; Y299-T302 PolarHBondContact O-N 2.93Å; Y299-I303 WeakPolarHBondContact O-CB 3.43Å; Y299-I303 WeakPolarHBondContact O-CD1 3.28Å; Y299-I303 WeakPolarHBondContact O-CG1 3.46Å; Y299-I303 PolarHBondContact O-N 3.22Å
300L98.6Very high97.8Very high5 Ų533.9 Ų33.93%0.02618%0.178CC..Hα-helixtrans-61.2-43.1176.2-62.8-173.8000112.2I296 L297 I303 W304 W313 L339 A342 I343 L346I296-L300 PolarHBondContact O-N 3.42Å; I296-L300 VanDerWaalsContact O-N 3.11Å; L297-L300 HydrophobicContact CD2-CD1 3.99Å; L297-L300 WeakPolarHBondContact O-CB 3.46Å; L297-L300 PolarHBondContact O-N 2.94Å; L297-L300 VanDerWaalsContact O-N 3.14Å; L300-I303 PolarHBondContact O-N 3.36Å; L300-W304 WeakPolarHBondContact O-CB 3.43Å; L300-W304 PolarHBondContact O-N 3.42Å; L300-W313 HydrophobicContact CD2-CH2 3.48Å; L300-W313 VanDerWaalsContact CD2-CH2 3.48Å; L300-W313 HydrophobicContact CD2-CZ2 4.48Å; L300-W313 HydrophobicContact CD2-CZ3 3.71Å; L300-L339 HydrophobicContact CD1-CD1 3.96Å; L300-L339 HydrophobicContact CD2-CD1 4.31Å; L300-L339 HydrophobicContact CG-CD1 4.44Å; L300-A342 HydrophobicContact CD1-CB 4.02Å; L300-I343 HydrophobicContact CD1-CG1 4.16Å; L300-I343 HydrophobicContact CD2-CG1 3.94Å; L300-L346 HydrophobicContact CB-CD2 3.82Å; L300-L346 WeakPolarHBondContact O-CD2 3.38Å
301D98.3Very high97.8Very high88 Ų8833.9 Ų33.947%0.47118%0.179SC..Hα-helixtrans-62.9-46.8177.9-76.8-20.6000111.3L297 N298 Y299 W304 L305L297-D301 PolarHBondContact O-N 3.36Å; N298-D301 PolarHBondContact O-N 2.82Å; Y299-D301 VanDerWaalsContact C-N 3.35Å; Y299-D301 PolarHBondContact O-N 3.49Å; D301-W304 PolarHBondContact O-N 2.95Å; D301-L305 VanDerWaalsContact O-CB 3.3Å; D301-L305 WeakPolarHBondContact O-CB 3.43Å; D301-L305 PolarHBondContact O-N 3.04Å
302T98.7Very high97.9Very high11 Ų1135.4 Ų35.47%0.06718%0.184CC..Hα-helixtrans-61.6-48.1175.7-60.30000111.4F271 N298 Y299 W304 L305 I306F271-T302 HydrophobicContact CD1-CG2 4.21Å; F271-T302 HydrophobicContact CE1-CG2 3.55Å; F271-T302 HydrophobicContact CE2-CG2 4.06Å; F271-T302 HydrophobicContact CZ-CG2 3.46Å; F271-T302 VanDerWaalsContact CZ-CG2 3.46Å; N298-T302 PolarHBondContact O-N 3.2Å; N298-T302 PolarHBondContact O-OG1 2.7Å; Y299-T302 PolarHBondContact O-N 2.93Å; T302-W304 VanDerWaalsContact C-N 3.3Å; T302-W304 PolarHBondContact O-N 3.33Å; T302-L305 WeakPolarHBondContact O-CB 3.4Å; T302-L305 PolarHBondContact O-N 3.18Å; T302-I306 HydrophobicContact CG2-CD1 4.25Å; T302-I306 HydrophobicContact CG2-CG2 4.35Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 WeakPolarHBondContact O-CG2 3.32Å; T302-I306 PolarHBondContact O-N 3.09Å
303I98.8Very high98Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-57.7-44.5178.1-69.6164.7000110.6F271 L284 Y299 L300 L307 W313 F348F271-I303 HydrophobicContact CE1-CG1 4.14Å; F271-I303 HydrophobicContact CZ-CG1 3.89Å; L284-I303 HydrophobicContact CD2-CB 4.12Å; L284-I303 HydrophobicContact CD2-CG1 3.71Å; L284-I303 HydrophobicContact CD2-CG2 4.04Å; Y299-I303 WeakPolarHBondContact O-CB 3.43Å; Y299-I303 WeakPolarHBondContact O-CD1 3.28Å; Y299-I303 WeakPolarHBondContact O-CG1 3.46Å; Y299-I303 PolarHBondContact O-N 3.22Å; L300-I303 PolarHBondContact O-N 3.36Å; I303-L307 HydrophobicContact CG2-CD1 3.98Å; I303-L307 WeakPolarHBondContact O-CB 3.43Å; I303-L307 WeakPolarHBondContact O-CG 3.22Å; I303-L307 PolarHBondContact O-N 3.32Å; I303-W313 HydrophobicContact CD1-CD2 4.27Å; I303-W313 HydrophobicContact CD1-CH2 4.46Å; I303-W313 HydrophobicContact CD1-CZ2 3.98Å; I303-W313 HydrophobicContact CG2-CB 4.08Å; I303-W313 HydrophobicContact CG2-CD2 3.91Å; I303-W313 HydrophobicContact CG2-CE3 4.08Å; I303-W313 HydrophobicContact CG2-CG 3.9Å; I303-F348 HydrophobicContact CG2-CE2 4.49Å; I303-F348 HydrophobicContact CG2-CZ 3.9Å
304W98.6Very high98.3Very high60 Ų6032.6 Ų32.623%0.22717%0.167CC..Hα-helixtrans-63.9-45.1176.4174.7-92.4000112.4L300 D301 T302 L346 F348 K382 T386L300-W304 WeakPolarHBondContact O-CB 3.43Å; L300-W304 PolarHBondContact O-N 3.42Å; D301-W304 PolarHBondContact O-N 2.95Å; T302-W304 VanDerWaalsContact C-N 3.3Å; T302-W304 PolarHBondContact O-N 3.33Å; W304-L346 HydrophobicContact CB-CD2 3.78Å; W304-L346 HydrophobicContact CB-CG 4.17Å; W304-L346 HydrophobicContact CD2-CG 4.08Å; W304-L346 HydrophobicContact CE3-CG 4.08Å; W304-L346 HydrophobicContact CG-CD1 4.34Å; W304-L346 HydrophobicContact CG-CD2 4.29Å; W304-L346 HydrophobicContact CG-CG 4.14Å; W304-L346 WeakPolarHBondContact CH2-O 3.27Å; W304-L346 WeakPolarHBondContact CZ3-O 3.34Å; W304-F348 HydrophobicContact CB-CE2 4.17Å; W304-F348 HydrophobicContact CB-CZ 4.28Å; W304-F348 HydrophobicContact CE3-CD2 4.05Å; W304-F348 HydrophobicContact CE3-CE1 4.32Å; W304-F348 AromaticContact CE3-CE2 3.74Å; W304-F348 HydrophobicContact CE3-CE2 3.74Å; W304-F348 HydrophobicContact CE3-CG 4.46Å; W304-F348 AromaticContact CE3-CZ 3.86Å; W304-F348 HydrophobicContact CE3-CZ 3.86Å; W304-K382 HydrophobicContact CD2-CD 4.47Å; W304-K382 HydrophobicContact CE3-CD 4.41Å; W304-K382 HydrophobicContact CE3-CG 4.16Å; W304-K382 HydrophobicContact CH2-CG 4.19Å; W304-K382 HydrophobicContact CZ3-CG 3.93Å; W304-K382 WeakPolarHBondContact O-CE 3.46Å; W304-K382 PolarHBondContact O-NZ 2.7Å; W304-T386 HydrophobicContact CH2-CG2 4.35Å; W304-T386 HydrophobicContact CZ2-CG2 3.87Å
305L98.5Very high98.4Very high70 Ų7029 Ų2937%0.36615%0.15SC..Hα-helixtrans-58.6-52.6-178.9-178.466.5000111P278 N279 D301 T302P278-L305 CarbonylContact C-O 3.5Å; P278-L305 VanDerWaalsContact CA-O 3.27Å; P278-L305 WeakPolarHBondContact CA-O 3.49Å; P278-L305 HydrophobicContact CB-CD1 3.88Å; P278-L305 HydrophobicContact CB-CG 4.26Å; P278-L305 HydrophobicContact CG-CD1 3.79Å; P278-L305 HydrophobicContact CG-CG 4.24Å; N279-L305 PolarHBondContact N-O 3.13Å; D301-L305 VanDerWaalsContact O-CB 3.3Å; D301-L305 WeakPolarHBondContact O-CB 3.43Å; D301-L305 PolarHBondContact O-N 3.04Å; T302-L305 WeakPolarHBondContact O-CB 3.4Å; T302-L305 PolarHBondContact O-N 3.18Å
306I98.8Very high98.5Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-85.6-15.3-167.975.6-178000113.8L180 F271 Y275 N279 T280 W281 L284 T302L180-I306 HydrophobicContact CD2-CD1 3.71Å; F271-I306 HydrophobicContact CE2-CD1 3.98Å; F271-I306 HydrophobicContact CZ-CD1 4.17Å; Y275-I306 HydrophobicContact CG-CD1 4.21Å; Y275-I306 WeakPolarHBondContact O-CG2 3.38Å; N279-I306 CarbonylContact C-O 3.6Å; T280-I306 PolarHBondContact N-O 3.03Å; W281-I306 PolarHBondContact N-O 3.23Å; L284-I306 HydrophobicContact CD1-CD1 4.44Å; L284-I306 HydrophobicContact CD1-CG1 4.22Å; L284-I306 HydrophobicContact CD2-CD1 3.96Å; L284-I306 HydrophobicContact CD2-CG1 4.17Å; T302-I306 HydrophobicContact CG2-CD1 4.25Å; T302-I306 HydrophobicContact CG2-CG2 4.35Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 WeakPolarHBondContact O-CG2 3.32Å; T302-I306 PolarHBondContact O-N 3.09Å
307L98.8Very high98.6Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-70.5135171.5-87.3175.2000111.9N279 L284 I303 Y312 W313 F348 K382N279-L307 PolarHBondContact OD1-O 3.46Å; L284-L307 HydrophobicContact CD1-CD2 3.54Å; L284-L307 HydrophobicContact CD1-CG 3.79Å; I303-L307 HydrophobicContact CG2-CD1 3.98Å; I303-L307 WeakPolarHBondContact O-CB 3.43Å; I303-L307 WeakPolarHBondContact O-CG 3.22Å; I303-L307 PolarHBondContact O-N 3.32Å; L307-Y312 WeakPolarHBondContact CD2-O 3.42Å; L307-W313 HydrophobicContact CD1-CB 3.98Å; L307-F348 HydrophobicContact CD1-CE1 3.76Å; L307-F348 HydrophobicContact CD1-CZ 4.02Å; L307-K382 HydrophobicContact CB-CB 4.44Å; L307-K382 HydrophobicContact CB-CD 3.91Å; L307-K382 WeakPolarHBondContact O-CD 3.43Å; L307-K382 PolarHBondContact O-NZ 3.48Å
308K98.6Very high98.6Very high57 Ų5724.1 Ų24.125%0.24813%0.126CC..EExtended strand (participates in β ladder)trans-59.9148.8167-73.7165.4175.6167.80110.7N279 T280 W281 D282 G310 G311N279-K308 WeakPolarHBondContact O-CG 3.36Å; T280-K308 WeakPolarHBondContact O-CE 3.49Å; W281-K308 WeakPolarHBondContact O-CB 3.36Å; W281-K308 PolarHBondContact O-N 3.34Å; D282-K308 WeakPolarHBondContact OD1-CD 3.33Å; D282-K308 IonicContact OD1-NZ 2.86Å; D282-K308 PolarHBondContact OD1-NZ 3.47Å; D282-K308 IonicContact OD2-NZ 2.76Å; D282-K308 PolarHBondContact OD2-NZ 3.37Å; K308-G310 PolarHBondContact O-N 3.27Å; K308-G311 WeakPolarHBondContact O-CA 3.37Å; K308-G311 PolarHBondContact O-N 2.97Å
309P98.4Very high98.6Very high52 Ų5222.7 Ų22.734%0.33812%0.118SC..EExtended strand (participates in β ladder)trans-55.1128.9165.2-22.334.1000110.2N279 G311 L384N279-P309 WeakPolarHBondContact OD1-CD 3.47Å; P309-G311 VanDerWaalsContact C-N 3.3Å; P309-L384 WeakPolarHBondContact CB-O 3.35Å
310G98.3Very high98.5Very high12 Ų1227.2 Ų27.212%0.12414%0.142CC..EExtended strand (participates in β ladder)trans84.4-7.2-172.100000115.6K308 Y312 R381 K382 P383K308-G310 PolarHBondContact O-N 3.27Å; G310-Y312 WeakPolarHBondContact O-CE2 3.45Å; G310-R381 PolarHBondContact O-NE 3.07Å; G310-K382 WeakPolarHBondContact CA-O 3.46Å; G310-K382 PolarHBondContact N-O 3.41Å; G310-P383 PolarHBondContact N-O 3.26Å
311G98.6Very high98.5Very high4 Ų428 Ų284%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-72.6166178.100000113.5D282 K308 P309 R381 K382D282-G311 CarbonylContact O-C 3.57Å; D282-G311 VanDerWaalsContact O-CA 3.25Å; D282-G311 WeakPolarHBondContact O-CA 3.47Å; K308-G311 WeakPolarHBondContact O-CA 3.37Å; K308-G311 PolarHBondContact O-N 2.97Å; P309-G311 VanDerWaalsContact C-N 3.3Å; G311-R381 WeakPolarHBondContact O-CA 3.42Å; G311-K382 PolarHBondContact O-N 2.97Å
312Y98.9Very high98.2Very high41 Ų4129 Ų2916%0.16115%0.147CC..EExtended strand (participates in β ladder)trans-119145.8-169.2-63.9-87000113.2L166 F167 D282 C283 L284 L307 G310 V351 L379 F380 R381L166-Y312 HydrophobicContact CD1-CD1 3.91Å; L166-Y312 HydrophobicContact CD1-CD2 3.95Å; L166-Y312 HydrophobicContact CD1-CE1 4.3Å; L166-Y312 HydrophobicContact CD1-CE2 4.34Å; L166-Y312 HydrophobicContact CD1-CG 3.72Å; L166-Y312 HydrophobicContact CD2-CD1 4.23Å; L166-Y312 HydrophobicContact CD2-CD2 4.43Å; L166-Y312 HydrophobicContact CD2-CE1 3.76Å; L166-Y312 HydrophobicContact CD2-CE2 3.99Å; F167-Y312 HydrophobicContact CE2-CD2 4.35Å; F167-Y312 AromaticContact CZ-CD2 3.85Å; F167-Y312 HydrophobicContact CZ-CD2 3.85Å; F167-Y312 HydrophobicContact CZ-CE2 4.41Å; D282-Y312 PolarHBondContact O-N 3.17Å; C283-Y312 CarbonylContact C-O 3.57Å; C283-Y312 WeakPolarHBondContact CA-O 3.37Å; L284-Y312 PolarHBondContact N-O 3.18Å; L307-Y312 WeakPolarHBondContact CD2-O 3.42Å; G310-Y312 WeakPolarHBondContact O-CE2 3.45Å; Y312-V351 HydrophobicContact CE1-CG2 4.3Å; Y312-L379 HydrophobicContact CD1-CD1 3.98Å; Y312-L379 HydrophobicContact CG-CD1 4.41Å; Y312-F380 CarbonylContact C-O 3.33Å; Y312-F380 VanDerWaalsContact CA-O 3.29Å; Y312-F380 WeakPolarHBondContact CA-O 3.3Å; Y312-R381 HydrophobicContact CD1-CB 3.84Å; Y312-R381 HydrophobicContact CD1-CG 3.91Å; Y312-R381 HydrophobicContact CE1-CB 3.78Å; Y312-R381 HydrophobicContact CE1-CG 3.6Å
313W98.9Very high97.9Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-121121.9168.5168.436.1000109.1L284 T286 I290 L300 I303 L307 N315 I343 F348 F380L284-W313 WeakPolarHBondContact O-CA 3.47Å; T286-W313 PolarHBondContact OG1-NE1 3.39Å; I290-W313 HydrophobicContact CG2-CZ2 4.13Å; L300-W313 HydrophobicContact CD2-CH2 3.48Å; L300-W313 VanDerWaalsContact CD2-CH2 3.48Å; L300-W313 HydrophobicContact CD2-CZ2 4.48Å; L300-W313 HydrophobicContact CD2-CZ3 3.71Å; I303-W313 HydrophobicContact CD1-CD2 4.27Å; I303-W313 HydrophobicContact CD1-CH2 4.46Å; I303-W313 HydrophobicContact CD1-CZ2 3.98Å; I303-W313 HydrophobicContact CG2-CB 4.08Å; I303-W313 HydrophobicContact CG2-CD2 3.91Å; I303-W313 HydrophobicContact CG2-CE3 4.08Å; I303-W313 HydrophobicContact CG2-CG 3.9Å; L307-W313 HydrophobicContact CD1-CB 3.98Å; W313-N315 HydrophobicContact CZ2-CB 3.86Å; W313-I343 HydrophobicContact CH2-CD1 3.7Å; W313-I343 HydrophobicContact CH2-CG1 4.14Å; W313-I343 HydrophobicContact CZ3-CD1 3.72Å; W313-I343 HydrophobicContact CZ3-CG1 3.85Å; W313-I343 HydrophobicContact CZ3-CG2 4.27Å; W313-F348 HydrophobicContact CE3-CE2 4.32Å; W313-F348 HydrophobicContact CE3-CZ 4.37Å; W313-F380 HydrophobicContact CB-CB 4.44Å; W313-F380 AromaticContact CD2-CD2 3.81Å; W313-F380 HydrophobicContact CD2-CD2 3.81Å; W313-F380 HydrophobicContact CD2-CE2 4.46Å; W313-F380 HydrophobicContact CE3-CB 4.23Å; W313-F380 AromaticContact CE3-CD2 3.5Å; W313-F380 HydrophobicContact CE3-CD2 3.5Å; W313-F380 VanDerWaalsContact CE3-CD2 3.5Å; W313-F380 HydrophobicContact CE3-CE2 4.18Å; W313-F380 HydrophobicContact CE3-CG 4.1Å; W313-F380 HydrophobicContact CG-CD2 4.35Å; W313-F380 HydrophobicContact CH2-CD2 4.45Å; W313-F380 HydrophobicContact CH2-CE2 4.34Å; W313-F380 AromaticContact CZ3-CD2 3.86Å; W313-F380 HydrophobicContact CZ3-CD2 3.86Å; W313-F380 HydrophobicContact CZ3-CE2 4.12Å; W313-F380 PolarHBondContact N-O 3.24Å; W313-F380 PolarHBondContact O-N 3.25Å
314I98.9Very high97.6Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-105123.7173.7-55.4163.5000107.7V159 D162 V163 L284 A285 T286 Y377 G378 L379V159-I314 HydrophobicContact CB-CG2 4.5Å; V159-I314 HydrophobicContact CG1-CD1 4.19Å; V159-I314 HydrophobicContact CG2-CG2 3.92Å; D162-I314 HydrophobicContact CB-CD1 3.76Å; D162-I314 HydrophobicContact CB-CG1 4.44Å; V163-I314 HydrophobicContact CG2-CD1 3.86Å; L284-I314 PolarHBondContact O-N 3.47Å; A285-I314 CarbonylContact C-O 3.51Å; A285-I314 WeakPolarHBondContact CA-O 3.35Å; T286-I314 PolarHBondContact N-O 3.35Å; T286-I314 PolarHBondContact OG1-O 2.97Å; I314-Y377 HydrophobicContact CG2-CD2 4.49Å; I314-Y377 HydrophobicContact CG2-CE2 4.03Å; I314-G378 WeakPolarHBondContact CA-O 3.32Å; I314-L379 HydrophobicContact CD1-CD1 4.39Å; I314-L379 HydrophobicContact CG1-CD1 3.55Å
315N98.9Very high97.1Very high4 Ų437.3 Ų37.32%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-118.3138.1174-179.670.1000111T286 I290 W313 Y377 G378 F380T286-N315 CarbonylContact O-C 3.41Å; T286-N315 WeakPolarHBondContact O-CA 3.38Å; T286-N315 PolarHBondContact O-OD1 3.49Å; T286-N315 PolarHBondContact OG1-OD1 3.05Å; I290-N315 WeakPolarHBondContact CD1-OD1 3.41Å; I290-N315 WeakPolarHBondContact CG2-OD1 3.44Å; W313-N315 HydrophobicContact CZ2-CB 3.86Å; N315-Y377 CarbonylContact O-C 3.5Å; N315-Y377 VanDerWaalsContact O-CA 3.26Å; N315-Y377 WeakPolarHBondContact O-CA 3.48Å; N315-G378 PolarHBondContact N-O 3.07Å; N315-G378 PolarHBondContact O-N 3.29Å; N315-F380 HydrophobicContact CB-CE2 4.32Å
316F98.8Very high96.7Very high0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-140122.8169.3-173.6-72.5000109.9I154 C155 F158 T286 V287 F288 I357 C359 C375 V376 Y377I154-F316 HydrophobicContact CG2-CZ 4.05Å; I154-F316 WeakPolarHBondContact O-CE2 3.29Å; I154-F316 WeakPolarHBondContact O-CZ 3.1Å; C155-F316 HydrophobicContact CB-CD1 3.51Å; C155-F316 HydrophobicContact CB-CD2 4.44Å; C155-F316 HydrophobicContact CB-CE1 3.39Å; C155-F316 HydrophobicContact CB-CE2 4.32Å; C155-F316 HydrophobicContact CB-CG 4.08Å; C155-F316 HydrophobicContact CB-CZ 3.83Å; F158-F316 HydrophobicContact CB-CD2 4.38Å; F158-F316 HydrophobicContact CD2-CD2 4.1Å; F158-F316 AromaticContact CD2-CE2 3.78Å; F158-F316 HydrophobicContact CD2-CE2 3.78Å; F158-F316 HydrophobicContact CE2-CE2 4Å; F158-F316 HydrophobicContact CG-CD2 4.26Å; F158-F316 HydrophobicContact CG-CE2 4.36Å; T286-F316 PolarHBondContact O-N 2.89Å; V287-F316 CarbonylContact C-O 3.59Å; V287-F316 VanDerWaalsContact CA-O 3.23Å; V287-F316 WeakPolarHBondContact CA-O 3.45Å; V287-F316 HydrophobicContact CG1-CB 4.4Å; V287-F316 HydrophobicContact CG1-CD1 4.33Å; V287-F316 HydrophobicContact CG2-CB 4.3Å; F288-F316 HydrophobicContact CD2-CD1 4.36Å; F288-F316 HydrophobicContact CE2-CD1 4.04Å; F288-F316 AromaticContact CE2-CE1 3.95Å; F288-F316 HydrophobicContact CE2-CE1 3.95Å; F288-F316 PolarHBondContact N-O 3.32Å; F316-I357 HydrophobicContact CE2-CB 4.47Å; F316-I357 HydrophobicContact CE2-CD1 3.87Å; F316-I357 HydrophobicContact CE2-CG2 4Å; F316-I357 HydrophobicContact CZ-CB 4.35Å; F316-I357 HydrophobicContact CZ-CG2 3.82Å; F316-C359 HydrophobicContact CE1-CB 4.14Å; F316-C359 HydrophobicContact CZ-CB 4.31Å; F316-C375 HydrophobicContact CD1-CB 4.3Å; F316-C375 HydrophobicContact CE1-CB 3.72Å; F316-C375 HydrophobicContact CZ-CB 3.98Å; F316-V376 WeakPolarHBondContact CA-O 3.39Å; F316-Y377 HydrophobicContact CD2-CD2 4.44Å
317G98.6Very high96.3Very high1 Ų143.2 Ų43.21%0.0124%0.237CC..EExtended strand (participates in β ladder)trans165178.4172.700000114.8C375 V376G317-C375 WeakPolarHBondContact O-CA 3.47Å; G317-V376 PolarHBondContact N-O 2.83Å; G317-V376 VanDerWaalsContact O-CG2 3.29Å; G317-V376 WeakPolarHBondContact O-CG2 3.04Å; G317-V376 PolarHBondContact O-N 3.21Å
318P98.2Very high96Very high13 Ų1347.4 Ų47.48%0.08428%0.279CS..  trans-80.2-170.6167.835.5-32.9000111.6F288 Y373F288-P318 VanDerWaalsContact CD1-CD 3.41Å; F288-P318 HydrophobicContact CD1-CG 3.79Å; F288-P318 VanDerWaalsContact CE1-CD 3.41Å; F288-P318 HydrophobicContact CE1-CG 3.68Å; F288-P318 HydrophobicContact CZ-CG 4.41Å; P318-Y373 HydrophobicContact CB-CD1 3.61Å; P318-Y373 HydrophobicContact CB-CE1 4.39Å; P318-Y373 HydrophobicContact CB-CG 4.08Å; P318-Y373 HydrophobicContact CG-CD1 3.71Å; P318-Y373 HydrophobicContact CG-CE1 4.17Å; P318-Y373 HydrophobicContact CG-CG 4.04Å
319L97.9Very high95.8Very high45 Ų4549.1 Ų49.124%0.23629%0.288CS..  trans-125.561.2167.3-66.4175.6000109.6I290 I296 Y321 Y336 L339I290-L319 HydrophobicContact CD1-CD2 4.09Å; I290-L319 HydrophobicContact CG1-CD2 4.31Å; I296-L319 HydrophobicContact CD1-CD2 4.4Å; L319-Y321 HydrophobicContact CB-CE2 3.93Å; L319-Y321 PolarHBondContact O-N 3.43Å; L319-Y336 HydrophobicContact CD1-CD2 4.41Å; L319-L339 HydrophobicContact CD1-CD2 4.42Å; L319-L339 HydrophobicContact CD2-CD2 3.93Å
320L97.2Very high95.6Very high108 Ų10853.3 Ų53.357%0.56531%0.308SS*.  trans-90.781174.3-179.662.6000108.8D291 H322 Y373D291-L320 PolarHBondContact OD2-N 3.5Å; L320-H322 PolarHBondContact O-N 3.1Å; L320-H322 VanDerWaalsContact O-N 3.12Å; L320-Y373 HydrophobicContact CD2-CE1 4.01Å
321Y97.3Very high95.5Very high21 Ų2154 Ų548%0.08231%0.311CS..  trans-56115.2-174.9-71.9-77000112.3D291 I296 L319 F323 S324 L332 E333 L334D291-Y321 WeakPolarHBondContact O-CA 3.43Å; I296-Y321 HydrophobicContact CB-CE1 4.43Å; I296-Y321 HydrophobicContact CD1-CE1 4.2Å; L319-Y321 HydrophobicContact CB-CE2 3.93Å; L319-Y321 PolarHBondContact O-N 3.43Å; Y321-F323 VanDerWaalsContact C-N 3.26Å; Y321-F323 PolarHBondContact O-N 3.2Å; Y321-S324 PolarHBondContact O-N 3.21Å; Y321-L332 WeakPolarHBondContact CE1-O 3.47Å; Y321-E333 HydrophobicContact CD2-CB 3.58Å; Y321-E333 HydrophobicContact CD2-CG 3.72Å; Y321-E333 HydrophobicContact CE2-CB 3.88Å; Y321-E333 HydrophobicContact CE2-CG 4.47Å; Y321-E333 HydrophobicContact CG-CB 4.08Å; Y321-E333 HydrophobicContact CG-CG 3.77Å; Y321-L334 WeakPolarHBondContact CE2-O 3.41Å; Y321-L334 PolarHBondContact OH-N 3.27Å; Y321-L334 VanDerWaalsContact OH-N 3.14Å; Y321-L334 PolarHBondContact OH-O 3.45Å
322H92.4Very high95.4Very high111 Ų11156.7 Ų56.751%0.51432%0.324SS..THydrogen-bonded Turntrans-61.6-32.4-167.5-168.972.1000113.9D291 L320 I326D291-H322 PolarHBondContact O-N 2.88Å; L320-H322 PolarHBondContact O-N 3.1Å; L320-H322 VanDerWaalsContact O-N 3.12Å; H322-I326 WeakPolarHBondContact O-CD1 3.49Å
323F92.7Very high95.3Very high33 Ų3358.9 Ų58.915%0.14534%0.336CS..THydrogen-bonded Turntrans-97.3-6.2-173.5-59.4-76.5000114.2T292 H294 Y321 D325 I326 E329T292-F323 VanDerWaalsContact O-CE2 3.25Å; T292-F323 WeakPolarHBondContact O-CE2 3.27Å; H294-F323 HydrophobicContact CB-CD2 4.48Å; H294-F323 AromaticContact CD2-CE2 3.61Å; H294-F323 AromaticContact CD2-CZ 3.73Å; H294-F323 AromaticContact CE1-CD1 3.28Å; H294-F323 WeakPolarHBondContact CE1-CD1 3.47Å; H294-F323 AromaticContact CE1-CD2 3.79Å; H294-F323 AromaticContact CE1-CE1 3.33Å; H294-F323 WeakPolarHBondContact CE1-CE1 3.46Å; H294-F323 AromaticContact CE1-CE2 3.8Å; H294-F323 AromaticContact CE1-CG 3.53Å; H294-F323 AromaticContact CE1-CZ 3.59Å; H294-F323 AromaticContact CG-CD2 3.83Å; H294-F323 AromaticContact CG-CE2 3.85Å; H294-F323 AromaticContact ND1-CD1 3.83Å; H294-F323 AromaticContact ND1-CD2 3.65Å; H294-F323 AromaticContact ND1-CE2 3.96Å; H294-F323 AromaticContact ND1-CG 3.57Å; H294-F323 AromaticContact NE2-CD1 3.82Å; H294-F323 AromaticContact NE2-CE1 3.36Å; H294-F323 WeakPolarHBondContact NE2-CE1 3.36Å; H294-F323 AromaticContact NE2-CE2 3.57Å; H294-F323 AromaticContact NE2-CZ 3.22Å; H294-F323 WeakPolarHBondContact NE2-CZ 3.44Å; Y321-F323 VanDerWaalsContact C-N 3.26Å; Y321-F323 PolarHBondContact O-N 3.2Å; F323-D325 VanDerWaalsContact C-N 3.27Å; F323-D325 PolarHBondContact O-N 3.32Å; F323-I326 HydrophobicContact CD1-CD1 4Å; F323-I326 PolarHBondContact O-N 2.94Å; F323-I326 VanDerWaalsContact O-N 3.1Å; F323-E329 HydrophobicContact CB-CB 4.15Å; F323-E329 HydrophobicContact CD1-CB 4.21Å; F323-E329 HydrophobicContact CD1-CG 4.17Å
324S91.7Very high95.3Very high57 Ų5760.3 Ų60.340%0.39934%0.343SS..THydrogen-bonded Turntrans-58.1-36.4-170.6-165.80000113.8Y321 E333Y321-S324 PolarHBondContact O-N 3.21Å; S324-E333 WeakPolarHBondContact CA-OE1 3.39Å; S324-E333 VanDerWaalsContact CB-OE1 3.29Å; S324-E333 WeakPolarHBondContact CB-OE1 3.44Å; S324-E333 PolarHBondContact OG-OE1 2.83Å
325D88.5Confident95.3Very high154 Ų15462.9 Ų62.982%0.82436%0.361SS*.THydrogen-bonded Turntrans-105.711.2-178.2-67.5-47.7000113.5F323 P327F323-D325 VanDerWaalsContact C-N 3.27Å; F323-D325 PolarHBondContact O-N 3.32Å; D325-P327 WeakPolarHBondContact O-CD 3.24Å
326I90.1Very high95.2Very high66 Ų6665 Ų6534%0.33837%0.369SS..SBendtrans-93.2114.8-178.8-55.1-176.3000109.4H322 F323 G328 E329H322-I326 WeakPolarHBondContact O-CD1 3.49Å; F323-I326 HydrophobicContact CD1-CD1 4Å; F323-I326 PolarHBondContact O-N 2.94Å; F323-I326 VanDerWaalsContact O-N 3.1Å; I326-G328 PolarHBondContact O-N 3.15Å; I326-E329 HydrophobicContact CB-CB 4.16Å; I326-E329 HydrophobicContact CB-CG 3.84Å; I326-E329 HydrophobicContact CG2-CB 4.33Å; I326-E329 HydrophobicContact CG2-CG 3.5Å; I326-E329 PolarHBondContact O-N 3.46Å
327P90.8Very high95.2Very high129 Ų12970.3 Ų70.384%0.83840%0.402SS*.THydrogen-bonded Turntrans-60.9124.5-178.3-23.934.6000112.4D325D325-P327 WeakPolarHBondContact O-CD 3.24Å
328G93.2Very high95.2Very high87 Ų8775.1 Ų75.190%0.89742%0.424SS*.THydrogen-bonded Turntrans92.2-2.2177.500000114.9I326I326-G328 PolarHBondContact O-N 3.15Å
329E93.1Very high95.2Very high94 Ų9474.5 Ų74.544%0.43942%0.42SS..  trans-98.3140.4175.4-61-67.4175.600110.9H294 F323 I326H294-E329 IonicContact CE1-OE2 3.23Å; H294-E329 PolarHBondContact CE1-OE2 2.98Å; H294-E329 IonicContact ND1-OE2 3.19Å; F323-E329 HydrophobicContact CB-CB 4.15Å; F323-E329 HydrophobicContact CD1-CB 4.21Å; F323-E329 HydrophobicContact CD1-CG 4.17Å; I326-E329 HydrophobicContact CB-CB 4.16Å; I326-E329 HydrophobicContact CB-CG 3.84Å; I326-E329 HydrophobicContact CG2-CB 4.33Å; I326-E329 HydrophobicContact CG2-CG 3.5Å; I326-E329 PolarHBondContact O-N 3.46Å
330D94.3Very high95.2Very high140 Ų14076.2 Ų76.275%0.74942%0.423SS*.  trans-82.1140.4169.2-72.2-40.1000110.2H294H294-D330 PolarHBondContact ND1-O 3.44Å
331S96.4Very high95.3Very high26 Ų2674.8 Ų74.818%0.18242%0.416CS..  trans-142.7135.2173.7-1600000110.4H294 E333H294-S331 CarbonylContact O-C 3.57Å; H294-S331 WeakPolarHBondContact O-CA 3.42Å; S331-E333 WeakPolarHBondContact CB-OE1 3.47Å; S331-E333 VanDerWaalsContact O-OE2 3.08Å
332L97Very high95.3Very high61 Ų6174.9 Ų74.932%0.31942%0.421SS..  trans-101.697.3173.3179.766.3000110.1H294 N295 L297 Y321 L334H294-L332 PolarHBondContact O-N 2.94Å; N295-L332 VanDerWaalsContact OD1-CD2 3.3Å; N295-L332 WeakPolarHBondContact OD1-CD2 3.33Å; L297-L332 HydrophobicContact CD1-CD2 3.93Å; L297-L332 HydrophobicContact CG-CD2 3.89Å; Y321-L332 WeakPolarHBondContact CE1-O 3.47Å; L332-L334 HydrophobicContact CD1-CD2 4.16Å; L332-L334 HydrophobicContact CD2-CD2 4.45Å; L332-L334 HydrophobicContact CD2-CG 4.46Å; L332-L334 HydrophobicContact CG-CD2 4.14Å; L332-L334 HydrophobicContact CG-CG 4.23Å; L332-L334 PolarHBondContact O-N 2.85Å
333E97.3Very high95.6Very high87 Ų8769.7 Ų69.741%0.40740%0.397SS..  trans-91.992.2-177.5-50.890.9160.300112.2Y321 S324 S331Y321-E333 HydrophobicContact CD2-CB 3.58Å; Y321-E333 HydrophobicContact CD2-CG 3.72Å; Y321-E333 HydrophobicContact CE2-CB 3.88Å; Y321-E333 HydrophobicContact CE2-CG 4.47Å; Y321-E333 HydrophobicContact CG-CB 4.08Å; Y321-E333 HydrophobicContact CG-CG 3.77Å; S324-E333 WeakPolarHBondContact CA-OE1 3.39Å; S324-E333 VanDerWaalsContact CB-OE1 3.29Å; S324-E333 WeakPolarHBondContact CB-OE1 3.44Å; S324-E333 PolarHBondContact OG-OE1 2.83Å; S331-E333 WeakPolarHBondContact CB-OE1 3.47Å; S331-E333 VanDerWaalsContact O-OE2 3.08Å
334L98.1Very high95.9Very high29 Ų2972.5 Ų72.515%0.15241%0.409CS..  trans-82.5138.6173.4-58.7-176.6000110.9I296 L297 Y321 L332 E338 L339I296-L334 HydrophobicContact CG2-CD1 3.76Å; I296-L334 HydrophobicContact CG2-CG 4.14Å; L297-L334 HydrophobicContact CD2-CD1 4.11Å; Y321-L334 WeakPolarHBondContact CE2-O 3.41Å; Y321-L334 PolarHBondContact OH-N 3.27Å; Y321-L334 VanDerWaalsContact OH-N 3.14Å; Y321-L334 PolarHBondContact OH-O 3.45Å; L332-L334 HydrophobicContact CD1-CD2 4.16Å; L332-L334 HydrophobicContact CD2-CD2 4.45Å; L332-L334 HydrophobicContact CD2-CG 4.46Å; L332-L334 HydrophobicContact CG-CD2 4.14Å; L332-L334 HydrophobicContact CG-CG 4.23Å; L332-L334 PolarHBondContact O-N 2.85Å; L334-E338 HydrophobicContact CB-CB 4.17Å; L334-E338 HydrophobicContact CD2-CB 4.29Å; L334-L339 HydrophobicContact CB-CB 4.31Å; L334-L339 HydrophobicContact CD1-CB 4.48Å
335S98.2Very high96.2Very high55 Ų5579 Ų7939%0.38543%0.425SS..  trans-63.9156.816069.20000110.2T337 E338 L339S335-T337 PolarHBondContact O-N 3.11Å; S335-T337 VanDerWaalsContact O-N 3.13Å; S335-E338 VanDerWaalsContact CB-OE2 3.3Å; S335-E338 WeakPolarHBondContact CB-OE2 3.45Å; S335-E338 PolarHBondContact N-OE2 2.8Å; S335-E338 PolarHBondContact O-N 3.21Å; S335-E338 WeakPolarHBondContact OG-CG 3.45Å; S335-E338 PolarHBondContact OG-N 3.5Å; S335-E338 PolarHBondContact OG-OE2 3.44Å; S335-L339 PolarHBondContact O-N 3.41Å
336Y98.3Very high96.6Very high47 Ų4774 Ų7418%0.18440%0.398CS..Hα-helixtrans-58.8-30.3175.7-175.8-115000112.6L319 L339 R340 E353 V376L319-Y336 HydrophobicContact CD1-CD2 4.41Å; Y336-L339 HydrophobicContact CD2-CD2 4.4Å; Y336-R340 WeakPolarHBondContact O-CB 3.3Å; Y336-R340 PolarHBondContact O-N 3.04Å; Y336-E353 WeakPolarHBondContact OH-CG 3.37Å; Y336-E353 PolarHBondContact OH-OE1 3.05Å; Y336-V376 HydrophobicContact CD1-CG1 3.78Å; Y336-V376 HydrophobicContact CD2-CB 4.13Å; Y336-V376 HydrophobicContact CD2-CG1 3.97Å; Y336-V376 HydrophobicContact CD2-CG2 3.72Å; Y336-V376 HydrophobicContact CE1-CB 4.24Å; Y336-V376 HydrophobicContact CE1-CG1 3.8Å; Y336-V376 HydrophobicContact CE2-CB 3.79Å; Y336-V376 HydrophobicContact CE2-CG1 4.01Å; Y336-V376 HydrophobicContact CE2-CG2 3.58Å; Y336-V376 HydrophobicContact CG-CB 4.49Å; Y336-V376 HydrophobicContact CG-CG1 3.84Å; Y336-V376 HydrophobicContact CG-CG2 4.41Å
337T98.3Very high97Very high112 Ų11272.2 Ų72.269%0.68740%0.396SS*.Hα-helixtrans-63.8-42.9175.9-60.60000111.6S335 L341S335-T337 PolarHBondContact O-N 3.11Å; S335-T337 VanDerWaalsContact O-N 3.13Å; T337-L341 WeakPolarHBondContact O-CB 3.45Å; T337-L341 PolarHBondContact O-N 3.33Å; T337-L341 VanDerWaalsContact O-N 3.13Å
338E98.5Very high97.3Very high102 Ų10266.4 Ų66.448%0.47736%0.357SS..Hα-helixtrans-71-45.3177.8-70.8158.7139.700111.4L334 S335 R340 L341 A342L334-E338 HydrophobicContact CB-CB 4.17Å; L334-E338 HydrophobicContact CD2-CB 4.29Å; S335-E338 VanDerWaalsContact CB-OE2 3.3Å; S335-E338 WeakPolarHBondContact CB-OE2 3.45Å; S335-E338 PolarHBondContact N-OE2 2.8Å; S335-E338 PolarHBondContact O-N 3.21Å; S335-E338 WeakPolarHBondContact OG-CG 3.45Å; S335-E338 PolarHBondContact OG-N 3.5Å; S335-E338 PolarHBondContact OG-OE2 3.44Å; E338-R340 VanDerWaalsContact C-N 3.34Å; E338-R340 PolarHBondContact O-N 3.27Å; E338-L341 WeakPolarHBondContact O-CB 3.49Å; E338-L341 PolarHBondContact O-N 2.84Å; E338-L341 VanDerWaalsContact O-N 3.11Å; E338-A342 PolarHBondContact O-N 3.39Å
339L98.3Very high97.6Very high1 Ų166.6 Ų66.61%0.00534%0.335CS..Hα-helixtrans-57.5-48.1175.6176.760.9000111I290 I296 L300 L319 L334 S335 Y336 L341 A342 I343I290-L339 HydrophobicContact CD1-CD2 3.79Å; I296-L339 HydrophobicContact CD1-CD1 3.82Å; I296-L339 HydrophobicContact CD1-CD2 3.83Å; I296-L339 HydrophobicContact CD1-CG 4.45Å; I296-L339 HydrophobicContact CG1-CD1 4.18Å; L300-L339 HydrophobicContact CD1-CD1 3.96Å; L300-L339 HydrophobicContact CD2-CD1 4.31Å; L300-L339 HydrophobicContact CG-CD1 4.44Å; L319-L339 HydrophobicContact CD1-CD2 4.42Å; L319-L339 HydrophobicContact CD2-CD2 3.93Å; L334-L339 HydrophobicContact CB-CB 4.31Å; L334-L339 HydrophobicContact CD1-CB 4.48Å; S335-L339 PolarHBondContact O-N 3.41Å; Y336-L339 HydrophobicContact CD2-CD2 4.4Å; L339-L341 VanDerWaalsContact C-N 3.25Å; L339-L341 PolarHBondContact O-N 2.92Å; L339-A342 WeakPolarHBondContact O-CB 3.42Å; L339-A342 PolarHBondContact O-N 3.39Å; L339-A342 VanDerWaalsContact O-N 3.09Å; L339-I343 HydrophobicContact CD1-CD1 4.29Å; L339-I343 HydrophobicContact CD1-CG1 4.36Å; L339-I343 HydrophobicContact CG-CD1 4Å; L339-I343 HydrophobicContact CG-CG1 4.5Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.47Å; L339-I343 PolarHBondContact O-N 3.09Å
340R98.1Very high97.8Very high81 Ų8164.5 Ų64.531%0.30633%0.326SS..Hα-helixtrans-59.1-37.2176.7-175.9-177.1-174.5-109.312.1112.4Y336 E338 K344 I350 E353Y336-R340 WeakPolarHBondContact O-CB 3.3Å; Y336-R340 PolarHBondContact O-N 3.04Å; E338-R340 VanDerWaalsContact C-N 3.34Å; E338-R340 PolarHBondContact O-N 3.27Å; R340-K344 WeakPolarHBondContact O-CG 3.38Å; R340-K344 PolarHBondContact O-N 3.37Å; R340-K344 VanDerWaalsContact O-N 3.14Å; R340-I350 HydrophobicContact CG-CD1 4.08Å; R340-E353 WeakPolarHBondContact CD-OE1 3.48Å; R340-E353 IonicContact CZ-OE1 2.84Å; R340-E353 IonicContact CZ-OE2 2.74Å; R340-E353 VanDerWaalsContact CZ-OE2 3.23Å; R340-E353 IonicContact NE-OE1 2.77Å; R340-E353 PolarHBondContact NE-OE1 2.87Å; R340-E353 IonicContact NE-OE2 3.59Å; R340-E353 PolarHBondContact NE-OE2 3.38Å; R340-E353 IonicContact NH2-OE2 3.91Å; R340-E353 PolarHBondContact NH2-OE2 3.27Å
341L98.2Very high98Very high77 Ų7761.5 Ų61.540%0.40331%0.313SS..Hα-helixtrans-69-40175.5-175.360.4000111.6T337 E338 L339 K344 R345T337-L341 WeakPolarHBondContact O-CB 3.45Å; T337-L341 PolarHBondContact O-N 3.33Å; T337-L341 VanDerWaalsContact O-N 3.13Å; E338-L341 WeakPolarHBondContact O-CB 3.49Å; E338-L341 PolarHBondContact O-N 2.84Å; E338-L341 VanDerWaalsContact O-N 3.11Å; L339-L341 VanDerWaalsContact C-N 3.25Å; L339-L341 PolarHBondContact O-N 2.92Å; L341-K344 PolarHBondContact O-N 2.91Å; L341-R345 WeakPolarHBondContact O-CB 3.47Å; L341-R345 VanDerWaalsContact O-CG 3.29Å; L341-R345 WeakPolarHBondContact O-CG 3.32Å; L341-R345 PolarHBondContact O-N 2.78Å
342A98.6Very high98.1Very high23 Ų2365 Ų6519%0.1932%0.322CS..Hα-helixtrans-61.3-46.9173.900000111.4L297 L300 E338 L339 K344 R345 L346L297-A342 HydrophobicContact CD2-CB 4.09Å; L300-A342 HydrophobicContact CD1-CB 4.02Å; E338-A342 PolarHBondContact O-N 3.39Å; L339-A342 WeakPolarHBondContact O-CB 3.42Å; L339-A342 PolarHBondContact O-N 3.39Å; L339-A342 VanDerWaalsContact O-N 3.09Å; A342-K344 VanDerWaalsContact C-N 3.31Å; A342-K344 PolarHBondContact O-N 3.49Å; A342-R345 PolarHBondContact O-N 3Å; A342-R345 VanDerWaalsContact O-N 3.08Å; A342-L346 PolarHBondContact O-N 3.18Å
343I98.6Very high98.1Very high2 Ų265.1 Ų65.11%0.0132%0.321CS..Hα-helixtrans-53.8-47.6175.4-67.6170.3000111L300 W313 L339 L346 G347 F348 F380L300-I343 HydrophobicContact CD1-CG1 4.16Å; L300-I343 HydrophobicContact CD2-CG1 3.94Å; W313-I343 HydrophobicContact CH2-CD1 3.7Å; W313-I343 HydrophobicContact CH2-CG1 4.14Å; W313-I343 HydrophobicContact CZ3-CD1 3.72Å; W313-I343 HydrophobicContact CZ3-CG1 3.85Å; W313-I343 HydrophobicContact CZ3-CG2 4.27Å; L339-I343 HydrophobicContact CD1-CD1 4.29Å; L339-I343 HydrophobicContact CD1-CG1 4.36Å; L339-I343 HydrophobicContact CG-CD1 4Å; L339-I343 HydrophobicContact CG-CG1 4.5Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.47Å; L339-I343 PolarHBondContact O-N 3.09Å; I343-L346 PolarHBondContact O-N 3.26Å; I343-G347 PolarHBondContact O-N 2.92Å; I343-F348 HydrophobicContact CG2-CB 3.63Å; I343-F348 HydrophobicContact CG2-CD2 4.1Å; I343-F348 HydrophobicContact CG2-CG 4.16Å; I343-F348 PolarHBondContact O-N 2.86Å; I343-F380 HydrophobicContact CD1-CE1 4.5Å; I343-F380 HydrophobicContact CD1-CE2 4.31Å; I343-F380 HydrophobicContact CD1-CZ 4.05Å; I343-F380 HydrophobicContact CG2-CD1 3.89Å; I343-F380 HydrophobicContact CG2-CE1 4.03Å; I343-F380 HydrophobicContact CG2-CG 4.29Å
344K98.1Very high98.2Very high92 Ų9266.4 Ų66.440%0.433%0.325SS..Hα-helixtrans-64.6-41.5176.5-74.7-174.8-179.2-173.10113.1R340 L341 A342 L346 G347 I350R340-K344 WeakPolarHBondContact O-CG 3.38Å; R340-K344 PolarHBondContact O-N 3.37Å; R340-K344 VanDerWaalsContact O-N 3.14Å; L341-K344 PolarHBondContact O-N 2.91Å; A342-K344 VanDerWaalsContact C-N 3.31Å; A342-K344 PolarHBondContact O-N 3.49Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-G347 PolarHBondContact O-N 3.35Å; K344-G347 VanDerWaalsContact O-N 3.14Å; K344-I350 HydrophobicContact CD-CD1 4.26Å; K344-I350 HydrophobicContact CG-CD1 4.05Å; K344-I350 HydrophobicContact CG-CG1 4.38Å
345R98.1Very high98.1Very high195 Ų19567.9 Ų67.974%0.73634%0.338SS*.Hα-helixtrans-68.1-31.5-179.4-76.9173.3175.8173.8-0.9112.3L341 A342 G347L341-R345 WeakPolarHBondContact O-CB 3.47Å; L341-R345 VanDerWaalsContact O-CG 3.29Å; L341-R345 WeakPolarHBondContact O-CG 3.32Å; L341-R345 PolarHBondContact O-N 2.78Å; A342-R345 PolarHBondContact O-N 3Å; A342-R345 VanDerWaalsContact O-N 3.08Å; R345-G347 PolarHBondContact O-N 2.94Å
346L97.3Very high98.1Very high47 Ų4770.8 Ų70.825%0.24635%0.349CS..Hα-helixtrans-67.2-26.5172.9-168.556.8000111.9L300 W304 A342 I343 K344 F348L300-L346 HydrophobicContact CB-CD2 3.82Å; L300-L346 WeakPolarHBondContact O-CD2 3.38Å; W304-L346 HydrophobicContact CB-CD2 3.78Å; W304-L346 HydrophobicContact CB-CG 4.17Å; W304-L346 HydrophobicContact CD2-CG 4.08Å; W304-L346 HydrophobicContact CE3-CG 4.08Å; W304-L346 HydrophobicContact CG-CD1 4.34Å; W304-L346 HydrophobicContact CG-CD2 4.29Å; W304-L346 HydrophobicContact CG-CG 4.14Å; W304-L346 WeakPolarHBondContact CH2-O 3.27Å; W304-L346 WeakPolarHBondContact CZ3-O 3.34Å; A342-L346 PolarHBondContact O-N 3.18Å; I343-L346 PolarHBondContact O-N 3.26Å; K344-L346 VanDerWaalsContact C-N 3.3Å; L346-F348 HydrophobicContact CD2-CD2 4.33Å; L346-F348 HydrophobicContact CD2-CE2 3.99Å
347G98Very high98.1Very high29 Ų2969.3 Ų69.330%0.29934%0.344SS..THydrogen-bonded Turntrans117.7717200000114.5I343 K344 R345 P383I343-G347 PolarHBondContact O-N 2.92Å; K344-G347 PolarHBondContact O-N 3.35Å; K344-G347 VanDerWaalsContact O-N 3.14Å; R345-G347 PolarHBondContact O-N 2.94Å; G347-P383 VanDerWaalsContact O-CD 3.24Å; G347-P383 WeakPolarHBondContact O-CD 3.32Å; G347-P383 VanDerWaalsContact O-CG 3.22Å; G347-P383 WeakPolarHBondContact O-CG 3.34Å
348F98.5Very high98Very high8 Ų869.5 Ų69.54%0.03534%0.338CS..  trans-66.6134.2175.6-80-74.6000112I303 W304 L307 W313 I343 L346 F380 K382I303-F348 HydrophobicContact CG2-CE2 4.49Å; I303-F348 HydrophobicContact CG2-CZ 3.9Å; W304-F348 HydrophobicContact CB-CE2 4.17Å; W304-F348 HydrophobicContact CB-CZ 4.28Å; W304-F348 HydrophobicContact CE3-CD2 4.05Å; W304-F348 HydrophobicContact CE3-CE1 4.32Å; W304-F348 AromaticContact CE3-CE2 3.74Å; W304-F348 HydrophobicContact CE3-CE2 3.74Å; W304-F348 HydrophobicContact CE3-CG 4.46Å; W304-F348 AromaticContact CE3-CZ 3.86Å; W304-F348 HydrophobicContact CE3-CZ 3.86Å; L307-F348 HydrophobicContact CD1-CE1 3.76Å; L307-F348 HydrophobicContact CD1-CZ 4.02Å; W313-F348 HydrophobicContact CE3-CE2 4.32Å; W313-F348 HydrophobicContact CE3-CZ 4.37Å; I343-F348 HydrophobicContact CG2-CB 3.63Å; I343-F348 HydrophobicContact CG2-CD2 4.1Å; I343-F348 HydrophobicContact CG2-CG 4.16Å; I343-F348 PolarHBondContact O-N 2.86Å; L346-F348 HydrophobicContact CD2-CD2 4.33Å; L346-F348 HydrophobicContact CD2-CE2 3.99Å; F348-F380 HydrophobicContact CB-CB 4.24Å; F348-F380 HydrophobicContact CD1-CB 3.94Å; F348-F380 HydrophobicContact CG-CB 4.28Å; F348-K382 HydrophobicContact CE1-CB 4.12Å
349E98.2Very high97.9Very high91 Ų9164.7 Ų64.743%0.42532%0.315SS..EExtended strand (participates in β ladder)trans-79.9128.9166.6-64.7170-174.500109V351 F380 R381 P383E349-V351 PolarHBondContact O-N 3.25Å; E349-F380 CarbonylContact O-C 3.59Å; E349-F380 VanDerWaalsContact O-CA 3.26Å; E349-F380 WeakPolarHBondContact O-CA 3.41Å; E349-R381 HydrophobicContact CB-CB 4.31Å; E349-R381 PolarHBondContact N-O 2.79Å; E349-R381 PolarHBondContact O-N 2.56Å; E349-P383 HydrophobicContact CG-CG 4.3Å
350I98Very high97.8Very high49 Ų4965.1 Ų65.125%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-83.5111.1172.9-53.1-171.4000108.3R340 K344 E353 F380R340-I350 HydrophobicContact CG-CD1 4.08Å; K344-I350 HydrophobicContact CD-CD1 4.26Å; K344-I350 HydrophobicContact CG-CD1 4.05Å; K344-I350 HydrophobicContact CG-CG1 4.38Å; I350-E353 HydrophobicContact CG2-CB 4.05Å; I350-F380 HydrophobicContact CB-CD1 4.36Å; I350-F380 HydrophobicContact CB-CE1 4.49Å; I350-F380 HydrophobicContact CD1-CE1 4.27Å; I350-F380 HydrophobicContact CG1-CD1 3.95Å; I350-F380 HydrophobicContact CG1-CE1 3.95Å; I350-F380 HydrophobicContact CG2-CD1 4.37Å; I350-F380 HydrophobicContact CG2-CE1 4.18Å
351V98.5Very high97.7Very high78 Ų7864.7 Ų64.747%0.47332%0.318SS..EExtended strand (participates in β ladder)trans-86.3-46.6179-176.60000110.5Y312 E349 L379 R381Y312-V351 HydrophobicContact CE1-CG2 4.3Å; E349-V351 PolarHBondContact O-N 3.25Å; V351-L379 WeakPolarHBondContact CA-O 3.34Å; V351-L379 HydrophobicContact CB-CB 4.39Å; V351-L379 HydrophobicContact CB-CD2 3.96Å; V351-L379 HydrophobicContact CB-CG 3.88Å; V351-L379 WeakPolarHBondContact CB-O 3.5Å; V351-L379 HydrophobicContact CG1-CD2 3.73Å; V351-L379 HydrophobicContact CG1-CG 4.23Å; V351-L379 HydrophobicContact CG2-CG 4.37Å; V351-L379 PolarHBondContact N-O 2.92Å; V351-R381 HydrophobicContact CG2-CB 3.81Å
352R97.8Very high97.7Very high100 Ų10062 Ų6238%0.37731%0.305SS..EExtended strand (participates in β ladder)trans-146.8148.9177.3-158.4-176.6-66.6149.9-2.7109.9D162 E165 Y377 G378 L379D162-R352 IonicContact OD1-CZ 3.61Å; D162-R352 IonicContact OD1-NH1 2.65Å; D162-R352 PolarHBondContact OD1-NH1 3.48Å; D162-R352 IonicContact OD1-NH2 3.97Å; E165-R352 IonicContact OE1-NH2 3.7Å; E165-R352 IonicContact OE2-CZ 3.94Å; E165-R352 IonicContact OE2-NH2 2.89Å; E165-R352 PolarHBondContact OE2-NH2 2.9Å; R352-Y377 HydrophobicContact CB-CE1 4.19Å; R352-Y377 HydrophobicContact CG-CE1 4.02Å; R352-Y377 PolarHBondContact NH1-OH 3.1Å; R352-G378 WeakPolarHBondContact O-CA 3.4Å; R352-L379 HydrophobicContact CB-CB 4.08Å; R352-L379 PolarHBondContact N-O 2.91Å; R352-L379 VanDerWaalsContact N-O 3.15Å; R352-L379 PolarHBondContact O-N 3.27Å
353E97.7Very high97.3Very high62 Ų6263.5 Ų63.529%0.2931%0.308SS..EExtended strand (participates in β ladder)trans-150.5140.6179.3-167.9172.9-116.300109.2Y336 R340 I350 Y377Y336-E353 WeakPolarHBondContact OH-CG 3.37Å; Y336-E353 PolarHBondContact OH-OE1 3.05Å; R340-E353 WeakPolarHBondContact CD-OE1 3.48Å; R340-E353 IonicContact CZ-OE1 2.84Å; R340-E353 IonicContact CZ-OE2 2.74Å; R340-E353 VanDerWaalsContact CZ-OE2 3.23Å; R340-E353 IonicContact NE-OE1 2.77Å; R340-E353 PolarHBondContact NE-OE1 2.87Å; R340-E353 IonicContact NE-OE2 3.59Å; R340-E353 PolarHBondContact NE-OE2 3.38Å; R340-E353 IonicContact NH2-OE2 3.91Å; R340-E353 PolarHBondContact NH2-OE2 3.27Å; I350-E353 HydrophobicContact CG2-CB 4.05Å; E353-Y377 CarbonylContact C-O 3.58Å; E353-Y377 WeakPolarHBondContact CA-O 3.45Å
354K98.1Very high97.1Very high114 Ų11463.7 Ų63.750%0.49631%0.309SS..EExtended strand (participates in β ladder)trans-148.4137.2174.9-173.6176.3177.1-174.80109.6F158 I357 Y377F158-K354 HydrophobicContact CE1-CD 4.4Å; F158-K354 HydrophobicContact CZ-CD 4.47Å; K354-I357 HydrophobicContact CB-CD1 4.21Å; K354-I357 HydrophobicContact CD-CD1 3.94Å; K354-I357 HydrophobicContact CD-CG1 4.04Å; K354-I357 HydrophobicContact CG-CD1 4.03Å; K354-I357 HydrophobicContact CG-CG1 4.06Å; K354-Y377 HydrophobicContact CB-CD1 3.9Å; K354-Y377 PolarHBondContact N-O 3.01Å; K354-Y377 PolarHBondContact O-N 3Å
355S97.2Very high96.8Very high60 Ų6064.2 Ų64.242%0.4232%0.322SS..EExtended strand (participates in β ladder)trans-110.6178.1173.661.50000111.4I357S355-I357 VanDerWaalsContact C-N 3.25Å; S355-I357 PolarHBondContact O-N 3Å
356D97.1Very high96.7Very high116 Ų11657 Ų5762%0.6230%0.302SS*.EExtended strand (participates in β ladder)trans60.532.8170-51.9-62.9000113.7Q358 C375D356-Q358 PolarHBondContact O-N 3.31Å; D356-C375 PolarHBondContact N-O 3.21Å
357I98.2Very high96.6Very high16 Ų1655.8 Ų55.88%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-85.9109.3174.9-53.2170.9000107.9I154 F158 F316 K354 S355 C359 Y373 C375I154-I357 HydrophobicContact CG2-CG2 4.02Å; F158-I357 HydrophobicContact CE1-CD1 4.16Å; F158-I357 HydrophobicContact CE2-CD1 4.24Å; F158-I357 HydrophobicContact CZ-CD1 3.78Å; F316-I357 HydrophobicContact CE2-CB 4.47Å; F316-I357 HydrophobicContact CE2-CD1 3.87Å; F316-I357 HydrophobicContact CE2-CG2 4Å; F316-I357 HydrophobicContact CZ-CB 4.35Å; F316-I357 HydrophobicContact CZ-CG2 3.82Å; K354-I357 HydrophobicContact CB-CD1 4.21Å; K354-I357 HydrophobicContact CD-CD1 3.94Å; K354-I357 HydrophobicContact CD-CG1 4.04Å; K354-I357 HydrophobicContact CG-CD1 4.03Å; K354-I357 HydrophobicContact CG-CG1 4.06Å; S355-I357 VanDerWaalsContact C-N 3.25Å; S355-I357 PolarHBondContact O-N 3Å; I357-C359 PolarHBondContact O-N 3.35Å; I357-Y373 VanDerWaalsContact O-O 3.1Å; I357-C375 HydrophobicContact CB-CB 4.48Å; I357-C375 PolarHBondContact N-O 3Å; I357-C375 PolarHBondContact O-N 3.28Å
358Q97.4Very high96.6Very high117 Ų11760.2 Ų60.255%0.54731%0.311SS..EExtended strand (participates in β ladder)trans-71119.5177.6-62.4-131.7-5400110.7D356 Y373 N374D356-Q358 PolarHBondContact O-N 3.31Å; Q358-Y373 CarbonylContact C-O 3.53Å; Q358-Y373 WeakPolarHBondContact CA-O 3.35Å; Q358-N374 PolarHBondContact NE2-OD1 3.38Å
359C97.1Very high96.5Very high1 Ų163.4 Ų63.41%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-136.7133.9177.7-168.80000110.3I154 F288 F316 I357 Y373I154-C359 HydrophobicContact CG2-CB 3.72Å; F288-C359 HydrophobicContact CZ-CB 4.31Å; F316-C359 HydrophobicContact CE1-CB 4.14Å; F316-C359 HydrophobicContact CZ-CB 4.31Å; I357-C359 PolarHBondContact O-N 3.35Å; C359-Y373 PolarHBondContact N-O 3.44Å; C359-Y373 WeakPolarHBondContact O-CD2 3.46Å; C359-Y373 PolarHBondContact O-N 3.29Å
360G95.1Very high96.3Very high9 Ų962.3 Ų62.39%0.09333%0.33CS..  trans-77.6173.7166.700000111.7
361Y97.2Very high96.1Very high73 Ų7367.4 Ų67.429%0.28635%0.348SS..SBendtrans-144.3112.7168.5-165.6-91.3000110.6Q139 E151 F288 Q363Q139-Y361 PolarHBondContact NE2-OH 2.92Å; E151-Y361 VanDerWaalsContact OE1-CA 3.3Å; E151-Y361 WeakPolarHBondContact OE1-CA 3.47Å; E151-Y361 PolarHBondContact OE2-N 3.26Å; F288-Y361 HydrophobicContact CB-CD2 4.39Å; F288-Y361 HydrophobicContact CB-CE2 3.85Å; F288-Y361 AromaticContact CD1-CD2 3.37Å; F288-Y361 HydrophobicContact CD1-CD2 3.37Å; F288-Y361 AromaticContact CD1-CE2 3.68Å; F288-Y361 HydrophobicContact CD1-CE2 3.68Å; F288-Y361 HydrophobicContact CD1-CG 4.2Å; F288-Y361 HydrophobicContact CD2-CD2 4.34Å; F288-Y361 HydrophobicContact CD2-CE2 4.5Å; F288-Y361 AromaticContact CE1-CD2 3.52Å; F288-Y361 HydrophobicContact CE1-CD2 3.52Å; F288-Y361 HydrophobicContact CE1-CE2 4.3Å; F288-Y361 HydrophobicContact CE1-CG 4.11Å; F288-Y361 HydrophobicContact CE2-CD2 4.46Å; F288-Y361 AromaticContact CG-CD2 3.81Å; F288-Y361 HydrophobicContact CG-CD2 3.81Å; F288-Y361 AromaticContact CG-CE2 3.79Å; F288-Y361 HydrophobicContact CG-CE2 3.79Å; F288-Y361 HydrophobicContact CZ-CD2 4.08Å; Y361-Q363 PolarHBondContact O-N 3.31Å; Y361-Q363 VanDerWaalsContact O-N 3.15Å
362T96.5Very high96Very high19 Ų1967.7 Ų67.712%0.11735%0.346CS..SBendtrans51.835.8179.3650000113.9K138 Q139 R142 E151K138-T362 HydrophobicContact CB-CG2 4.32Å; Q139-T362 HydrophobicContact CG-CG2 4.23Å; R142-T362 HydrophobicContact CB-CG2 4.13Å; E151-T362 VanDerWaalsContact CD-N 3.33Å; E151-T362 PolarHBondContact OE1-N 3.47Å; E151-T362 PolarHBondContact OE2-N 3.18Å
363Q90.2Very high96Very high55 Ų5566 Ų6626%0.25734%0.341SS..  trans-76.7137.7-172.2-177.7155.592.900111.9W231 Y361 P365 S370 Y371W231-Q363 WeakPolarHBondContact CH2-O 3.23Å; Y361-Q363 PolarHBondContact O-N 3.31Å; Y361-Q363 VanDerWaalsContact O-N 3.15Å; Q363-P365 VanDerWaalsContact O-CD 3.26Å; Q363-P365 WeakPolarHBondContact O-CD 3.48Å; Q363-S370 VanDerWaalsContact CD-CB 3.43Å; Q363-S370 VanDerWaalsContact NE2-CA 3.28Å; Q363-Y371 PolarHBondContact NE2-O 3.49Å
364N94.6Very high96Very high7 Ų767.5 Ų67.54%0.03735%0.35CS..  trans-74.6112.6165.3177.1-0.5000108.6W231 S366 S367W231-N364 HydrophobicContact CD2-CB 3.69Å; W231-N364 HydrophobicContact CE3-CB 3.6Å; W231-N364 HydrophobicContact CG-CB 4.33Å; W231-N364 HydrophobicContact CH2-CB 4.05Å; W231-N364 HydrophobicContact CZ2-CB 4.14Å; W231-N364 HydrophobicContact CZ3-CB 3.77Å; N364-S366 PolarHBondContact O-N 3.45Å; N364-S366 PolarHBondContact OD1-N 2.77Å; N364-S367 VanDerWaalsContact O-CB 3.27Å; N364-S367 WeakPolarHBondContact O-CB 3.4Å; N364-S367 PolarHBondContact O-N 2.91Å; N364-S367 VanDerWaalsContact O-N 3.12Å
365P92.5Very high96Very high103 Ų10362 Ų6267%0.66933%0.327SS*.THydrogen-bonded Turntrans-66.3-23-175.727.7-35.5000113.4Q363Q363-P365 VanDerWaalsContact O-CD 3.26Å; Q363-P365 WeakPolarHBondContact O-CD 3.48Å
366S95.2Very high96.1Very high44 Ų4459.9 Ų59.931%0.30831%0.311SS..THydrogen-bonded Turntrans-92.41.2177.5-64.80000113.7D243 N364D243-S366 VanDerWaalsContact CG-CB 3.45Å; D243-S366 VanDerWaalsContact OD1-CB 3.26Å; D243-S366 WeakPolarHBondContact OD1-CB 3.3Å; D243-S366 PolarHBondContact OD1-OG 2.85Å; N364-S366 PolarHBondContact O-N 3.45Å; N364-S366 PolarHBondContact OD1-N 2.77Å
367S96.9Very high96.2Very high21 Ų2154.4 Ų54.415%0.14728%0.282CS..BIsolated β-bridgetrans-70.3138.1-180179.60000111.2Q234 N237 N364 L369Q234-S367 PolarHBondContact NE2-OG 3.22Å; Q234-S367 VanDerWaalsContact NE2-OG 3.12Å; N237-S367 WeakPolarHBondContact O-CA 3.37Å; N364-S367 VanDerWaalsContact O-CB 3.27Å; N364-S367 WeakPolarHBondContact O-CB 3.4Å; N364-S367 PolarHBondContact O-N 2.91Å; N364-S367 VanDerWaalsContact O-N 3.12Å; S367-L369 VanDerWaalsContact CB-O 3.29Å; S367-L369 WeakPolarHBondContact CB-O 3.19Å; S367-L369 PolarHBondContact O-N 2.85Å; S367-L369 PolarHBondContact OG-N 2.93Å; S367-L369 VanDerWaalsContact OG-N 3.15Å; S367-L369 PolarHBondContact OG-O 2.86Å
368M97.6Very high96.2Very high122 Ų12253.7 Ų53.760%0.60128%0.278SS*.SBendtrans-68.2-14.3170.7-58.4172.767.200112.7N237 M239N237-M368 HydrophobicContact CB-CB 3.96Å; N237-M368 PolarHBondContact O-N 3.05Å; M239-M368 HydrophobicContact CG-CG 3.81Å; M239-M368 HydrophobicContact CG-SD 4.46Å; M239-M368 HydrophobicContact SD-CE 4.16Å; M239-M368 HydrophobicContact SD-CG 3.71Å; M239-M368 HydrophobicContact SD-SD 3.87Å
369L96.6Very high96.2Very high75 Ų7548.2 Ų48.239%0.39325%0.253SS..  trans-117.8128.4175.1176.765.4000110N237 S367 Y371N237-L369 HydrophobicContact CB-CB 4.06Å; N237-L369 WeakPolarHBondContact ND2-CB 3.29Å; S367-L369 VanDerWaalsContact CB-O 3.29Å; S367-L369 WeakPolarHBondContact CB-O 3.19Å; S367-L369 PolarHBondContact O-N 2.85Å; S367-L369 PolarHBondContact OG-N 2.93Å; S367-L369 VanDerWaalsContact OG-N 3.15Å; S367-L369 PolarHBondContact OG-O 2.86Å; L369-Y371 HydrophobicContact CD2-CE2 4.25Å; L369-Y371 HydrophobicContact CG-CE2 4.47Å
370S94.2Very high96.3Very high67 Ų6748.3 Ų48.347%0.46925%0.253SS..  trans-129.1146.7175.253.50000111.5Q363Q363-S370 VanDerWaalsContact CD-CB 3.43Å; Q363-S370 VanDerWaalsContact NE2-CA 3.28Å
371Y93.7Very high96.5Very high157 Ų15750.8 Ų50.862%0.61626%0.259SS*.  trans-113133.4168.4-59.7-74.4000108.8Q363 L369Q363-Y371 PolarHBondContact NE2-O 3.49Å; L369-Y371 HydrophobicContact CD2-CE2 4.25Å; L369-Y371 HydrophobicContact CG-CE2 4.47Å
372N94.9Very high96.6Very high83 Ų8347.6 Ų47.644%0.44425%0.247SC..  trans-124.8135.8170.1-73.9-47.7000108.5
373Y97.8Very high96.6Very high65 Ų6547.8 Ų47.826%0.25525%0.249SC..EExtended strand (participates in β ladder)trans-92.5137.9172.7-60.8-84000109.1F288 P318 L320 I357 Q358 C359 C375F288-Y373 AromaticContact CE1-CD2 3.77Å; F288-Y373 HydrophobicContact CE1-CD2 3.77Å; F288-Y373 HydrophobicContact CE1-CE2 4.08Å; F288-Y373 HydrophobicContact CE1-CG 4.16Å; F288-Y373 HydrophobicContact CZ-CD2 4.15Å; P318-Y373 HydrophobicContact CB-CD1 3.61Å; P318-Y373 HydrophobicContact CB-CE1 4.39Å; P318-Y373 HydrophobicContact CB-CG 4.08Å; P318-Y373 HydrophobicContact CG-CD1 3.71Å; P318-Y373 HydrophobicContact CG-CE1 4.17Å; P318-Y373 HydrophobicContact CG-CG 4.04Å; L320-Y373 HydrophobicContact CD2-CE1 4.01Å; I357-Y373 VanDerWaalsContact O-O 3.1Å; Q358-Y373 CarbonylContact C-O 3.53Å; Q358-Y373 WeakPolarHBondContact CA-O 3.35Å; C359-Y373 PolarHBondContact N-O 3.44Å; C359-Y373 WeakPolarHBondContact O-CD2 3.46Å; C359-Y373 PolarHBondContact O-N 3.29Å; Y373-C375 PolarHBondContact O-N 3.05Å
374N98Very high96.7Very high93 Ų9350.7 Ų50.750%0.49727%0.265SS..EExtended strand (participates in β ladder)trans-89.588.8164.8-66-28.6000107.2Q358Q358-N374 PolarHBondContact NE2-OD1 3.38Å
375C98.6Very high95.9Very high0 Ų055.4 Ų55.40%029%0.294CS..EExtended strand (participates in β ladder)trans-75.1153-174.6-63.40000111.9F316 G317 D356 I357 Y373F316-C375 HydrophobicContact CD1-CB 4.3Å; F316-C375 HydrophobicContact CE1-CB 3.72Å; F316-C375 HydrophobicContact CZ-CB 3.98Å; G317-C375 WeakPolarHBondContact O-CA 3.47Å; D356-C375 PolarHBondContact N-O 3.21Å; I357-C375 HydrophobicContact CB-CB 4.48Å; I357-C375 PolarHBondContact N-O 3Å; I357-C375 PolarHBondContact O-N 3.28Å; Y373-C375 PolarHBondContact O-N 3.05Å
376V98.5Very high94.4Very high15 Ų1553.7 Ų53.79%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-100.1141.2164.7-690000109.3F316 G317 Y336F316-V376 WeakPolarHBondContact CA-O 3.39Å; G317-V376 PolarHBondContact N-O 2.83Å; G317-V376 VanDerWaalsContact O-CG2 3.29Å; G317-V376 WeakPolarHBondContact O-CG2 3.04Å; G317-V376 PolarHBondContact O-N 3.21Å; Y336-V376 HydrophobicContact CD1-CG1 3.78Å; Y336-V376 HydrophobicContact CD2-CB 4.13Å; Y336-V376 HydrophobicContact CD2-CG1 3.97Å; Y336-V376 HydrophobicContact CD2-CG2 3.72Å; Y336-V376 HydrophobicContact CE1-CB 4.24Å; Y336-V376 HydrophobicContact CE1-CG1 3.8Å; Y336-V376 HydrophobicContact CE2-CB 3.79Å; Y336-V376 HydrophobicContact CE2-CG1 4.01Å; Y336-V376 HydrophobicContact CE2-CG2 3.58Å; Y336-V376 HydrophobicContact CG-CB 4.49Å; Y336-V376 HydrophobicContact CG-CG1 3.84Å; Y336-V376 HydrophobicContact CG-CG2 4.41Å
377Y98.7Very high92.1Very high1 Ų157.3 Ų57.30%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-120.9137.5170.8154.5-90.9000109F158 D162 I314 N315 F316 R352 E353 K354F158-Y377 HydrophobicContact CB-CD2 3.88Å; F158-Y377 HydrophobicContact CB-CE2 3.89Å; F158-Y377 HydrophobicContact CD1-CD1 4.01Å; F158-Y377 AromaticContact CD1-CD2 3.68Å; F158-Y377 HydrophobicContact CD1-CD2 3.68Å; F158-Y377 HydrophobicContact CD1-CE1 4.1Å; F158-Y377 AromaticContact CD1-CE2 3.76Å; F158-Y377 HydrophobicContact CD1-CE2 3.76Å; F158-Y377 AromaticContact CD1-CG 3.79Å; F158-Y377 HydrophobicContact CD1-CG 3.79Å; F158-Y377 AromaticContact CD1-CZ 3.96Å; F158-Y377 HydrophobicContact CE1-CD1 4.21Å; F158-Y377 HydrophobicContact CE1-CE1 4.47Å; F158-Y377 HydrophobicContact CE1-CG 4.23Å; F158-Y377 HydrophobicContact CG-CD2 4.03Å; F158-Y377 HydrophobicContact CG-CE2 4.25Å; F158-Y377 HydrophobicContact CG-CG 4.44Å; D162-Y377 VanDerWaalsContact CG-OH 3.27Å; D162-Y377 PolarHBondContact OD1-OH 2.99Å; D162-Y377 WeakPolarHBondContact OD2-CE2 3.49Å; D162-Y377 VanDerWaalsContact OD2-CZ 3.27Å; D162-Y377 PolarHBondContact OD2-OH 3.28Å; I314-Y377 HydrophobicContact CG2-CD2 4.49Å; I314-Y377 HydrophobicContact CG2-CE2 4.03Å; N315-Y377 CarbonylContact O-C 3.5Å; N315-Y377 VanDerWaalsContact O-CA 3.26Å; N315-Y377 WeakPolarHBondContact O-CA 3.48Å; F316-Y377 HydrophobicContact CD2-CD2 4.44Å; R352-Y377 HydrophobicContact CB-CE1 4.19Å; R352-Y377 HydrophobicContact CG-CE1 4.02Å; R352-Y377 PolarHBondContact NH1-OH 3.1Å; E353-Y377 CarbonylContact C-O 3.58Å; E353-Y377 WeakPolarHBondContact CA-O 3.45Å; K354-Y377 HydrophobicContact CB-CD1 3.9Å; K354-Y377 PolarHBondContact N-O 3.01Å; K354-Y377 PolarHBondContact O-N 3Å
378G98.5Very high89.5Confident0 Ų061.1 Ų61.10%032%0.32CS..EExtended strand (participates in β ladder)trans-145.1135.7175.600000111.7I314 N315 R352I314-G378 WeakPolarHBondContact CA-O 3.32Å; N315-G378 PolarHBondContact N-O 3.07Å; N315-G378 PolarHBondContact O-N 3.29Å; R352-G378 WeakPolarHBondContact O-CA 3.4Å
379L98.9Very high86.6Confident3 Ų358.2 Ų58.22%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-109.2117.4165.7172.865.3000107.7L166 Y312 I314 V351 R352L166-L379 HydrophobicContact CD1-CD1 3.82Å; L166-L379 HydrophobicContact CD1-CD2 4.24Å; Y312-L379 HydrophobicContact CD1-CD1 3.98Å; Y312-L379 HydrophobicContact CG-CD1 4.41Å; I314-L379 HydrophobicContact CD1-CD1 4.39Å; I314-L379 HydrophobicContact CG1-CD1 3.55Å; V351-L379 WeakPolarHBondContact CA-O 3.34Å; V351-L379 HydrophobicContact CB-CB 4.39Å; V351-L379 HydrophobicContact CB-CD2 3.96Å; V351-L379 HydrophobicContact CB-CG 3.88Å; V351-L379 WeakPolarHBondContact CB-O 3.5Å; V351-L379 HydrophobicContact CG1-CD2 3.73Å; V351-L379 HydrophobicContact CG1-CG 4.23Å; V351-L379 HydrophobicContact CG2-CG 4.37Å; V351-L379 PolarHBondContact N-O 2.92Å; R352-L379 HydrophobicContact CB-CB 4.08Å; R352-L379 PolarHBondContact N-O 2.91Å; R352-L379 VanDerWaalsContact N-O 3.15Å; R352-L379 PolarHBondContact O-N 3.27Å
380F98.8Very high83.9Confident2 Ų260.2 Ų60.21%0.00933%0.329CS..EExtended strand (participates in β ladder)trans-118.4154.1-177.1-50.3-73.5000110.5Y312 W313 N315 I343 F348 E349 I350Y312-F380 CarbonylContact C-O 3.33Å; Y312-F380 VanDerWaalsContact CA-O 3.29Å; Y312-F380 WeakPolarHBondContact CA-O 3.3Å; W313-F380 HydrophobicContact CB-CB 4.44Å; W313-F380 AromaticContact CD2-CD2 3.81Å; W313-F380 HydrophobicContact CD2-CD2 3.81Å; W313-F380 HydrophobicContact CD2-CE2 4.46Å; W313-F380 HydrophobicContact CE3-CB 4.23Å; W313-F380 AromaticContact CE3-CD2 3.5Å; W313-F380 HydrophobicContact CE3-CD2 3.5Å; W313-F380 VanDerWaalsContact CE3-CD2 3.5Å; W313-F380 HydrophobicContact CE3-CE2 4.18Å; W313-F380 HydrophobicContact CE3-CG 4.1Å; W313-F380 HydrophobicContact CG-CD2 4.35Å; W313-F380 HydrophobicContact CH2-CD2 4.45Å; W313-F380 HydrophobicContact CH2-CE2 4.34Å; W313-F380 AromaticContact CZ3-CD2 3.86Å; W313-F380 HydrophobicContact CZ3-CD2 3.86Å; W313-F380 HydrophobicContact CZ3-CE2 4.12Å; W313-F380 PolarHBondContact N-O 3.24Å; W313-F380 PolarHBondContact O-N 3.25Å; N315-F380 HydrophobicContact CB-CE2 4.32Å; I343-F380 HydrophobicContact CD1-CE1 4.5Å; I343-F380 HydrophobicContact CD1-CE2 4.31Å; I343-F380 HydrophobicContact CD1-CZ 4.05Å; I343-F380 HydrophobicContact CG2-CD1 3.89Å; I343-F380 HydrophobicContact CG2-CE1 4.03Å; I343-F380 HydrophobicContact CG2-CG 4.29Å; F348-F380 HydrophobicContact CB-CB 4.24Å; F348-F380 HydrophobicContact CD1-CB 3.94Å; F348-F380 HydrophobicContact CG-CB 4.28Å; E349-F380 CarbonylContact O-C 3.59Å; E349-F380 VanDerWaalsContact O-CA 3.26Å; E349-F380 WeakPolarHBondContact O-CA 3.41Å; I350-F380 HydrophobicContact CB-CD1 4.36Å; I350-F380 HydrophobicContact CB-CE1 4.49Å; I350-F380 HydrophobicContact CD1-CE1 4.27Å; I350-F380 HydrophobicContact CG1-CD1 3.95Å; I350-F380 HydrophobicContact CG1-CE1 3.95Å; I350-F380 HydrophobicContact CG2-CD1 4.37Å; I350-F380 HydrophobicContact CG2-CE1 4.18Å
381R98.8Very high81.6Confident62 Ų6262.1 Ų62.123%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-130.1133.2178-170.9-172.3-175.5-161.12111.2G310 G311 Y312 E349 V351G310-R381 PolarHBondContact O-NE 3.07Å; G311-R381 WeakPolarHBondContact O-CA 3.42Å; Y312-R381 HydrophobicContact CD1-CB 3.84Å; Y312-R381 HydrophobicContact CD1-CG 3.91Å; Y312-R381 HydrophobicContact CE1-CB 3.78Å; Y312-R381 HydrophobicContact CE1-CG 3.6Å; E349-R381 HydrophobicContact CB-CB 4.31Å; E349-R381 PolarHBondContact N-O 2.79Å; E349-R381 PolarHBondContact O-N 2.56Å; V351-R381 HydrophobicContact CG2-CB 3.81Å
382K98.6Very high79.2Confident6 Ų657.8 Ų57.83%0.02633%0.328CS..  trans-74.8126.8167.1-176.1172.4176.6-1790108.4N279 W304 L307 G310 G311 F348N279-K382 PolarHBondContact OD1-NZ 3.49Å; W304-K382 HydrophobicContact CD2-CD 4.47Å; W304-K382 HydrophobicContact CE3-CD 4.41Å; W304-K382 HydrophobicContact CE3-CG 4.16Å; W304-K382 HydrophobicContact CH2-CG 4.19Å; W304-K382 HydrophobicContact CZ3-CG 3.93Å; W304-K382 WeakPolarHBondContact O-CE 3.46Å; W304-K382 PolarHBondContact O-NZ 2.7Å; L307-K382 HydrophobicContact CB-CB 4.44Å; L307-K382 HydrophobicContact CB-CD 3.91Å; L307-K382 WeakPolarHBondContact O-CD 3.43Å; L307-K382 PolarHBondContact O-NZ 3.48Å; G310-K382 WeakPolarHBondContact CA-O 3.46Å; G310-K382 PolarHBondContact N-O 3.41Å; G311-K382 PolarHBondContact O-N 2.97Å; F348-K382 HydrophobicContact CE1-CB 4.12Å
383P97.9Very high76.6Confident23 Ų2359.8 Ų59.815%0.14934%0.335CS..  trans-56.5151.1-179.1-26.234000113.3G310 G347 E349G310-P383 PolarHBondContact N-O 3.26Å; G347-P383 VanDerWaalsContact O-CD 3.24Å; G347-P383 WeakPolarHBondContact O-CD 3.32Å; G347-P383 VanDerWaalsContact O-CG 3.22Å; G347-P383 WeakPolarHBondContact O-CG 3.34Å; E349-P383 HydrophobicContact CG-CG 4.3Å
384L92.7Very high73.9Confident116 Ų11659.9 Ų59.961%0.60735%0.349SS*.SBendtrans-66.5-37.7178-78.3167.4000112.7P309P309-L384 WeakPolarHBondContact CB-O 3.35Å
385T76.3Confident71.4Confident106 Ų10659.3 Ų59.365%0.6535%0.349SS*.SBendtrans-106.8102.6173.936.10000108.2T387T385-T387 PolarHBondContact O-N 3.41Å
386T61.5Low68.9Low66 Ų6663.4 Ų63.441%0.40537%0.374SS..  trans-70.877.1161.141.20000107.9W304 I388W304-T386 HydrophobicContact CH2-CG2 4.35Å; W304-T386 HydrophobicContact CZ2-CG2 3.87Å; T386-I388 PolarHBondContact O-N 2.82Å
387T46.2Very low66.3Low121 Ų12167.3 Ų67.374%0.74240%0.398SS*.  trans-67.892.1162.144.60000106.5T385 S389T385-T387 PolarHBondContact O-N 3.41Å; T387-S389 PolarHBondContact O-N 3.06Å
388I42.9Very low63.6Low101 Ų10174.5 Ų74.552%0.51843%0.429SS..  trans-61.8107163.4-60172.8000104.8T386 E393T386-I388 PolarHBondContact O-N 2.82Å; I388-E393 HydrophobicContact CG2-CB 4.49Å
389S36.8Very low60.9Low61 Ų6179.7 Ų79.743%0.42746%0.456SS..  trans-57.2128.4164.948.10000107.4T387 T391 T392T387-S389 PolarHBondContact O-N 3.06Å; S389-T391 PolarHBondContact O-N 3.3Å; S389-T392 PolarHBondContact O-N 3.13Å; S389-T392 PolarHBondContact O-OG1 3.19Å; S389-T392 PolarHBondContact OG-OG1 3.16Å; S389-T392 VanDerWaalsContact OG-OG1 3.11Å
390P40.6Very low58.2Low117 Ų11785.7 Ų85.776%0.7649%0.486SS*.Hα-helixtrans-60.3-2.6-173.78.7-16.6000115.2
391T45.1Very low55.8Low107 Ų10788.8 Ų88.866%0.65651%0.508SS*.Hα-helixtrans-80.9-20.6172.930.20000114.7S389 T395S389-T391 PolarHBondContact O-N 3.3Å; T391-T395 PolarHBondContact O-OG1 2.79Å; T391-T395 VanDerWaalsContact O-OG1 3.13Å
392T42.5Very low53.2Low66 Ų6690 Ų9041%0.40552%0.522SS..Hα-helixtrans-89.5-30.7-177.43.10000113.4S389 A394 T395 V396S389-T392 PolarHBondContact O-N 3.13Å; S389-T392 PolarHBondContact O-OG1 3.19Å; S389-T392 PolarHBondContact OG-OG1 3.16Å; S389-T392 VanDerWaalsContact OG-OG1 3.11Å; T392-A394 VanDerWaalsContact C-N 3.32Å; T392-A394 PolarHBondContact O-N 2.71Å; T392-T395 PolarHBondContact O-N 3.43Å; T392-V396 WeakPolarHBondContact O-CG2 3.47Å; T392-V396 PolarHBondContact O-N 3.42Å
393E41Very low50.5Low124 Ų12495.7 Ų95.758%0.57955%0.552SS**Hα-helixtrans-61.1-41.9177.2-129.4171.6-169.200111.3I388 T395 T397I388-E393 HydrophobicContact CG2-CB 4.49Å; E393-T395 PolarHBondContact O-N 2.89Å; E393-T397 WeakPolarHBondContact O-CB 3.28Å; E393-T397 PolarHBondContact O-N 3.1Å; E393-T397 VanDerWaalsContact O-N 3.08Å; E393-T397 PolarHBondContact O-OG1 3.25Å
394A42.2Very low47.8Very low68 Ų68101.4 Ų101.456%0.56258%0.582SS**Hα-helixtrans-67.3-21.1175.800000113.9T392 K398T392-A394 VanDerWaalsContact C-N 3.32Å; T392-A394 PolarHBondContact O-N 2.71Å; A394-K398 WeakPolarHBondContact O-CB 3.41Å
395T44Very low45.2Very low80 Ų80100.7 Ų100.749%0.49158%0.582SS.*Hα-helixtrans-90.4-38.6-179.2-49.30000111T391 T392 E393 K398 L399T391-T395 PolarHBondContact O-OG1 2.79Å; T391-T395 VanDerWaalsContact O-OG1 3.13Å; T392-T395 PolarHBondContact O-N 3.43Å; E393-T395 PolarHBondContact O-N 2.89Å; T395-K398 PolarHBondContact O-N 3.07Å; T395-L399 PolarHBondContact O-N 3.42Å
396V45.9Very low43.1Very low86 Ų86101.3 Ų101.352%0.52159%0.586SS.*Hα-helixtrans-69-43.1176.2176.90000111.1T392 K398 L399 M400T392-V396 WeakPolarHBondContact O-CG2 3.47Å; T392-V396 PolarHBondContact O-N 3.42Å; V396-K398 VanDerWaalsContact C-N 3.27Å; V396-K398 PolarHBondContact O-N 2.94Å; V396-L399 PolarHBondContact O-N 3.23Å; V396-M400 WeakPolarHBondContact O-CG 3.24Å; V396-M400 PolarHBondContact O-N 3.39Å; V396-M400 VanDerWaalsContact O-N 3.12Å
397T45Very low41.9Very low97 Ų97104.2 Ų104.260%0.59560%0.604SS**Hα-helixtrans-65.3-32.2175.4-49.10000112E393 S401E393-T397 WeakPolarHBondContact O-CB 3.28Å; E393-T397 PolarHBondContact O-N 3.1Å; E393-T397 VanDerWaalsContact O-N 3.08Å; E393-T397 PolarHBondContact O-OG1 3.25Å; T397-S401 PolarHBondContact O-N 3.4Å; T397-S401 VanDerWaalsContact O-N 3.13Å; T397-S401 PolarHBondContact O-OG 3.05Å
398K42Very low41.4Very low152 Ų152104 Ų10466%0.66160%0.604SS**Hα-helixtrans-76.3-36.6179.5-160.1174.5-166.3-177.80112.7A394 T395 V396 S401 T402A394-K398 WeakPolarHBondContact O-CB 3.41Å; T395-K398 PolarHBondContact O-N 3.07Å; V396-K398 VanDerWaalsContact C-N 3.27Å; V396-K398 PolarHBondContact O-N 2.94Å; K398-S401 PolarHBondContact O-N 3.06Å; K398-S401 PolarHBondContact O-OG 3Å; K398-T402 PolarHBondContact O-N 3.42Å; K398-T402 VanDerWaalsContact O-N 3.14Å; K398-T402 PolarHBondContact O-OG1 2.84Å
399L41Very low40.9Very low109 Ų109104.4 Ų104.457%0.57162%0.616SS**Hα-helixtrans-64.7-44173.2-122.798.3000111.4T395 V396 S401 T402 L403T395-L399 PolarHBondContact O-N 3.42Å; V396-L399 PolarHBondContact O-N 3.23Å; L399-S401 VanDerWaalsContact C-N 3.3Å; L399-S401 PolarHBondContact O-N 3.19Å; L399-T402 PolarHBondContact O-N 2.65Å; L399-T402 VanDerWaalsContact O-N 3.14Å; L399-T402 PolarHBondContact O-OG1 3.04Å; L399-L403 PolarHBondContact O-N 3.4Å; L399-L403 VanDerWaalsContact O-N 3.15Å
400M43.5Very low40.9Very low130 Ų130107.8 Ų107.864%0.6463%0.634SS**Hα-helixtrans-63.7-33.9176.7-70.9-113.8173.500112.6V396V396-M400 WeakPolarHBondContact O-CG 3.24Å; V396-M400 PolarHBondContact O-N 3.39Å; V396-M400 VanDerWaalsContact O-N 3.12Å
401S46.5Very low40.8Very low66 Ų66107.8 Ų107.846%0.46263%0.633SS.*Hα-helixtrans-74.8-23.5174.568.10000114.1T397 K398 L399 T405T397-S401 PolarHBondContact O-N 3.4Å; T397-S401 VanDerWaalsContact O-N 3.13Å; T397-S401 PolarHBondContact O-OG 3.05Å; K398-S401 PolarHBondContact O-N 3.06Å; K398-S401 PolarHBondContact O-OG 3Å; L399-S401 VanDerWaalsContact C-N 3.3Å; L399-S401 PolarHBondContact O-N 3.19Å; S401-T405 WeakPolarHBondContact O-CG2 3.4Å; S401-T405 PolarHBondContact O-OG1 3.16Å
402T45.1Very low40.2Very low88 Ų88110.4 Ų110.454%0.5464%0.642SS.*Hα-helixtrans-83.8-31.7179.25.90000112.4K398 L399 N404 T405K398-T402 PolarHBondContact O-N 3.42Å; K398-T402 VanDerWaalsContact O-N 3.14Å; K398-T402 PolarHBondContact O-OG1 2.84Å; L399-T402 PolarHBondContact O-N 2.65Å; L399-T402 VanDerWaalsContact O-N 3.14Å; L399-T402 PolarHBondContact O-OG1 3.04Å; T402-N404 VanDerWaalsContact C-N 3.34Å; T402-T405 PolarHBondContact O-N 3.44Å; T402-T405 PolarHBondContact O-OG1 3.08Å
403L41.4Very low40.2Very low126 Ų126114.1 Ų114.166%0.6666%0.66SS**Hα-helixtrans-70-28.9175.7-76.6159.1000112.9L399 T405L399-L403 PolarHBondContact O-N 3.4Å; L399-L403 VanDerWaalsContact O-N 3.15Å; L403-T405 VanDerWaalsContact C-N 3.31Å; L403-T405 PolarHBondContact O-N 3.04Å
404N41.5Very low39.8Very low143 Ų143116.7 Ų116.777%0.76567%0.674SS**THydrogen-bonded Turntrans-84.25.2178.7-76.6-13.4000114.9T402T402-N404 VanDerWaalsContact C-N 3.34Å
405T37.5Very low39.6Very low100 Ų100126.5 Ų126.561%0.61371%0.708SS**THydrogen-bonded Turntrans-112.112.6-175.349.60000115.8S401 T402 L403S401-T405 WeakPolarHBondContact O-CG2 3.4Å; S401-T405 PolarHBondContact O-OG1 3.16Å; T402-T405 PolarHBondContact O-N 3.44Å; T402-T405 PolarHBondContact O-OG1 3.08Å; L403-T405 VanDerWaalsContact C-N 3.31Å; L403-T405 PolarHBondContact O-N 3.04Å
406T33.4Very low39.4Very low119 Ų119128.8 Ų128.873%0.7372%0.719SS**  trans-111.973.5174.747.20000111.8
407T36.1Very low39.1Very low128 Ų128131.1 Ų131.179%0.78573%0.729SS**  trans-99.8121.1152.329.80000108.3S409T407-S409 PolarHBondContact O-N 2.96Å
408P35.8Very low38.8Very low115 Ų115132.9 Ų132.975%0.74774%0.737SS**  trans-77.7111.6170.429.6-26.5000108.3T410P408-T410 PolarHBondContact O-N 3.48Å; P408-T410 VanDerWaalsContact O-N 3.16Å
409S31.9Very low38.6Very low110 Ų110131.8 Ų131.877%0.76974%0.741SS**  trans-72.397.2162.358.30000108.7T407T407-S409 PolarHBondContact O-N 2.96Å
410T37.3Very low38.4Very low132 Ų132133.3 Ų133.381%0.8175%0.752SS**  trans-106.492.5157.146.50000107.8P408P408-T410 PolarHBondContact O-N 3.48Å; P408-T410 VanDerWaalsContact O-N 3.16Å
411T37.3Very low38.1Very low118 Ų118133.5 Ų133.572%0.72476%0.76SS**  trans-73.7125.9159.440.70000108.5D413T411-D413 PolarHBondContact O-N 2.89Å
412D34Very low37.5Very low161 Ų161138.3 Ų138.386%0.86178%0.781SS**  trans-49.8128.8158-88.2-39.9000110.1
413D42.3Very low36.9Very low144 Ų144142.2 Ų142.277%0.7780%0.799SS**  trans-142.2107.2154-94.8-33.3000108.4T411T411-D413 PolarHBondContact O-N 2.89Å
414M33.1Very low36.5Very low178 Ų178143.5 Ų143.588%0.87781%0.811SS**  trans31.1111.2143.4-68.1177.442.200119.9
415E38.2Very low36.1Very low274 Ų274143.5 Ų143.5100%1.2882%0.815SS**  -155.30123.7-132.6175.5-16900112.1

Retrieved 415 of 415 residues in 708.9 ms (Link to these results)

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