A0A087XJ36_POEFO Loading...

Parvalbumin

In muscle, parvalbumin is thought to be involved in relaxation after contraction. It binds two calcium ions.

AlphaFold DB , UniProt , Accession A0A087XJ36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 109 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
1M44.5Very low75.7Confident230 Ų23073.1 Ų73.1100%1.13344%0.442SS*.  0129.80-65.6-175.3-176.300106.7
2A55.6Low76.6Confident63 Ų6367.4 Ų67.452%0.52141%0.408SS..  trans-94.1136.1-170.200000111.1S4 S5A2-S4 VanDerWaalsContact CB-OG 3.25Å; A2-S4 WeakPolarHBondContact CB-OG 3.5Å; A2-S4 PolarHBondContact O-N 3.11Å; A2-S5 PolarHBondContact O-N 2.79Å
3M68.8Low77.4Confident7 Ų772.3 Ų72.33%0.03442%0.42CS..G310 helixtrans-49.6-24.7170.3-82.8-116.7-166.600113.5S5 I6 L7 V47 V50 L51 F71M3-S5 PolarHBondContact O-N 3.48Å; M3-S5 VanDerWaalsContact O-N 3.12Å; M3-I6 PolarHBondContact O-N 3.21Å; M3-L7 PolarHBondContact O-N 2.98Å; M3-L7 HydrophobicContact SD-CD1 3.99Å; M3-V47 HydrophobicContact CE-CB 4.18Å; M3-V47 HydrophobicContact CE-CG1 3.54Å; M3-V47 WeakPolarHBondContact CE-O 3.45Å; M3-V47 HydrophobicContact SD-CB 4.23Å; M3-V47 HydrophobicContact SD-CG1 3.81Å; M3-V47 HydrophobicContact SD-CG2 3.98Å; M3-V50 HydrophobicContact CE-CB 3.93Å; M3-V50 HydrophobicContact CE-CG1 3.88Å; M3-V50 HydrophobicContact CG-CB 4.15Å; M3-V50 HydrophobicContact CG-CG1 3.59Å; M3-L51 HydrophobicContact CE-CD1 4.21Å; M3-L51 HydrophobicContact CE-CD2 3.43Å; M3-L51 VanDerWaalsContact CE-CD2 3.43Å; M3-L51 HydrophobicContact CE-CG 3.53Å; M3-F71 HydrophobicContact CE-CD1 3.96Å; M3-F71 HydrophobicContact CE-CE1 3.76Å; M3-F71 HydrophobicContact CE-CE2 4.42Å; M3-F71 HydrophobicContact CE-CG 4.36Å; M3-F71 HydrophobicContact CE-CZ 4Å; M3-F71 HydrophobicContact SD-CD1 3.41Å; M3-F71 WeakPolarHBondContact SD-CD1 3.42Å; M3-F71 HydrophobicContact SD-CE1 3.46Å; M3-F71 WeakPolarHBondContact SD-CE1 3.34Å; M3-F71 HydrophobicContact SD-CG 4.21Å; M3-F71 HydrophobicContact SD-CZ 4.29Å
4S69.9Low78.3Confident80 Ų8075.6 Ų75.656%0.55943%0.427SS*.G310 helixtrans-61.5-13.5174.758.40000115A2 I6 L7A2-S4 VanDerWaalsContact CB-OG 3.25Å; A2-S4 WeakPolarHBondContact CB-OG 3.5Å; A2-S4 PolarHBondContact O-N 3.11Å; S4-I6 VanDerWaalsContact C-N 3.33Å; S4-L7 CarbonylContact C-O 3.31Å; S4-L7 WeakPolarHBondContact CA-O 3.14Å
5S77.4Confident79Confident110 Ų11070.5 Ų70.577%0.76940%0.398SS*.G310 helixtrans-78.8-18.1172-175.30000113.1A2 M3A2-S5 PolarHBondContact O-N 2.79Å; M3-S5 PolarHBondContact O-N 3.48Å; M3-S5 VanDerWaalsContact O-N 3.12Å
6I82.9Confident79.4Confident23 Ų2367.5 Ų67.512%0.11838%0.381CS..THydrogen-bonded Turntrans-111.2-41.2-175.2-59.7162.1000110.1M3 S4 K39 D43 K46 V47M3-I6 PolarHBondContact O-N 3.21Å; S4-I6 VanDerWaalsContact C-N 3.33Å; I6-K39 HydrophobicContact CG2-CD 4.4Å; I6-K39 VanDerWaalsContact O-CE 3.31Å; I6-K39 WeakPolarHBondContact O-CE 3.5Å; I6-K39 PolarHBondContact O-NZ 2.91Å; I6-D43 HydrophobicContact CG2-CB 3.72Å; I6-K46 HydrophobicContact CD1-CB 3.4Å; I6-K46 HydrophobicContact CD1-CD 3.88Å; I6-K46 HydrophobicContact CD1-CG 4.32Å; I6-K46 HydrophobicContact CG1-CD 4.39Å; I6-V47 HydrophobicContact CB-CG2 4.41Å; I6-V47 HydrophobicContact CD1-CG2 3.96Å; I6-V47 HydrophobicContact CG2-CG2 3.98Å
7L84.1Confident79.9Confident4 Ų469.8 Ų69.82%0.02139%0.392CS..SBendtrans-116.4150.6-175.6-56.7172.9000110.3M3 S4 I12 V34 L36 K39 V47 F71M3-L7 PolarHBondContact O-N 2.98Å; M3-L7 HydrophobicContact SD-CD1 3.99Å; S4-L7 CarbonylContact C-O 3.31Å; S4-L7 WeakPolarHBondContact CA-O 3.14Å; L7-I12 HydrophobicContact CB-CD1 3.89Å; L7-I12 HydrophobicContact CB-CG1 4.19Å; L7-I12 HydrophobicContact CD1-CD1 4.39Å; L7-V34 HydrophobicContact CD1-CB 4.44Å; L7-V34 HydrophobicContact CD1-CG2 4.32Å; L7-V34 VanDerWaalsContact CD2-O 3.29Å; L7-V34 WeakPolarHBondContact CD2-O 3.5Å; L7-L36 HydrophobicContact CD1-CD1 4.05Å; L7-L36 HydrophobicContact CD2-CB 4.46Å; L7-L36 HydrophobicContact CD2-CD1 3.6Å; L7-L36 HydrophobicContact CG-CD1 4.25Å; L7-K39 HydrophobicContact CD2-CG 4.39Å; L7-V47 HydrophobicContact CD1-CG2 4.28Å; L7-F71 HydrophobicContact CD1-CD1 3.81Å; L7-F71 HydrophobicContact CD1-CE1 3.64Å
8N86.9Confident80.3Confident82 Ų8269.1 Ų69.144%0.43940%0.396SS..  trans-77.9130.8176.9-169.9-11000109.9D10 D11 I12N8-D10 PolarHBondContact O-N 3.27Å; N8-D10 PolarHBondContact OD1-N 2.68Å; N8-D10 VanDerWaalsContact OD1-N 3.15Å; N8-D11 HydrophobicContact CB-CB 4.23Å; N8-D11 WeakPolarHBondContact CB-OD2 3.49Å; N8-D11 PolarHBondContact O-N 3.17Å; N8-D11 VanDerWaalsContact O-N 3.13Å; N8-I12 WeakPolarHBondContact O-CG1 3.25Å; N8-I12 PolarHBondContact O-N 2.74Å
9A84.9Confident80.5Confident60 Ų6066.2 Ų66.250%0.49638%0.378SS..Hα-helixtrans-59.5-34.4177.500000112.2D11 K13A9-D11 VanDerWaalsContact C-N 3.33Å; A9-D11 PolarHBondContact O-N 2.88Å; A9-K13 WeakPolarHBondContact O-CB 2.99Å; A9-K13 PolarHBondContact O-N 3.03Å
10D88Confident80.5Confident101 Ų10166 Ų6654%0.5439%0.385SS..Hα-helixtrans-65.2-38.4176.9-71.6-36.9000112N8 K13 K14N8-D10 PolarHBondContact O-N 3.27Å; N8-D10 PolarHBondContact OD1-N 2.68Å; N8-D10 VanDerWaalsContact OD1-N 3.15Å; D10-K13 PolarHBondContact O-N 2.91Å; D10-K14 VanDerWaalsContact O-CG 3.29Å; D10-K14 WeakPolarHBondContact O-CG 2.79Å; D10-K14 PolarHBondContact O-N 3.17Å
11D89.6Confident80.6Confident44 Ų4467.6 Ų67.624%0.23540%0.396CS..Hα-helixtrans-76.3-36.7-178.9-65.9-30.9000111.4N8 A9 K13 K14 A15 I33N8-D11 HydrophobicContact CB-CB 4.23Å; N8-D11 WeakPolarHBondContact CB-OD2 3.49Å; N8-D11 PolarHBondContact O-N 3.17Å; N8-D11 VanDerWaalsContact O-N 3.13Å; A9-D11 VanDerWaalsContact C-N 3.33Å; A9-D11 PolarHBondContact O-N 2.88Å; D11-K13 VanDerWaalsContact C-N 3.33Å; D11-K13 PolarHBondContact O-N 2.98Å; D11-K14 PolarHBondContact O-N 3.07Å; D11-K14 IonicContact OD1-NZ 2.92Å; D11-K14 PolarHBondContact OD1-NZ 3.44Å; D11-A15 WeakPolarHBondContact O-CB 3.22Å; D11-A15 PolarHBondContact O-N 2.81Å; D11-I33 WeakPolarHBondContact CB-O 3.13Å
12I86.6Confident82.2Confident5 Ų559.5 Ų59.53%0.02637%0.365CS..Hα-helixtrans-58.2-47.7168.2-64.7168.2000110.2L7 N8 K14 A15 L16 V34 F71 A72L7-I12 HydrophobicContact CB-CD1 3.89Å; L7-I12 HydrophobicContact CB-CG1 4.19Å; L7-I12 HydrophobicContact CD1-CD1 4.39Å; N8-I12 WeakPolarHBondContact O-CG1 3.25Å; N8-I12 PolarHBondContact O-N 2.74Å; I12-K14 PolarHBondContact O-N 2.92Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 3.27Å; I12-L16 HydrophobicContact CG2-CD1 3.97Å; I12-L16 HydrophobicContact CG2-CG 4.4Å; I12-L16 WeakPolarHBondContact O-CG 3.39Å; I12-L16 PolarHBondContact O-N 2.87Å; I12-V34 HydrophobicContact CG1-CB 4.47Å; I12-V34 HydrophobicContact CG1-CG1 4.23Å; I12-F71 HydrophobicContact CG2-CB 3.85Å; I12-A72 HydrophobicContact CG2-CB 3.84Å
13K87.4Confident83.4Confident131 Ų13161 Ų6157%0.5736%0.364SS*.Hα-helixtrans-61.3-46.7179.5-174.7176179.1177.70111.7A9 D10 D11 A15 L16 D17A9-K13 WeakPolarHBondContact O-CB 2.99Å; A9-K13 PolarHBondContact O-N 3.03Å; D10-K13 PolarHBondContact O-N 2.91Å; D11-K13 VanDerWaalsContact C-N 3.33Å; D11-K13 PolarHBondContact O-N 2.98Å; K13-A15 VanDerWaalsContact C-N 3.28Å; K13-A15 PolarHBondContact O-N 3.26Å; K13-L16 PolarHBondContact O-N 2.98Å; K13-D17 PolarHBondContact O-N 3.45Å
14K89.4Confident84.1Confident118 Ų11862.8 Ų62.851%0.51338%0.378SS..Hα-helixtrans-57.8-41.3174.6-73.4171.6-160154.90112.2D10 D11 I12 D17 A18 I33D10-K14 VanDerWaalsContact O-CG 3.29Å; D10-K14 WeakPolarHBondContact O-CG 2.79Å; D10-K14 PolarHBondContact O-N 3.17Å; D11-K14 PolarHBondContact O-N 3.07Å; D11-K14 IonicContact OD1-NZ 2.92Å; D11-K14 PolarHBondContact OD1-NZ 3.44Å; I12-K14 PolarHBondContact O-N 2.92Å; K14-D17 PolarHBondContact O-N 3.15Å; K14-A18 VanDerWaalsContact O-CB 3.3Å; K14-A18 WeakPolarHBondContact O-CB 3.17Å; K14-A18 PolarHBondContact O-N 3.47Å; K14-I33 HydrophobicContact CB-CG2 4.07Å
15A88.9Confident84.9Confident0 Ų060.2 Ų60.20%036%0.356CS..Hα-helixtrans-64.6-44.4178.200000110.8D11 I12 K13 A18 F19 F30 I33 V34D11-A15 WeakPolarHBondContact O-CB 3.22Å; D11-A15 PolarHBondContact O-N 2.81Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 3.27Å; K13-A15 VanDerWaalsContact C-N 3.28Å; K13-A15 PolarHBondContact O-N 3.26Å; A15-A18 PolarHBondContact O-N 3.41Å; A15-F19 WeakPolarHBondContact O-CD2 3.12Å; A15-F19 PolarHBondContact O-N 2.86Å; A15-F19 VanDerWaalsContact O-N 3.08Å; A15-F30 HydrophobicContact CB-CD2 3.53Å; A15-F30 HydrophobicContact CB-CE2 3.56Å; A15-F30 HydrophobicContact CB-CG 4.38Å; A15-F30 HydrophobicContact CB-CZ 4.44Å; A15-I33 HydrophobicContact CB-CB 4.01Å; A15-I33 HydrophobicContact CB-CG2 3.71Å; A15-V34 HydrophobicContact CB-CG1 3.55Å
16L85.4Confident85.4Confident22 Ų2257.4 Ų57.412%0.11533%0.333CS..Hα-helixtrans-63.1-42.7176.2-68.5173000112.5I12 K13 A18 F19 A20 F30 L68 A72I12-L16 HydrophobicContact CG2-CD1 3.97Å; I12-L16 HydrophobicContact CG2-CG 4.4Å; I12-L16 WeakPolarHBondContact O-CG 3.39Å; I12-L16 PolarHBondContact O-N 2.87Å; K13-L16 PolarHBondContact O-N 2.98Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.89Å; L16-F19 CarbonylContact O-C 3.58Å; L16-F19 VanDerWaalsContact O-C 3.31Å; L16-F19 PolarHBondContact O-N 3.01Å; L16-A20 WeakPolarHBondContact O-CA 3.37Å; L16-A20 PolarHBondContact O-N 3.22Å; L16-F30 HydrophobicContact CD2-CE2 4.27Å; L16-L68 HydrophobicContact CD2-CB 3.9Å; L16-L68 HydrophobicContact CD2-CD1 4.16Å; L16-L68 HydrophobicContact CD2-CD2 3.8Å; L16-L68 HydrophobicContact CD2-CG 4.18Å; L16-A72 HydrophobicContact CD1-CB 3.43Å; L16-A72 VanDerWaalsContact CD1-CB 3.43Å
17D87.3Confident85.5Confident107 Ų10757.3 Ų57.357%0.57233%0.332SS*.Hα-helixtrans-63.8-38.2175.8-72-28.8000111.4K13 K14 F19 A20K13-D17 PolarHBondContact O-N 3.45Å; K14-D17 PolarHBondContact O-N 3.15Å; D17-F19 VanDerWaalsContact C-N 3.29Å; D17-F19 PolarHBondContact O-N 2.81Å; D17-A20 PolarHBondContact O-N 3.31Å
18A87.5Confident85.6Confident56 Ų5660.8 Ų60.846%0.46335%0.347SS..Hα-helixtrans-66.1-29.8176.300000113.1K14 A15 L16 I33K14-A18 VanDerWaalsContact O-CB 3.3Å; K14-A18 WeakPolarHBondContact O-CB 3.17Å; K14-A18 PolarHBondContact O-N 3.47Å; A15-A18 PolarHBondContact O-N 3.41Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.89Å; A18-I33 HydrophobicContact CB-CD1 4.23Å
19F84.1Confident85.7Confident14 Ų1462.6 Ų62.66%0.06135%0.351CS..THydrogen-bonded Turntrans-11325.6179.3-54.8-63.6000113.4A15 L16 D17 V21 S24 F25 D26 K29 F30 I33 R76A15-F19 WeakPolarHBondContact O-CD2 3.12Å; A15-F19 PolarHBondContact O-N 2.86Å; A15-F19 VanDerWaalsContact O-N 3.08Å; L16-F19 CarbonylContact O-C 3.58Å; L16-F19 VanDerWaalsContact O-C 3.31Å; L16-F19 PolarHBondContact O-N 3.01Å; D17-F19 VanDerWaalsContact C-N 3.29Å; D17-F19 PolarHBondContact O-N 2.81Å; F19-V21 PolarHBondContact O-N 3.25Å; F19-S24 WeakPolarHBondContact CD1-O 3.29Å; F19-F25 HydrophobicContact CB-CD2 3.9Å; F19-F25 HydrophobicContact CD2-CD2 4.24Å; F19-F25 HydrophobicContact CD2-CE2 4.4Å; F19-F25 HydrophobicContact CG-CD2 4Å; F19-D26 HydrophobicContact CE1-CB 3.73Å; F19-D26 HydrophobicContact CZ-CB 4.09Å; F19-K29 HydrophobicContact CE1-CB 4.48Å; F19-K29 HydrophobicContact CE2-CB 4.45Å; F19-K29 HydrophobicContact CZ-CB 3.61Å; F19-F30 HydrophobicContact CD2-CB 4.2Å; F19-F30 AromaticContact CD2-CD2 3.88Å; F19-F30 HydrophobicContact CD2-CD2 3.88Å; F19-F30 HydrophobicContact CE2-CB 3.77Å; F19-F30 HydrophobicContact CE2-CD2 4.15Å; F19-F30 HydrophobicContact CE2-CG 4.48Å; F19-I33 HydrophobicContact CE2-CD1 4.18Å; F19-I33 HydrophobicContact CZ-CD1 4.45Å; F19-R76 PolarHBondContact O-NE 2.9Å; F19-R76 PolarHBondContact O-NH2 2.91Å
20A79.8Confident85.9Confident62 Ų6259.9 Ų59.951%0.51233%0.328SS..  trans-65.1-20.4178.400000112.8L16 D17L16-A20 WeakPolarHBondContact O-CA 3.37Å; L16-A20 PolarHBondContact O-N 3.22Å; D17-A20 PolarHBondContact O-N 3.31Å
21V83.6Confident85.9Confident101 Ų10155.1 Ų55.161%0.61230%0.302SS*.SBendtrans-82.2134.5179-174.60000110.3F19 S24 R76F19-V21 PolarHBondContact O-N 3.25Å; V21-S24 PolarHBondContact O-N 3.34Å; V21-S24 PolarHBondContact O-OG 3.39Å; V21-R76 PolarHBondContact O-NH2 2.85Å
22A78.8Confident85.9Confident59 Ų5958.9 Ų58.949%0.48832%0.319SS..THydrogen-bonded Turntrans-64.3146.5173.500000111.2S24 T79A22-S24 PolarHBondContact O-N 3.37Å; A22-T79 HydrophobicContact CB-CG2 4.04Å
23D81.1Confident86Confident94 Ų9461.5 Ų61.550%0.50333%0.332SS..THydrogen-bonded Turntrans647.9-173.9-65.6-41.5000115.1T79 K81 E82D23-T79 PolarHBondContact OD1-OG1 2.67Å; D23-K81 IonicContact OD2-NZ 3.17Å; D23-E82 VanDerWaalsContact CA-OE1 3.26Å; D23-E82 WeakPolarHBondContact CA-OE1 3.28Å; D23-E82 VanDerWaalsContact N-CD 3.29Å; D23-E82 PolarHBondContact N-OE1 2.61Å
24S82.3Confident86Confident46 Ų4655.4 Ų55.432%0.32231%0.306SS..  trans-105.1-0.8179.789.20000114.2F19 V21 A22 D26 E82F19-S24 WeakPolarHBondContact CD1-O 3.29Å; V21-S24 PolarHBondContact O-N 3.34Å; V21-S24 PolarHBondContact O-OG 3.39Å; A22-S24 PolarHBondContact O-N 3.37Å; S24-D26 PolarHBondContact O-N 3.29Å; S24-E82 PolarHBondContact N-OE1 3.26Å; S24-E82 VanDerWaalsContact N-OE1 3.13Å
25F86.1Confident85.9Confident25 Ų2550.8 Ų50.811%0.1129%0.291CS..  trans-66125.7-175.3-177.1-104.2000112.4F19 H27 F30 L68 L78 E82 F86F19-F25 HydrophobicContact CB-CD2 3.9Å; F19-F25 HydrophobicContact CD2-CD2 4.24Å; F19-F25 HydrophobicContact CD2-CE2 4.4Å; F19-F25 HydrophobicContact CG-CD2 4Å; F25-H27 HydrophobicContact CE1-CB 4.07Å; F25-H27 HydrophobicContact CZ-CB 4.49Å; F25-F30 HydrophobicContact CE2-CB 3.94Å; F25-F30 AromaticContact CE2-CD2 3.76Å; F25-F30 HydrophobicContact CE2-CD2 3.76Å; F25-F30 HydrophobicContact CE2-CE2 4.44Å; F25-F30 AromaticContact CE2-CG 3.83Å; F25-F30 HydrophobicContact CE2-CG 3.83Å; F25-F30 HydrophobicContact CZ-CB 4.12Å; F25-F30 HydrophobicContact CZ-CD1 4.49Å; F25-F30 HydrophobicContact CZ-CD2 4.45Å; F25-F30 HydrophobicContact CZ-CG 4.1Å; F25-L68 HydrophobicContact CD2-CD1 4.4Å; F25-L68 HydrophobicContact CD2-CD2 4.18Å; F25-L68 HydrophobicContact CE2-CD2 3.53Å; F25-L68 HydrophobicContact CE2-CG 4.44Å; F25-L68 HydrophobicContact CZ-CD2 4.11Å; F25-L78 HydrophobicContact CB-CD2 3.77Å; F25-L78 HydrophobicContact CD1-CD1 3.95Å; F25-L78 HydrophobicContact CD1-CD2 3.79Å; F25-L78 HydrophobicContact CD2-CD2 3.93Å; F25-L78 HydrophobicContact CE1-CD1 4.04Å; F25-L78 HydrophobicContact CE1-CD2 4.4Å; F25-L78 HydrophobicContact CG-CD2 3.52Å; F25-E82 HydrophobicContact CB-CB 4.43Å; F25-E82 HydrophobicContact CB-CG 4.12Å; F25-E82 VanDerWaalsContact CB-OE1 3.23Å; F25-E82 WeakPolarHBondContact CB-OE1 3.26Å; F25-E82 PolarHBondContact N-OE1 3.48Å; F25-F86 HydrophobicContact CD1-CD1 4.26Å; F25-F86 AromaticContact CE1-CD1 3.48Å; F25-F86 HydrophobicContact CE1-CD1 3.48Å; F25-F86 VanDerWaalsContact CE1-CD1 3.48Å; F25-F86 AromaticContact CE1-CE1 3.71Å; F25-F86 HydrophobicContact CE1-CE1 3.71Å; F25-F86 HydrophobicContact CE1-CG 4.31Å; F25-F86 HydrophobicContact CZ-CD1 4.37Å; F25-F86 HydrophobicContact CZ-CE1 4.17Å
26D88.4Confident85.8Confident51 Ų5150.8 Ų50.827%0.27329%0.291SS..  trans-124.6107.1177.4-175.3-25.7000109.2F19 S24 K28 K29 F30F19-D26 HydrophobicContact CE1-CB 3.73Å; F19-D26 HydrophobicContact CZ-CB 4.09Å; S24-D26 PolarHBondContact O-N 3.29Å; D26-K28 VanDerWaalsContact C-N 3.25Å; D26-K28 PolarHBondContact O-N 3.35Å; D26-K28 WeakPolarHBondContact OD1-CB 3.34Å; D26-K28 PolarHBondContact OD1-N 3.27Å; D26-K29 HydrophobicContact CB-CB 4.25Å; D26-K29 HydrophobicContact CB-CD 4.48Å; D26-K29 PolarHBondContact O-N 2.76Å; D26-K29 PolarHBondContact OD1-N 3.19Å; D26-F30 VanDerWaalsContact O-CB 3.25Å; D26-F30 WeakPolarHBondContact O-CB 3.4Å; D26-F30 PolarHBondContact O-N 2.88Å
27H85.6Confident85.7Confident22 Ų2253.3 Ų53.310%0.10230%0.301CS..Hα-helixtrans-59.3-34.4-178.256.8-89.5000112.4F25 F30 F31 F86 A89 L106F25-H27 HydrophobicContact CE1-CB 4.07Å; F25-H27 HydrophobicContact CZ-CB 4.49Å; H27-F30 PolarHBondContact O-N 2.95Å; H27-F31 HydrophobicContact CB-CE2 4.11Å; H27-F31 WeakPolarHBondContact O-CD2 3.45Å; H27-F31 VanDerWaalsContact O-CG 3.29Å; H27-F31 WeakPolarHBondContact O-CG 3.48Å; H27-F31 PolarHBondContact O-N 2.8Å; H27-F86 HydrophobicContact CB-CD1 4.42Å; H27-F86 HydrophobicContact CB-CD2 3.93Å; H27-F86 HydrophobicContact CB-CE1 4.26Å; H27-F86 HydrophobicContact CB-CE2 3.9Å; H27-F86 HydrophobicContact CB-CG 4.26Å; H27-F86 HydrophobicContact CB-CZ 4.03Å; H27-A89 VanDerWaalsContact CE1-CB 3.43Å; H27-A89 WeakPolarHBondContact CE1-CB 3.35Å; H27-L106 VanDerWaalsContact CD2-CD1 3.5Å; H27-L106 WeakPolarHBondContact CD2-CD1 3.26Å
28K86.8Confident85.6Confident77 Ų7753 Ų5334%0.33531%0.308SS..Hα-helixtrans-68.7-51-177.6-59.5-171.4176.6-169.90110.8D26 F30 F31 E32 E109D26-K28 VanDerWaalsContact C-N 3.25Å; D26-K28 PolarHBondContact O-N 3.35Å; D26-K28 WeakPolarHBondContact OD1-CB 3.34Å; D26-K28 PolarHBondContact OD1-N 3.27Å; K28-F30 VanDerWaalsContact C-N 3.3Å; K28-F30 PolarHBondContact O-N 2.82Å; K28-F31 PolarHBondContact O-N 2.97Å; K28-E32 WeakPolarHBondContact O-CB 3.5Å; K28-E32 PolarHBondContact O-N 2.98Å; K28-E109 WeakPolarHBondContact CE-OE1 3.45Å; K28-E109 IonicContact NZ-OE1 3.96Å; K28-E109 PolarHBondContact NZ-OE1 2.9Å
29K88.4Confident85.7Confident120 Ų12053.8 Ų53.852%0.52230%0.301SS..Hα-helixtrans-66.3-35.8176.8-74.5-178.7-178.4172.60111.3F19 D26 E32 I33F19-K29 HydrophobicContact CE1-CB 4.48Å; F19-K29 HydrophobicContact CE2-CB 4.45Å; F19-K29 HydrophobicContact CZ-CB 3.61Å; D26-K29 HydrophobicContact CB-CB 4.25Å; D26-K29 HydrophobicContact CB-CD 4.48Å; D26-K29 PolarHBondContact O-N 2.76Å; D26-K29 PolarHBondContact OD1-N 3.19Å; K29-E32 PolarHBondContact O-N 3.46Å; K29-I33 WeakPolarHBondContact O-CB 3.26Å; K29-I33 VanDerWaalsContact O-CG1 3.22Å; K29-I33 WeakPolarHBondContact O-CG1 2.99Å; K29-I33 PolarHBondContact O-N 2.86Å
30F89.2Confident85.9Confident2 Ų255.2 Ų55.21%0.00931%0.313CS..Hα-helixtrans-58.7-53.2174.3-177-91.6000111.1A15 L16 F19 F25 D26 H27 K28 E32 I33 V34 L68 F71A15-F30 HydrophobicContact CB-CD2 3.53Å; A15-F30 HydrophobicContact CB-CE2 3.56Å; A15-F30 HydrophobicContact CB-CG 4.38Å; A15-F30 HydrophobicContact CB-CZ 4.44Å; L16-F30 HydrophobicContact CD2-CE2 4.27Å; F19-F30 HydrophobicContact CD2-CB 4.2Å; F19-F30 AromaticContact CD2-CD2 3.88Å; F19-F30 HydrophobicContact CD2-CD2 3.88Å; F19-F30 HydrophobicContact CE2-CB 3.77Å; F19-F30 HydrophobicContact CE2-CD2 4.15Å; F19-F30 HydrophobicContact CE2-CG 4.48Å; F25-F30 HydrophobicContact CE2-CB 3.94Å; F25-F30 AromaticContact CE2-CD2 3.76Å; F25-F30 HydrophobicContact CE2-CD2 3.76Å; F25-F30 HydrophobicContact CE2-CE2 4.44Å; F25-F30 AromaticContact CE2-CG 3.83Å; F25-F30 HydrophobicContact CE2-CG 3.83Å; F25-F30 HydrophobicContact CZ-CB 4.12Å; F25-F30 HydrophobicContact CZ-CD1 4.49Å; F25-F30 HydrophobicContact CZ-CD2 4.45Å; F25-F30 HydrophobicContact CZ-CG 4.1Å; D26-F30 VanDerWaalsContact O-CB 3.25Å; D26-F30 WeakPolarHBondContact O-CB 3.4Å; D26-F30 PolarHBondContact O-N 2.88Å; H27-F30 PolarHBondContact O-N 2.95Å; K28-F30 VanDerWaalsContact C-N 3.3Å; K28-F30 PolarHBondContact O-N 2.82Å; F30-E32 PolarHBondContact O-N 3.44Å; F30-I33 PolarHBondContact O-N 2.86Å; F30-V34 HydrophobicContact CD1-CG1 4.25Å; F30-V34 HydrophobicContact CD1-CG2 4.5Å; F30-V34 HydrophobicContact CD2-CG1 4.48Å; F30-V34 HydrophobicContact CE1-CG1 3.87Å; F30-V34 HydrophobicContact CE1-CG2 4.38Å; F30-V34 HydrophobicContact CE2-CG1 4.14Å; F30-V34 HydrophobicContact CZ-CG1 3.82Å; F30-V34 WeakPolarHBondContact O-CG1 3.46Å; F30-V34 WeakPolarHBondContact O-CG2 3.35Å; F30-V34 PolarHBondContact O-N 3.27Å; F30-L68 HydrophobicContact CD2-CD2 4.28Å; F30-L68 HydrophobicContact CE2-CD2 3.75Å; F30-L68 HydrophobicContact CZ-CD2 4Å; F30-F71 HydrophobicContact CE1-CD1 4.15Å; F30-F71 AromaticContact CE1-CD2 3.73Å; F30-F71 HydrophobicContact CE1-CD2 3.73Å; F30-F71 HydrophobicContact CE1-CE1 4.09Å; F30-F71 AromaticContact CE1-CE2 3.66Å; F30-F71 HydrophobicContact CE1-CE2 3.66Å; F30-F71 AromaticContact CE1-CG 4Å; F30-F71 HydrophobicContact CE1-CG 4Å; F30-F71 AromaticContact CE1-CZ 3.87Å; F30-F71 HydrophobicContact CE1-CZ 3.87Å; F30-F71 HydrophobicContact CZ-CB 4.2Å; F30-F71 HydrophobicContact CZ-CD1 4.25Å; F30-F71 AromaticContact CZ-CD2 3.75Å; F30-F71 HydrophobicContact CZ-CD2 3.75Å; F30-F71 HydrophobicContact CZ-CE2 4.18Å; F30-F71 AromaticContact CZ-CG 3.81Å; F30-F71 HydrophobicContact CZ-CG 3.81Å
31F88.4Confident86.2Confident2 Ų256.1 Ų56.11%0.00931%0.313CS..Hα-helixtrans-63.5-30178.6-65.1-40.6000113.8H27 K28 G35 L36 K37 F71 F86 F103 L106 V107H27-F31 HydrophobicContact CB-CE2 4.11Å; H27-F31 WeakPolarHBondContact O-CD2 3.45Å; H27-F31 VanDerWaalsContact O-CG 3.29Å; H27-F31 WeakPolarHBondContact O-CG 3.48Å; H27-F31 PolarHBondContact O-N 2.8Å; K28-F31 PolarHBondContact O-N 2.97Å; F31-G35 PolarHBondContact O-N 3.02Å; F31-L36 HydrophobicContact CB-CB 4.25Å; F31-L36 HydrophobicContact CD1-CB 4.29Å; F31-L36 HydrophobicContact CD1-CD2 3.57Å; F31-L36 HydrophobicContact CE1-CD2 3.88Å; F31-L36 HydrophobicContact CG-CD2 4.3Å; F31-L36 PolarHBondContact O-N 3.21Å; F31-K37 PolarHBondContact O-N 3.26Å; F31-F71 HydrophobicContact CE1-CZ 4.2Å; F31-F86 HydrophobicContact CE2-CZ 4.33Å; F31-F86 AromaticContact CZ-CZ 3.95Å; F31-F86 HydrophobicContact CZ-CZ 3.95Å; F31-F103 HydrophobicContact CE1-CE2 4.04Å; F31-F103 AromaticContact CE1-CZ 3.97Å; F31-F103 HydrophobicContact CE1-CZ 3.97Å; F31-F103 HydrophobicContact CZ-CD2 4.47Å; F31-F103 AromaticContact CZ-CE2 3.61Å; F31-F103 HydrophobicContact CZ-CE2 3.61Å; F31-F103 AromaticContact CZ-CZ 3.98Å; F31-F103 HydrophobicContact CZ-CZ 3.98Å; F31-L106 HydrophobicContact CE2-CD2 3.72Å; F31-L106 HydrophobicContact CE2-CG 4.13Å; F31-L106 HydrophobicContact CZ-CD2 4.49Å; F31-V107 HydrophobicContact CD1-CG2 4.27Å; F31-V107 HydrophobicContact CD2-CG2 3.91Å; F31-V107 HydrophobicContact CE1-CG2 4.39Å; F31-V107 HydrophobicContact CE2-CG2 4.03Å; F31-V107 HydrophobicContact CG-CG2 4.05Å; F31-V107 HydrophobicContact CZ-CG2 4.27Å
32E88.8Confident86.4Confident123 Ų12356.6 Ų56.658%0.57531%0.312SS*.Hα-helixtrans-68.7-49.4172.9-168.9174.8162.100111.9K28 K29 F30 G35 K37K28-E32 WeakPolarHBondContact O-CB 3.5Å; K28-E32 PolarHBondContact O-N 2.98Å; K29-E32 PolarHBondContact O-N 3.46Å; F30-E32 PolarHBondContact O-N 3.44Å; E32-G35 PolarHBondContact O-N 3.42Å; E32-G35 VanDerWaalsContact O-N 3.08Å; E32-K37 HydrophobicContact CB-CD 4.2Å; E32-K37 HydrophobicContact CG-CD 4.4Å
33I89Confident86.9Confident60 Ų6055.7 Ų55.731%0.30830%0.299SS..Hα-helixtrans-63.5-46.7-179.5-66.4165.6000110.6D11 K14 A15 A18 F19 K29 F30 G35D11-I33 WeakPolarHBondContact CB-O 3.13Å; K14-I33 HydrophobicContact CB-CG2 4.07Å; A15-I33 HydrophobicContact CB-CB 4.01Å; A15-I33 HydrophobicContact CB-CG2 3.71Å; A18-I33 HydrophobicContact CB-CD1 4.23Å; F19-I33 HydrophobicContact CE2-CD1 4.18Å; F19-I33 HydrophobicContact CZ-CD1 4.45Å; K29-I33 WeakPolarHBondContact O-CB 3.26Å; K29-I33 VanDerWaalsContact O-CG1 3.22Å; K29-I33 WeakPolarHBondContact O-CG1 2.99Å; K29-I33 PolarHBondContact O-N 2.86Å; F30-I33 PolarHBondContact O-N 2.86Å; I33-G35 PolarHBondContact O-N 2.83Å
34V87.6Confident87.3Confident3 Ų351.3 Ų51.32%0.01828%0.276CS..THydrogen-bonded Turntrans-71-8.6178.4-51.90000112.7L7 I12 A15 F30 L36L7-V34 HydrophobicContact CD1-CB 4.44Å; L7-V34 HydrophobicContact CD1-CG2 4.32Å; L7-V34 VanDerWaalsContact CD2-O 3.29Å; L7-V34 WeakPolarHBondContact CD2-O 3.5Å; I12-V34 HydrophobicContact CG1-CB 4.47Å; I12-V34 HydrophobicContact CG1-CG1 4.23Å; A15-V34 HydrophobicContact CB-CG1 3.55Å; F30-V34 HydrophobicContact CD1-CG1 4.25Å; F30-V34 HydrophobicContact CD1-CG2 4.5Å; F30-V34 HydrophobicContact CD2-CG1 4.48Å; F30-V34 HydrophobicContact CE1-CG1 3.87Å; F30-V34 HydrophobicContact CE1-CG2 4.38Å; F30-V34 HydrophobicContact CE2-CG1 4.14Å; F30-V34 HydrophobicContact CZ-CG1 3.82Å; F30-V34 WeakPolarHBondContact O-CG1 3.46Å; F30-V34 WeakPolarHBondContact O-CG2 3.35Å; F30-V34 PolarHBondContact O-N 3.27Å; V34-L36 HydrophobicContact CG2-CB 3.9Å
35G86.8Confident87.6Confident20 Ų2054.6 Ų54.621%0.20628%0.284CS..THydrogen-bonded Turntrans79.812.4175.900000114.8F31 E32 I33 K37 S38 K39F31-G35 PolarHBondContact O-N 3.02Å; E32-G35 PolarHBondContact O-N 3.42Å; E32-G35 VanDerWaalsContact O-N 3.08Å; I33-G35 PolarHBondContact O-N 2.83Å; G35-K37 PolarHBondContact O-N 3.02Å; G35-S38 PolarHBondContact O-N 3Å; G35-S38 PolarHBondContact O-OG 3.13Å; G35-K39 WeakPolarHBondContact O-CG 3.24Å
36L86.1Confident87.8Confident0 Ų058.6 Ų58.60%030%0.302CS..G310 helixtrans-63.5-31.9-178.9-153.370.6000111.9L7 F31 V34 S38 K39 V44 V47 F103 V107L7-L36 HydrophobicContact CD1-CD1 4.05Å; L7-L36 HydrophobicContact CD2-CB 4.46Å; L7-L36 HydrophobicContact CD2-CD1 3.6Å; L7-L36 HydrophobicContact CG-CD1 4.25Å; F31-L36 HydrophobicContact CB-CB 4.25Å; F31-L36 HydrophobicContact CD1-CB 4.29Å; F31-L36 HydrophobicContact CD1-CD2 3.57Å; F31-L36 HydrophobicContact CE1-CD2 3.88Å; F31-L36 HydrophobicContact CG-CD2 4.3Å; F31-L36 PolarHBondContact O-N 3.21Å; V34-L36 HydrophobicContact CG2-CB 3.9Å; L36-S38 PolarHBondContact O-N 3.02Å; L36-S38 VanDerWaalsContact O-N 3.14Å; L36-K39 HydrophobicContact CD1-CG 4.43Å; L36-K39 WeakPolarHBondContact O-CB 3.43Å; L36-K39 PolarHBondContact O-N 3.2Å; L36-V44 HydrophobicContact CG-CG2 4.43Å; L36-V47 HydrophobicContact CD1-CB 4.08Å; L36-V47 HydrophobicContact CD1-CG1 3.98Å; L36-V47 HydrophobicContact CD1-CG2 3.55Å; L36-V47 HydrophobicContact CD2-CG1 3.97Å; L36-F103 HydrophobicContact CD2-CE1 3.99Å; L36-F103 HydrophobicContact CD2-CZ 3.9Å; L36-V107 HydrophobicContact CB-CG1 3.98Å; L36-V107 HydrophobicContact CD2-CB 4.46Å; L36-V107 HydrophobicContact CD2-CG1 4.01Å; L36-V107 HydrophobicContact CD2-CG2 3.51Å; L36-V107 HydrophobicContact CG-CG1 3.83Å; L36-V107 HydrophobicContact CG-CG2 4.25Å; L36-V107 WeakPolarHBondContact O-CG1 3.43Å
37K84.8Confident87.8Confident75 Ų7556.1 Ų56.133%0.32629%0.289SS..G310 helixtrans-51.1-35175.1-101.1-176.6175-169.90114.4F31 E32 G35 V107 E109F31-K37 PolarHBondContact O-N 3.26Å; E32-K37 HydrophobicContact CB-CD 4.2Å; E32-K37 HydrophobicContact CG-CD 4.4Å; G35-K37 PolarHBondContact O-N 3.02Å; K37-V107 WeakPolarHBondContact CE-O 3.41Å; K37-V107 WeakPolarHBondContact CG-O 2.96Å; K37-E109 WeakPolarHBondContact CE-OXT 3.36Å; K37-E109 PolarHBondContact NZ-OXT 3.15Å
38S85.8Confident87.9Confident102 Ų10255.4 Ų55.471%0.71329%0.285SS*.G310 helixtrans-941.2-177.965.50000114.2G35 L36G35-S38 PolarHBondContact O-N 3Å; G35-S38 PolarHBondContact O-OG 3.13Å; L36-S38 PolarHBondContact O-N 3.02Å; L36-S38 VanDerWaalsContact O-N 3.14Å
39K88Confident88Confident71 Ų7154.7 Ų54.731%0.30929%0.287SS..SBendtrans-84.9158.5-175.4-62.6-67.8169.7169.90112.2I6 L7 G35 L36 D43 V44I6-K39 HydrophobicContact CG2-CD 4.4Å; I6-K39 VanDerWaalsContact O-CE 3.31Å; I6-K39 WeakPolarHBondContact O-CE 3.5Å; I6-K39 PolarHBondContact O-NZ 2.91Å; L7-K39 HydrophobicContact CD2-CG 4.39Å; G35-K39 WeakPolarHBondContact O-CG 3.24Å; L36-K39 HydrophobicContact CD1-CG 4.43Å; L36-K39 WeakPolarHBondContact O-CB 3.43Å; L36-K39 PolarHBondContact O-N 3.2Å; K39-D43 HydrophobicContact CB-CB 3.93Å; K39-V44 HydrophobicContact CB-CG2 4.41Å
40S88.9Confident87.9Confident45 Ų4551.6 Ų51.632%0.31528%0.278SS..  trans-67.8154.8175.768.30000110.9D42 D43 V44S40-D42 PolarHBondContact O-N 2.86Å; S40-D43 PolarHBondContact O-N 2.87Å; S40-D43 WeakPolarHBondContact OG-CB 2.9Å; S40-D43 PolarHBondContact OG-N 3.42Å; S40-D43 PolarHBondContact OG-OD2 2.78Å; S40-V44 WeakPolarHBondContact O-CG2 3.49Å; S40-V44 PolarHBondContact O-N 3.03Å
41P85.9Confident87.8Confident81 Ų8152 Ų5253%0.52628%0.281SS..Hα-helixtrans-54.5-35.3173.5-24.334000112.8V44 K45P41-V44 PolarHBondContact O-N 3.43Å; P41-K45 WeakPolarHBondContact O-CB 3.48Å; P41-K45 PolarHBondContact O-N 3.46Å
42D88.5Confident87.8Confident111 Ų11152.2 Ų52.259%0.59428%0.282SS*.Hα-helixtrans-64.1-39.2175.4-64.9-79.8000112.6S40 K45 K46S40-D42 PolarHBondContact O-N 2.86Å; D42-K45 WeakPolarHBondContact O-CB 3.22Å; D42-K45 PolarHBondContact O-N 2.96Å; D42-K46 WeakPolarHBondContact O-CG 3.31Å; D42-K46 PolarHBondContact O-N 3.3Å
43D89.5Confident87.5Confident39 Ų3950.1 Ų50.121%0.20929%0.286CS..Hα-helixtrans-72.4-39.3177-69.8-34.8000111.8I6 K39 S40 K45 K46 V47I6-D43 HydrophobicContact CG2-CB 3.72Å; K39-D43 HydrophobicContact CB-CB 3.93Å; S40-D43 PolarHBondContact O-N 2.87Å; S40-D43 WeakPolarHBondContact OG-CB 2.9Å; S40-D43 PolarHBondContact OG-N 3.42Å; S40-D43 PolarHBondContact OG-OD2 2.78Å; D43-K45 VanDerWaalsContact C-N 3.28Å; D43-K45 PolarHBondContact O-N 2.86Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-K46 IonicContact OD1-NZ 3.92Å; D43-K46 PolarHBondContact OD1-NZ 3.35Å; D43-V47 VanDerWaalsContact O-CG2 3.29Å; D43-V47 WeakPolarHBondContact O-CG2 3.49Å; D43-V47 PolarHBondContact O-N 3.23Å
44V89.2Confident87.4Confident3 Ų351.7 Ų51.72%0.01830%0.295CS..Hα-helixtrans-59.6-42.4171.4174.90000110.3L36 K39 S40 P41 V47 F48 F103 A104 V107L36-V44 HydrophobicContact CG-CG2 4.43Å; K39-V44 HydrophobicContact CB-CG2 4.41Å; S40-V44 WeakPolarHBondContact O-CG2 3.49Å; S40-V44 PolarHBondContact O-N 3.03Å; P41-V44 PolarHBondContact O-N 3.43Å; V44-V47 WeakPolarHBondContact O-CB 3.31Å; V44-V47 PolarHBondContact O-N 2.98Å; V44-F48 WeakPolarHBondContact O-CB 3.27Å; V44-F48 PolarHBondContact O-N 3.29Å; V44-F103 HydrophobicContact CG1-CD1 3.61Å; V44-F103 HydrophobicContact CG1-CE1 3.77Å; V44-A104 HydrophobicContact CG1-CB 4.2Å; V44-V107 HydrophobicContact CG1-CG2 4.45Å; V44-V107 HydrophobicContact CG2-CG1 4.21Å
45K89Confident87.3Confident115 Ų11556.7 Ų56.750%0.532%0.321SS..Hα-helixtrans-61.1-44.9174.9178.7159.2-168.1175.70112.4P41 D42 D43 V47 F48 T49 I100P41-K45 WeakPolarHBondContact O-CB 3.48Å; P41-K45 PolarHBondContact O-N 3.46Å; D42-K45 WeakPolarHBondContact O-CB 3.22Å; D42-K45 PolarHBondContact O-N 2.96Å; D43-K45 VanDerWaalsContact C-N 3.28Å; D43-K45 PolarHBondContact O-N 2.86Å; K45-V47 VanDerWaalsContact C-N 3.33Å; K45-V47 PolarHBondContact O-N 3.45Å; K45-F48 WeakPolarHBondContact O-CB 3.21Å; K45-F48 PolarHBondContact O-N 3.14Å; K45-T49 PolarHBondContact O-N 3.03Å; K45-T49 PolarHBondContact O-OG1 3Å; K45-I100 HydrophobicContact CB-CD1 3.74Å; K45-I100 HydrophobicContact CD-CD1 3.5Å; K45-I100 VanDerWaalsContact CD-CD1 3.5Å; K45-I100 HydrophobicContact CG-CD1 3.38Å
46K88.8Confident87.4Confident108 Ų10858.1 Ų58.147%0.4733%0.328SS..Hα-helixtrans-63.3-39.9176-69.4168.5-161156.50112I6 D42 D43 T49 V50I6-K46 HydrophobicContact CD1-CB 3.4Å; I6-K46 HydrophobicContact CD1-CD 3.88Å; I6-K46 HydrophobicContact CD1-CG 4.32Å; I6-K46 HydrophobicContact CG1-CD 4.39Å; D42-K46 WeakPolarHBondContact O-CG 3.31Å; D42-K46 PolarHBondContact O-N 3.3Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-K46 IonicContact OD1-NZ 3.92Å; D43-K46 PolarHBondContact OD1-NZ 3.35Å; K46-T49 PolarHBondContact O-N 3.34Å; K46-V50 WeakPolarHBondContact O-CG2 3.48Å; K46-V50 PolarHBondContact O-N 2.89Å; K46-V50 VanDerWaalsContact O-N 3.13Å
47V88.3Confident87.5Confident0 Ų059.7 Ų59.70%034%0.344CS..Hα-helixtrans-61.2-48.6174.6165.60000109.7M3 I6 L7 L36 D43 V44 K45 T49 V50 L51 F71 F103M3-V47 HydrophobicContact CE-CB 4.18Å; M3-V47 HydrophobicContact CE-CG1 3.54Å; M3-V47 WeakPolarHBondContact CE-O 3.45Å; M3-V47 HydrophobicContact SD-CB 4.23Å; M3-V47 HydrophobicContact SD-CG1 3.81Å; M3-V47 HydrophobicContact SD-CG2 3.98Å; I6-V47 HydrophobicContact CB-CG2 4.41Å; I6-V47 HydrophobicContact CD1-CG2 3.96Å; I6-V47 HydrophobicContact CG2-CG2 3.98Å; L7-V47 HydrophobicContact CD1-CG2 4.28Å; L36-V47 HydrophobicContact CD1-CB 4.08Å; L36-V47 HydrophobicContact CD1-CG1 3.98Å; L36-V47 HydrophobicContact CD1-CG2 3.55Å; L36-V47 HydrophobicContact CD2-CG1 3.97Å; D43-V47 VanDerWaalsContact O-CG2 3.29Å; D43-V47 WeakPolarHBondContact O-CG2 3.49Å; D43-V47 PolarHBondContact O-N 3.23Å; V44-V47 WeakPolarHBondContact O-CB 3.31Å; V44-V47 PolarHBondContact O-N 2.98Å; K45-V47 VanDerWaalsContact C-N 3.33Å; K45-V47 PolarHBondContact O-N 3.45Å; V47-T49 PolarHBondContact O-N 2.9Å; V47-V50 PolarHBondContact O-N 3.41Å; V47-L51 HydrophobicContact CG1-CD1 4.24Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 3.49Å; V47-L51 VanDerWaalsContact O-N 3.1Å; V47-F71 HydrophobicContact CG1-CE1 3.89Å; V47-F71 HydrophobicContact CG1-CZ 3.91Å; V47-F103 HydrophobicContact CG1-CE1 4.13Å; V47-F103 HydrophobicContact CG1-CZ 4.03Å
48F89.1Confident87.8Confident6 Ų659.5 Ų59.53%0.02634%0.344CS..Hα-helixtrans-54.6-49.9175.3-179.6-87.5000112.1V44 K45 V50 L51 D52 G57 I59 I98 I100 F103V44-F48 WeakPolarHBondContact O-CB 3.27Å; V44-F48 PolarHBondContact O-N 3.29Å; K45-F48 WeakPolarHBondContact O-CB 3.21Å; K45-F48 PolarHBondContact O-N 3.14Å; F48-V50 PolarHBondContact O-N 3.27Å; F48-V50 VanDerWaalsContact O-N 3.16Å; F48-L51 WeakPolarHBondContact O-CA 3.41Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.04Å; F48-D52 HydrophobicContact CD1-CB 4.49Å; F48-D52 HydrophobicContact CE1-CB 4.25Å; F48-D52 WeakPolarHBondContact O-CB 3.33Å; F48-D52 PolarHBondContact O-N 3.48Å; F48-G57 WeakPolarHBondContact CE1-O 3.04Å; F48-G57 WeakPolarHBondContact CZ-O 3.39Å; F48-I59 HydrophobicContact CD2-CD1 3.55Å; F48-I59 HydrophobicContact CD2-CG1 4.02Å; F48-I59 HydrophobicContact CE2-CD1 3.57Å; F48-I59 HydrophobicContact CE2-CG1 3.58Å; F48-I59 HydrophobicContact CG-CD1 4.46Å; F48-I59 HydrophobicContact CZ-CD1 4.46Å; F48-I59 HydrophobicContact CZ-CG1 4.03Å; F48-I98 WeakPolarHBondContact CE2-O 3.49Å; F48-I100 HydrophobicContact CD1-CB 4.3Å; F48-I100 HydrophobicContact CD1-CG1 4.39Å; F48-I100 HydrophobicContact CE1-CB 4.24Å; F48-I100 HydrophobicContact CE2-CB 4.48Å; F48-I100 HydrophobicContact CG-CB 4.46Å; F48-I100 HydrophobicContact CG-CG1 4.34Å; F48-I100 HydrophobicContact CZ-CB 4.32Å; F48-F103 HydrophobicContact CB-CD1 4.09Å; F48-F103 HydrophobicContact CB-CE1 4.32Å; F48-F103 HydrophobicContact CD2-CB 3.73Å; F48-F103 HydrophobicContact CD2-CD1 4.02Å; F48-F103 HydrophobicContact CD2-CD2 4.36Å; F48-F103 AromaticContact CD2-CG 3.79Å; F48-F103 HydrophobicContact CD2-CG 3.79Å; F48-F103 HydrophobicContact CE2-CB 4.12Å
49T88.1Confident88.1Confident62 Ų6254.7 Ų54.738%0.3831%0.31SS..Hα-helixtrans-63.5-20.9177.7-54.30000113.9K45 K46 V47K45-T49 PolarHBondContact O-N 3.03Å; K45-T49 PolarHBondContact O-OG1 3Å; K46-T49 PolarHBondContact O-N 3.34Å; V47-T49 PolarHBondContact O-N 2.9Å
50V86.6Confident88.2Confident55 Ų5555.1 Ų55.133%0.33331%0.313SS..Hα-helixtrans-83.7-26173.3172.20000111.6M3 K46 V47 F48M3-V50 HydrophobicContact CE-CB 3.93Å; M3-V50 HydrophobicContact CE-CG1 3.88Å; M3-V50 HydrophobicContact CG-CB 4.15Å; M3-V50 HydrophobicContact CG-CG1 3.59Å; K46-V50 WeakPolarHBondContact O-CG2 3.48Å; K46-V50 PolarHBondContact O-N 2.89Å; K46-V50 VanDerWaalsContact O-N 3.13Å; V47-V50 PolarHBondContact O-N 3.41Å; F48-V50 PolarHBondContact O-N 3.27Å; F48-V50 VanDerWaalsContact O-N 3.16Å
51L86.4Confident88.3Confident11 Ų1156.6 Ų56.66%0.05832%0.315CS..Hα-helixtrans-81.4-39.4175.7-62.8175.4000112.1M3 V47 F48 A53 I59 V67 F71 F103M3-L51 HydrophobicContact CE-CD1 4.21Å; M3-L51 HydrophobicContact CE-CD2 3.43Å; M3-L51 VanDerWaalsContact CE-CD2 3.43Å; M3-L51 HydrophobicContact CE-CG 3.53Å; V47-L51 HydrophobicContact CG1-CD1 4.24Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 3.49Å; V47-L51 VanDerWaalsContact O-N 3.1Å; F48-L51 WeakPolarHBondContact O-CA 3.41Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.04Å; L51-A53 PolarHBondContact O-N 3.48Å; L51-I59 HydrophobicContact CB-CD1 3.88Å; L51-I59 HydrophobicContact CB-CG1 4.38Å; L51-I59 HydrophobicContact CD1-CD1 4.09Å; L51-V67 HydrophobicContact CD1-CG2 3.8Å; L51-V67 HydrophobicContact CD2-CG2 3.74Å; L51-V67 HydrophobicContact CG-CG2 4.26Å; L51-F71 HydrophobicContact CD1-CE2 3.84Å; L51-F71 HydrophobicContact CD1-CZ 3.88Å; L51-F71 HydrophobicContact CD2-CD2 3.99Å; L51-F71 HydrophobicContact CD2-CE2 3.7Å; L51-F71 HydrophobicContact CD2-CZ 4.24Å; L51-F71 HydrophobicContact CG-CE2 4.34Å; L51-F103 HydrophobicContact CD1-CE2 3.95Å; L51-F103 HydrophobicContact CD1-CZ 3.89Å
52D89.5Confident88.4Confident6 Ų659.9 Ų59.93%0.03232%0.323CS..  trans-68.290.9170.8176.65.3000109F48 N55 S56 G57F48-D52 HydrophobicContact CD1-CB 4.49Å; F48-D52 HydrophobicContact CE1-CB 4.25Å; F48-D52 WeakPolarHBondContact O-CB 3.33Å; F48-D52 PolarHBondContact O-N 3.48Å; D52-N55 VanDerWaalsContact CG-CA 3.49Å; D52-N55 WeakPolarHBondContact OD1-CA 3.48Å; D52-N55 PolarHBondContact OD1-N 2.87Å; D52-N55 WeakPolarHBondContact OD2-CA 3.32Å; D52-S56 PolarHBondContact OD1-N 2.94Å; D52-G57 VanDerWaalsContact OD2-CA 3.26Å; D52-G57 WeakPolarHBondContact OD2-CA 3.39Å; D52-G57 PolarHBondContact OD2-N 3.28Å
53A82.8Confident88.4Confident80 Ų8055.8 Ų55.866%0.66130%0.301SS*.SBendtrans-76-34-171.700000111L51 N55 E63L51-A53 PolarHBondContact O-N 3.48Å; A53-N55 PolarHBondContact O-ND2 3.33Å; A53-E63 PolarHBondContact N-OE1 3.29Å
54D86.4Confident88.4Confident92 Ų9254 Ų5449%0.49229%0.291SS..SBendtrans-87.2-8179.179-10.4000113.6S56 E63D54-S56 PolarHBondContact O-N 2.76Å; D54-S56 WeakPolarHBondContact OD1-CB 3.46Å; D54-S56 PolarHBondContact OD1-N 3.06Å; D54-S56 PolarHBondContact OD1-OG 3.09Å; D54-E63 PolarHBondContact N-OE1 2.93Å
55N85.1Confident88.4Confident109 Ų10957 Ų5758%0.58330%0.304SS*.  trans58.333.8-176.9-66-107.1000112.1D52 A53 G57D52-N55 VanDerWaalsContact CG-CA 3.49Å; D52-N55 WeakPolarHBondContact OD1-CA 3.48Å; D52-N55 PolarHBondContact OD1-N 2.87Å; D52-N55 WeakPolarHBondContact OD2-CA 3.32Å; A53-N55 PolarHBondContact O-ND2 3.33Å; N55-G57 PolarHBondContact O-N 3.46Å
56S88.6Confident88.4Confident50 Ų5056.1 Ų56.135%0.3530%0.3SS..SBendtrans-68.7-19.2174.563.50000112.4D52 D54 F58D52-S56 PolarHBondContact OD1-N 2.94Å; D54-S56 PolarHBondContact O-N 2.76Å; D54-S56 WeakPolarHBondContact OD1-CB 3.46Å; D54-S56 PolarHBondContact OD1-N 3.06Å; D54-S56 PolarHBondContact OD1-OG 3.09Å; S56-F58 PolarHBondContact OG-N 3.05Å; S56-F58 PolarHBondContact OG-O 3.28Å
57G88.8Confident88.3Confident33 Ų3351.2 Ų51.234%0.3428%0.279SS..SBendtrans88.25.9-172.200000113.5F48 D52 N55F48-G57 WeakPolarHBondContact CE1-O 3.04Å; F48-G57 WeakPolarHBondContact CZ-O 3.39Å; D52-G57 VanDerWaalsContact OD2-CA 3.26Å; D52-G57 WeakPolarHBondContact OD2-CA 3.39Å; D52-G57 PolarHBondContact OD2-N 3.28Å; N55-G57 PolarHBondContact O-N 3.46Å
58F91.6Very high88.2Confident70 Ų7051.3 Ų51.331%0.30728%0.28SS..EExtended strand (participates in β ladder)trans-138.1147.8180-60-88.8000109.5S56 K97 I98S56-F58 PolarHBondContact OG-N 3.05Å; S56-F58 PolarHBondContact OG-O 3.28Å; F58-K97 HydrophobicContact CB-CB 4.06Å; F58-K97 HydrophobicContact CB-CD 3.64Å; F58-K97 HydrophobicContact CB-CG 4.04Å; F58-K97 HydrophobicContact CD1-CD 3.66Å; F58-K97 HydrophobicContact CD1-CG 3.89Å; F58-K97 HydrophobicContact CD2-CD 4.17Å; F58-K97 HydrophobicContact CE1-CD 4.36Å; F58-K97 HydrophobicContact CG-CD 3.55Å; F58-K97 HydrophobicContact CG-CG 4.14Å; F58-I98 WeakPolarHBondContact CA-O 3.41Å
59I90.8Very high88Confident2 Ų255.1 Ų55.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-95.6113170.2-59.9167.7000108F48 L51 E63 L64 K97 I98 F103F48-I59 HydrophobicContact CD2-CD1 3.55Å; F48-I59 HydrophobicContact CD2-CG1 4.02Å; F48-I59 HydrophobicContact CE2-CD1 3.57Å; F48-I59 HydrophobicContact CE2-CG1 3.58Å; F48-I59 HydrophobicContact CG-CD1 4.46Å; F48-I59 HydrophobicContact CZ-CD1 4.46Å; F48-I59 HydrophobicContact CZ-CG1 4.03Å; L51-I59 HydrophobicContact CB-CD1 3.88Å; L51-I59 HydrophobicContact CB-CG1 4.38Å; L51-I59 HydrophobicContact CD1-CD1 4.09Å; I59-E63 WeakPolarHBondContact CA-OE2 3.45Å; I59-E63 HydrophobicContact CG2-CB 4.08Å; I59-L64 HydrophobicContact CG2-CB 4.08Å; I59-L64 HydrophobicContact CG2-CD1 4.11Å; I59-K97 WeakPolarHBondContact O-CA 3.41Å; I59-I98 HydrophobicContact CB-CB 4.24Å; I59-I98 PolarHBondContact N-O 2.92Å; I59-I98 PolarHBondContact O-N 3.49Å; I59-F103 HydrophobicContact CD1-CD2 4.17Å; I59-F103 HydrophobicContact CD1-CE2 4.4Å
60E90.8Very high87.8Confident79 Ų7953.6 Ų53.637%0.36929%0.293SS..  trans-82.9165.3179.6-59.3-172.5175.100112.1E62 E63 L64E60-E62 PolarHBondContact O-N 3.13Å; E60-E63 PolarHBondContact N-OE2 3.47Å; E60-E63 PolarHBondContact O-N 3.1Å; E60-E63 VanDerWaalsContact O-N 3.13Å; E60-L64 VanDerWaalsContact O-CB 3.31Å; E60-L64 WeakPolarHBondContact O-CB 3.02Å; E60-L64 PolarHBondContact O-N 3.04Å
61E90.1Very high87.6Confident76 Ų7651.6 Ų51.636%0.35528%0.28SS..Hα-helixtrans-54.4-38.9179-172.7178.4175.900112L64 K65 T83 K84 L87E61-L64 PolarHBondContact O-N 2.95Å; E61-K65 PolarHBondContact O-N 3.04Å; E61-T83 HydrophobicContact CG-CG2 3.65Å; E61-T83 VanDerWaalsContact O-CG2 3.29Å; E61-T83 WeakPolarHBondContact O-CG2 3.49Å; E61-K84 VanDerWaalsContact OE1-CE 3.27Å; E61-K84 WeakPolarHBondContact OE1-CE 3.44Å; E61-L87 HydrophobicContact CB-CD2 4.33Å
62E88.2Confident87.4Confident150 Ų15052.4 Ų52.470%0.70129%0.288SS*.Hα-helixtrans-66-42.5179.7-60.2-173.6168.200111.7E60 K65 F66E60-E62 PolarHBondContact O-N 3.13Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 2.86Å; E62-F66 WeakPolarHBondContact O-CD2 3.09Å
63E89.4Confident86.9Confident26 Ų2661.5 Ų61.512%0.12133%0.327CS..Hα-helixtrans-72.1-38.8177.3-60.7-178.4116.900111.6A53 D54 I59 E60 K65 F66 V67A53-E63 PolarHBondContact N-OE1 3.29Å; D54-E63 PolarHBondContact N-OE1 2.93Å; I59-E63 WeakPolarHBondContact CA-OE2 3.45Å; I59-E63 HydrophobicContact CG2-CB 4.08Å; E60-E63 PolarHBondContact N-OE2 3.47Å; E60-E63 PolarHBondContact O-N 3.1Å; E60-E63 VanDerWaalsContact O-N 3.13Å; E63-K65 PolarHBondContact O-N 2.96Å; E63-F66 CarbonylContact O-C 3.35Å; E63-F66 WeakPolarHBondContact O-CA 3.43Å; E63-F66 PolarHBondContact O-N 3.42Å; E63-V67 PolarHBondContact O-N 3.16Å
64L89.1Confident86.7Confident1 Ų165.1 Ų65.11%0.00534%0.335CS..Hα-helixtrans-60.1-34.9176.4-167.465.2000111.3I59 E60 E61 F66 V67 T83 F86 L87 I98I59-L64 HydrophobicContact CG2-CB 4.08Å; I59-L64 HydrophobicContact CG2-CD1 4.11Å; E60-L64 VanDerWaalsContact O-CB 3.31Å; E60-L64 WeakPolarHBondContact O-CB 3.02Å; E60-L64 PolarHBondContact O-N 3.04Å; E61-L64 PolarHBondContact O-N 2.95Å; L64-F66 PolarHBondContact O-N 3.47Å; L64-V67 HydrophobicContact CD1-CB 4.33Å; L64-V67 HydrophobicContact CD1-CG2 4.4Å; L64-V67 WeakPolarHBondContact O-CB 3.29Å; L64-V67 WeakPolarHBondContact O-CG1 3.25Å; L64-V67 PolarHBondContact O-N 2.96Å; L64-V67 VanDerWaalsContact O-N 3.13Å; L64-T83 HydrophobicContact CB-CG2 3.94Å; L64-T83 HydrophobicContact CD2-CG2 3.97Å; L64-T83 WeakPolarHBondContact CD2-O 3.17Å; L64-T83 HydrophobicContact CG-CG2 4.09Å; L64-F86 HydrophobicContact CD1-CD1 3.56Å; L64-F86 HydrophobicContact CD1-CD2 4.39Å; L64-F86 HydrophobicContact CD1-CE1 3.43Å; L64-F86 VanDerWaalsContact CD1-CE1 3.43Å; L64-F86 HydrophobicContact CD1-CE2 4.17Å; L64-F86 HydrophobicContact CD1-CG 4.08Å; L64-F86 HydrophobicContact CD1-CZ 3.74Å; L64-F86 HydrophobicContact CD2-CB 4.1Å; L64-F86 HydrophobicContact CD2-CD1 4.18Å; L64-F86 HydrophobicContact CD2-CG 4.05Å; L64-F86 HydrophobicContact CG-CD1 3.95Å; L64-F86 HydrophobicContact CG-CE1 4.31Å; L64-F86 HydrophobicContact CG-CG 4.33Å; L64-L87 HydrophobicContact CD2-CB 3.79Å; L64-L87 HydrophobicContact CD2-CD1 4.43Å; L64-I98 HydrophobicContact CD1-CD1 3.81Å; L64-I98 HydrophobicContact CD2-CD1 3.93Å; L64-I98 HydrophobicContact CG-CD1 4.49Å
65K89.8Confident86.4Confident65 Ų6561 Ų6128%0.28331%0.314SS..Hα-helixtrans-59.2-34.1174.2-171.1169.6-175.8156.80112.7E61 E62 E63 L78 D80 T83E61-K65 PolarHBondContact O-N 3.04Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 2.86Å; E63-K65 PolarHBondContact O-N 2.96Å; K65-L78 WeakPolarHBondContact CG-O 3.5Å; K65-L78 PolarHBondContact O-N 2.87Å; K65-D80 IonicContact NZ-OD1 2.95Å; K65-D80 PolarHBondContact NZ-OD1 3.18Å; K65-T83 HydrophobicContact CB-CG2 4.35Å
66F88Confident86.5Confident97 Ų9758.4 Ų58.443%0.42530%0.297SS..THydrogen-bonded Turntrans-1009.7179.3-57.7-66.2000113.1E62 E63 L64 L68 K69 G70 D77E62-F66 WeakPolarHBondContact O-CD2 3.09Å; E63-F66 CarbonylContact O-C 3.35Å; E63-F66 WeakPolarHBondContact O-CA 3.43Å; E63-F66 PolarHBondContact O-N 3.42Å; L64-F66 PolarHBondContact O-N 3.47Å; F66-L68 PolarHBondContact O-N 2.8Å; F66-L68 VanDerWaalsContact O-N 3.12Å; F66-K69 HydrophobicContact CD1-CD 4.15Å; F66-K69 WeakPolarHBondContact O-CA 3.38Å; F66-K69 WeakPolarHBondContact O-CB 3.48Å; F66-K69 PolarHBondContact O-N 3.39Å; F66-G70 PolarHBondContact O-N 3.13Å; F66-D77 WeakPolarHBondContact CD1-OD1 3.25Å; F66-D77 WeakPolarHBondContact CE1-OD1 3.45Å
67V86.5Confident86.5Confident6 Ų659.1 Ų59.14%0.03630%0.297CS..Hα-helixtrans-54.2-40.1-174.1740000112.5L51 E63 L64 K69 G70 F71 L78 F86L51-V67 HydrophobicContact CD1-CG2 3.8Å; L51-V67 HydrophobicContact CD2-CG2 3.74Å; L51-V67 HydrophobicContact CG-CG2 4.26Å; E63-V67 PolarHBondContact O-N 3.16Å; L64-V67 HydrophobicContact CD1-CB 4.33Å; L64-V67 HydrophobicContact CD1-CG2 4.4Å; L64-V67 WeakPolarHBondContact O-CB 3.29Å; L64-V67 WeakPolarHBondContact O-CG1 3.25Å; L64-V67 PolarHBondContact O-N 2.96Å; L64-V67 VanDerWaalsContact O-N 3.13Å; V67-K69 VanDerWaalsContact C-N 3.28Å; V67-K69 PolarHBondContact O-N 3.13Å; V67-G70 WeakPolarHBondContact O-CA 3.29Å; V67-G70 PolarHBondContact O-N 3.45Å; V67-F71 HydrophobicContact CG2-CE2 3.99Å; V67-F71 VanDerWaalsContact O-CD2 3.22Å; V67-F71 WeakPolarHBondContact O-CD2 3.12Å; V67-F71 PolarHBondContact O-N 3.31Å; V67-L78 HydrophobicContact CG1-CD1 3.76Å; V67-L78 HydrophobicContact CG1-CG 4.39Å; V67-F86 HydrophobicContact CG1-CE1 4.13Å
68L86.3Confident86.5Confident1 Ų157.7 Ų57.71%0.00528%0.281CS..Hα-helixtrans-62.6-34.4178.4-65.3-173.9000112.5L16 F25 F30 F66 G70 F71 A72 R76 L78L16-L68 HydrophobicContact CD2-CB 3.9Å; L16-L68 HydrophobicContact CD2-CD1 4.16Å; L16-L68 HydrophobicContact CD2-CD2 3.8Å; L16-L68 HydrophobicContact CD2-CG 4.18Å; F25-L68 HydrophobicContact CD2-CD1 4.4Å; F25-L68 HydrophobicContact CD2-CD2 4.18Å; F25-L68 HydrophobicContact CE2-CD2 3.53Å; F25-L68 HydrophobicContact CE2-CG 4.44Å; F25-L68 HydrophobicContact CZ-CD2 4.11Å; F30-L68 HydrophobicContact CD2-CD2 4.28Å; F30-L68 HydrophobicContact CE2-CD2 3.75Å; F30-L68 HydrophobicContact CZ-CD2 4Å; F66-L68 PolarHBondContact O-N 2.8Å; F66-L68 VanDerWaalsContact O-N 3.12Å; L68-G70 VanDerWaalsContact C-N 3.28Å; L68-G70 PolarHBondContact O-N 3.4Å; L68-F71 PolarHBondContact O-N 2.9Å; L68-A72 PolarHBondContact O-N 3.23Å; L68-R76 WeakPolarHBondContact CB-O 3.2Å; L68-R76 HydrophobicContact CD1-CG 3.85Å; L68-R76 WeakPolarHBondContact CD1-O 3.31Å; L68-L78 HydrophobicContact CD1-CD2 3.67Å; L68-L78 HydrophobicContact CD1-CG 4.37Å; L68-L78 HydrophobicContact CG-CD2 4.11Å; L68-L78 HydrophobicContact CG-CG 4.4Å
69K85.6Confident86.5Confident87 Ų8756.4 Ų56.438%0.37828%0.279SS..Hα-helixtrans-69.2-28.2175.7-71.3178.9173.3161.90112.4F66 V67 F71 A72 G75 D77F66-K69 HydrophobicContact CD1-CD 4.15Å; F66-K69 WeakPolarHBondContact O-CA 3.38Å; F66-K69 WeakPolarHBondContact O-CB 3.48Å; F66-K69 PolarHBondContact O-N 3.39Å; V67-K69 VanDerWaalsContact C-N 3.28Å; V67-K69 PolarHBondContact O-N 3.13Å; K69-F71 VanDerWaalsContact C-N 3.31Å; K69-A72 CarbonylContact C-O 3.45Å; K69-A72 VanDerWaalsContact CA-O 3.26Å; K69-A72 WeakPolarHBondContact CA-O 3.29Å; K69-A72 CarbonylContact O-C 3.45Å; K69-G75 WeakPolarHBondContact CE-O 3.45Å; K69-G75 WeakPolarHBondContact CG-O 3.35Å; K69-D77 WeakPolarHBondContact CD-OD1 3.04Å; K69-D77 WeakPolarHBondContact CE-OD1 3.48Å; K69-D77 IonicContact NZ-OD1 2.63Å; K69-D77 PolarHBondContact NZ-OD1 2.95Å; K69-D77 IonicContact NZ-OD2 3.04Å; K69-D77 PolarHBondContact NZ-OD2 3.22Å
70G83.2Confident86.4Confident30 Ų3060.6 Ų60.631%0.30930%0.301SS..Hα-helixtrans-65.2-33.9171.200000112.8F66 V67 L68F66-G70 PolarHBondContact O-N 3.13Å; V67-G70 WeakPolarHBondContact O-CA 3.29Å; V67-G70 PolarHBondContact O-N 3.45Å; L68-G70 VanDerWaalsContact C-N 3.28Å; L68-G70 PolarHBondContact O-N 3.4Å
71F83.5Confident86.4Confident13 Ų1363.8 Ų63.86%0.05731%0.314CS..Hα-helixtrans-80.2-46.7176.3-72-82.8000112.9M3 L7 I12 F30 F31 V47 L51 V67 L68 K69M3-F71 HydrophobicContact CE-CD1 3.96Å; M3-F71 HydrophobicContact CE-CE1 3.76Å; M3-F71 HydrophobicContact CE-CE2 4.42Å; M3-F71 HydrophobicContact CE-CG 4.36Å; M3-F71 HydrophobicContact CE-CZ 4Å; M3-F71 HydrophobicContact SD-CD1 3.41Å; M3-F71 WeakPolarHBondContact SD-CD1 3.42Å; M3-F71 HydrophobicContact SD-CE1 3.46Å; M3-F71 WeakPolarHBondContact SD-CE1 3.34Å; M3-F71 HydrophobicContact SD-CG 4.21Å; M3-F71 HydrophobicContact SD-CZ 4.29Å; L7-F71 HydrophobicContact CD1-CD1 3.81Å; L7-F71 HydrophobicContact CD1-CE1 3.64Å; I12-F71 HydrophobicContact CG2-CB 3.85Å; F30-F71 HydrophobicContact CE1-CD1 4.15Å; F30-F71 AromaticContact CE1-CD2 3.73Å; F30-F71 HydrophobicContact CE1-CD2 3.73Å; F30-F71 HydrophobicContact CE1-CE1 4.09Å; F30-F71 AromaticContact CE1-CE2 3.66Å; F30-F71 HydrophobicContact CE1-CE2 3.66Å; F30-F71 AromaticContact CE1-CG 4Å; F30-F71 HydrophobicContact CE1-CG 4Å; F30-F71 AromaticContact CE1-CZ 3.87Å; F30-F71 HydrophobicContact CE1-CZ 3.87Å; F30-F71 HydrophobicContact CZ-CB 4.2Å; F30-F71 HydrophobicContact CZ-CD1 4.25Å; F30-F71 AromaticContact CZ-CD2 3.75Å; F30-F71 HydrophobicContact CZ-CD2 3.75Å; F30-F71 HydrophobicContact CZ-CE2 4.18Å; F30-F71 AromaticContact CZ-CG 3.81Å; F30-F71 HydrophobicContact CZ-CG 3.81Å; F31-F71 HydrophobicContact CE1-CZ 4.2Å; V47-F71 HydrophobicContact CG1-CE1 3.89Å; V47-F71 HydrophobicContact CG1-CZ 3.91Å; L51-F71 HydrophobicContact CD1-CE2 3.84Å; L51-F71 HydrophobicContact CD1-CZ 3.88Å; L51-F71 HydrophobicContact CD2-CD2 3.99Å; L51-F71 HydrophobicContact CD2-CE2 3.7Å; L51-F71 HydrophobicContact CD2-CZ 4.24Å; L51-F71 HydrophobicContact CG-CE2 4.34Å; V67-F71 HydrophobicContact CG2-CE2 3.99Å; V67-F71 VanDerWaalsContact O-CD2 3.22Å; V67-F71 WeakPolarHBondContact O-CD2 3.12Å; V67-F71 PolarHBondContact O-N 3.31Å; L68-F71 PolarHBondContact O-N 2.9Å; K69-F71 VanDerWaalsContact C-N 3.31Å
72A82.4Confident86.4Confident27 Ų2760.7 Ų60.722%0.22330%0.299CS..  trans-143.7144.9170.700000111.4I12 L16 L68 K69 D74 G75I12-A72 HydrophobicContact CG2-CB 3.84Å; L16-A72 HydrophobicContact CD1-CB 3.43Å; L16-A72 VanDerWaalsContact CD1-CB 3.43Å; L68-A72 PolarHBondContact O-N 3.23Å; K69-A72 CarbonylContact C-O 3.45Å; K69-A72 VanDerWaalsContact CA-O 3.26Å; K69-A72 WeakPolarHBondContact CA-O 3.29Å; K69-A72 CarbonylContact O-C 3.45Å; A72-D74 PolarHBondContact O-N 3.37Å; A72-G75 PolarHBondContact O-N 3.03Å
73K77.6Confident86.5Confident198 Ų19853.6 Ų53.686%0.86127%0.266SS*.THydrogen-bonded Turntrans-57-26.5179.1-68-174.3176.4-176.30114G75K73-G75 VanDerWaalsContact C-N 3.29Å
74D80Confident86.6Confident155 Ų15558.1 Ų58.183%0.82929%0.286SS*.THydrogen-bonded Turntrans-88.95.7179.7-54-36.6000112.8A72A72-D74 PolarHBondContact O-N 3.37Å
75G80.1Confident86.6Confident5 Ų561 Ų615%0.05231%0.31CS..PPolyproline II helixtrans-62.5135174.800000111.5K69 A72 K73K69-G75 WeakPolarHBondContact CE-O 3.45Å; K69-G75 WeakPolarHBondContact CG-O 3.35Å; A72-G75 PolarHBondContact O-N 3.03Å; K73-G75 VanDerWaalsContact C-N 3.29Å
76R86.1Confident86.6Confident56 Ų5658.1 Ų58.121%0.21130%0.297CS..PPolyproline II helixtrans-72.3164.2170.770.2171.7-178.689.1-5.7110.9F19 V21 L68 E82F19-R76 PolarHBondContact O-NE 2.9Å; F19-R76 PolarHBondContact O-NH2 2.91Å; V21-R76 PolarHBondContact O-NH2 2.85Å; L68-R76 WeakPolarHBondContact CB-O 3.2Å; L68-R76 HydrophobicContact CD1-CG 3.85Å; L68-R76 WeakPolarHBondContact CD1-O 3.31Å; R76-E82 IonicContact CZ-OE1 3.6Å; R76-E82 IonicContact CZ-OE2 3.58Å; R76-E82 IonicContact NH1-OE1 3.6Å; R76-E82 IonicContact NH1-OE2 2.8Å; R76-E82 PolarHBondContact NH1-OE2 2.93Å; R76-E82 IonicContact NH2-OE1 2.71Å; R76-E82 PolarHBondContact NH2-OE1 2.8Å; R76-E82 IonicContact NH2-OE2 3.44Å; R76-E82 PolarHBondContact NH2-OE2 3.44Å
77D89.2Confident86.7Confident65 Ų6554.3 Ų54.335%0.34828%0.281SS..PPolyproline II helixtrans-77.6141.4169.1-59-32.3000109.7F66 K69F66-D77 WeakPolarHBondContact CD1-OD1 3.25Å; F66-D77 WeakPolarHBondContact CE1-OD1 3.45Å; K69-D77 WeakPolarHBondContact CD-OD1 3.04Å; K69-D77 WeakPolarHBondContact CE-OD1 3.48Å; K69-D77 IonicContact NZ-OD1 2.63Å; K69-D77 PolarHBondContact NZ-OD1 2.95Å; K69-D77 IonicContact NZ-OD2 3.04Å; K69-D77 PolarHBondContact NZ-OD2 3.22Å
78L88.8Confident86.9Confident2 Ų262.4 Ų62.41%0.0132%0.316CS..PPolyproline II helixtrans-69.4144.3167.9-65.2-174.9000109.2F25 K65 V67 L68 E82 T83 F86F25-L78 HydrophobicContact CB-CD2 3.77Å; F25-L78 HydrophobicContact CD1-CD1 3.95Å; F25-L78 HydrophobicContact CD1-CD2 3.79Å; F25-L78 HydrophobicContact CD2-CD2 3.93Å; F25-L78 HydrophobicContact CE1-CD1 4.04Å; F25-L78 HydrophobicContact CE1-CD2 4.4Å; F25-L78 HydrophobicContact CG-CD2 3.52Å; K65-L78 WeakPolarHBondContact CG-O 3.5Å; K65-L78 PolarHBondContact O-N 2.87Å; V67-L78 HydrophobicContact CG1-CD1 3.76Å; V67-L78 HydrophobicContact CG1-CG 4.39Å; L68-L78 HydrophobicContact CD1-CD2 3.67Å; L68-L78 HydrophobicContact CD1-CG 4.37Å; L68-L78 HydrophobicContact CG-CD2 4.11Å; L68-L78 HydrophobicContact CG-CG 4.4Å; L78-E82 HydrophobicContact CB-CB 4.14Å; L78-E82 HydrophobicContact CD2-CB 4.28Å; L78-T83 WeakPolarHBondContact CB-OG1 3.35Å; L78-F86 HydrophobicContact CD1-CD1 4.06Å
79T90.6Very high87Confident43 Ų4363.7 Ų63.726%0.26433%0.327SS..PPolyproline II helixtrans-73.3156.3170.861.30000109.8A22 D23 K81 E82 T83A22-T79 HydrophobicContact CB-CG2 4.04Å; D23-T79 PolarHBondContact OD1-OG1 2.67Å; T79-K81 PolarHBondContact O-N 3.08Å; T79-E82 PolarHBondContact N-OE2 2.71Å; T79-E82 PolarHBondContact O-N 3.4Å; T79-E82 VanDerWaalsContact OG1-CG 3.27Å; T79-E82 WeakPolarHBondContact OG1-CG 3.22Å; T79-E82 PolarHBondContact OG1-N 2.92Å; T79-E82 PolarHBondContact OG1-OE2 2.81Å; T79-T83 PolarHBondContact O-N 2.95Å; T79-T83 PolarHBondContact O-OG1 3.34Å; T79-T83 VanDerWaalsContact O-OG1 3.09Å
80D90.1Very high87.2Confident91 Ų9159.6 Ų59.649%0.48731%0.309SS..Hα-helixtrans-57.8-28.2180-53-35.1000112.3K65 K84K65-D80 IonicContact NZ-OD1 2.95Å; K65-D80 PolarHBondContact NZ-OD1 3.18Å; D80-K84 VanDerWaalsContact O-CB 3.31Å; D80-K84 WeakPolarHBondContact O-CB 3.41Å; D80-K84 WeakPolarHBondContact O-CG 3.29Å; D80-K84 PolarHBondContact O-N 3.05Å
81K89.8Confident87.6Confident145 Ų14559.5 Ų59.563%0.6330%0.302SS*.Hα-helixtrans-67.9-47.5173.1-71.1-178.7-174.7169.20112.1D23 T79 K84 A85D23-K81 IonicContact OD2-NZ 3.17Å; T79-K81 PolarHBondContact O-N 3.08Å; K81-K84 PolarHBondContact O-N 3.4Å; K81-A85 VanDerWaalsContact O-CB 3.24Å; K81-A85 WeakPolarHBondContact O-CB 3.23Å; K81-A85 PolarHBondContact O-N 3.12Å
82E90.3Very high87.9Confident11 Ų1164.9 Ų64.95%0.05133%0.325CS..Hα-helixtrans-65.1-44.5178.5-71.2168.8135.100111.2D23 S24 F25 R76 L78 T79 K84 A85 F86D23-E82 VanDerWaalsContact CA-OE1 3.26Å; D23-E82 WeakPolarHBondContact CA-OE1 3.28Å; D23-E82 VanDerWaalsContact N-CD 3.29Å; D23-E82 PolarHBondContact N-OE1 2.61Å; S24-E82 PolarHBondContact N-OE1 3.26Å; S24-E82 VanDerWaalsContact N-OE1 3.13Å; F25-E82 HydrophobicContact CB-CB 4.43Å; F25-E82 HydrophobicContact CB-CG 4.12Å; F25-E82 VanDerWaalsContact CB-OE1 3.23Å; F25-E82 WeakPolarHBondContact CB-OE1 3.26Å; F25-E82 PolarHBondContact N-OE1 3.48Å; R76-E82 IonicContact CZ-OE1 3.6Å; R76-E82 IonicContact CZ-OE2 3.58Å; R76-E82 IonicContact NH1-OE1 3.6Å; R76-E82 IonicContact NH1-OE2 2.8Å; R76-E82 PolarHBondContact NH1-OE2 2.93Å; R76-E82 IonicContact NH2-OE1 2.71Å; R76-E82 PolarHBondContact NH2-OE1 2.8Å; R76-E82 IonicContact NH2-OE2 3.44Å; R76-E82 PolarHBondContact NH2-OE2 3.44Å; L78-E82 HydrophobicContact CB-CB 4.14Å; L78-E82 HydrophobicContact CD2-CB 4.28Å; T79-E82 PolarHBondContact N-OE2 2.71Å; T79-E82 PolarHBondContact O-N 3.4Å; T79-E82 VanDerWaalsContact OG1-CG 3.27Å; T79-E82 WeakPolarHBondContact OG1-CG 3.22Å; T79-E82 PolarHBondContact OG1-N 2.92Å; T79-E82 PolarHBondContact OG1-OE2 2.81Å; E82-K84 PolarHBondContact O-N 3.02Å; E82-A85 PolarHBondContact O-N 2.98Å; E82-F86 VanDerWaalsContact O-CB 3.25Å; E82-F86 WeakPolarHBondContact O-CB 3.32Å; E82-F86 PolarHBondContact O-N 2.82Å
83T90.9Very high88.2Confident1 Ų168.8 Ų68.81%0.00634%0.342CS..Hα-helixtrans-58.5-48.7176.4-52.30000110.6E61 L64 K65 L78 T79 A85 F86 L87E61-T83 HydrophobicContact CG-CG2 3.65Å; E61-T83 VanDerWaalsContact O-CG2 3.29Å; E61-T83 WeakPolarHBondContact O-CG2 3.49Å; L64-T83 HydrophobicContact CB-CG2 3.94Å; L64-T83 HydrophobicContact CD2-CG2 3.97Å; L64-T83 WeakPolarHBondContact CD2-O 3.17Å; L64-T83 HydrophobicContact CG-CG2 4.09Å; K65-T83 HydrophobicContact CB-CG2 4.35Å; L78-T83 WeakPolarHBondContact CB-OG1 3.35Å; T79-T83 PolarHBondContact O-N 2.95Å; T79-T83 PolarHBondContact O-OG1 3.34Å; T79-T83 VanDerWaalsContact O-OG1 3.09Å; T83-A85 PolarHBondContact O-N 3.33Å; T83-F86 PolarHBondContact O-N 2.95Å; T83-L87 VanDerWaalsContact O-CB 3.31Å; T83-L87 WeakPolarHBondContact O-CB 3.02Å; T83-L87 PolarHBondContact O-N 3.12Å
84K90.1Very high88.7Confident122 Ų12262.3 Ų62.353%0.5333%0.331SS..Hα-helixtrans-65.6-38.8177.5-74.7178.1-179.5-176.50113.3E61 D80 K81 E82 F86 K88E61-K84 VanDerWaalsContact OE1-CE 3.27Å; E61-K84 WeakPolarHBondContact OE1-CE 3.44Å; D80-K84 VanDerWaalsContact O-CB 3.31Å; D80-K84 WeakPolarHBondContact O-CB 3.41Å; D80-K84 WeakPolarHBondContact O-CG 3.29Å; D80-K84 PolarHBondContact O-N 3.05Å; K81-K84 PolarHBondContact O-N 3.4Å; E82-K84 PolarHBondContact O-N 3.02Å; K84-F86 VanDerWaalsContact C-N 3.35Å; K84-K88 WeakPolarHBondContact O-CB 3.31Å; K84-K88 PolarHBondContact O-N 3.21Å
85A89.9Confident89.2Confident62 Ų6258 Ų5851%0.51231%0.308SS..Hα-helixtrans-66.5-39.6177.400000111.5K81 E82 T83 A89K81-A85 VanDerWaalsContact O-CB 3.24Å; K81-A85 WeakPolarHBondContact O-CB 3.23Å; K81-A85 PolarHBondContact O-N 3.12Å; E82-A85 PolarHBondContact O-N 2.98Å; T83-A85 PolarHBondContact O-N 3.33Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 3.21Å; A85-A89 VanDerWaalsContact O-N 3.15Å
86F89.5Confident89.6Confident4 Ų459.5 Ų59.52%0.01832%0.324CS..Hα-helixtrans-67.4-53.9175-174.1177.4000110.1F25 H27 F31 L64 V67 L78 E82 T83 K84 K88 A89 A90 I98 L106F25-F86 HydrophobicContact CD1-CD1 4.26Å; F25-F86 AromaticContact CE1-CD1 3.48Å; F25-F86 HydrophobicContact CE1-CD1 3.48Å; F25-F86 VanDerWaalsContact CE1-CD1 3.48Å; F25-F86 AromaticContact CE1-CE1 3.71Å; F25-F86 HydrophobicContact CE1-CE1 3.71Å; F25-F86 HydrophobicContact CE1-CG 4.31Å; F25-F86 HydrophobicContact CZ-CD1 4.37Å; F25-F86 HydrophobicContact CZ-CE1 4.17Å; H27-F86 HydrophobicContact CB-CD1 4.42Å; H27-F86 HydrophobicContact CB-CD2 3.93Å; H27-F86 HydrophobicContact CB-CE1 4.26Å; H27-F86 HydrophobicContact CB-CE2 3.9Å; H27-F86 HydrophobicContact CB-CG 4.26Å; H27-F86 HydrophobicContact CB-CZ 4.03Å; F31-F86 HydrophobicContact CE2-CZ 4.33Å; F31-F86 AromaticContact CZ-CZ 3.95Å; F31-F86 HydrophobicContact CZ-CZ 3.95Å; L64-F86 HydrophobicContact CD1-CD1 3.56Å; L64-F86 HydrophobicContact CD1-CD2 4.39Å; L64-F86 HydrophobicContact CD1-CE1 3.43Å; L64-F86 VanDerWaalsContact CD1-CE1 3.43Å; L64-F86 HydrophobicContact CD1-CE2 4.17Å; L64-F86 HydrophobicContact CD1-CG 4.08Å; L64-F86 HydrophobicContact CD1-CZ 3.74Å; L64-F86 HydrophobicContact CD2-CB 4.1Å; L64-F86 HydrophobicContact CD2-CD1 4.18Å; L64-F86 HydrophobicContact CD2-CG 4.05Å; L64-F86 HydrophobicContact CG-CD1 3.95Å; L64-F86 HydrophobicContact CG-CE1 4.31Å; L64-F86 HydrophobicContact CG-CG 4.33Å; V67-F86 HydrophobicContact CG1-CE1 4.13Å; L78-F86 HydrophobicContact CD1-CD1 4.06Å; E82-F86 VanDerWaalsContact O-CB 3.25Å; E82-F86 WeakPolarHBondContact O-CB 3.32Å; E82-F86 PolarHBondContact O-N 2.82Å; T83-F86 PolarHBondContact O-N 2.95Å; K84-F86 VanDerWaalsContact C-N 3.35Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 2.94Å; F86-A89 WeakPolarHBondContact O-CA 3.44Å; F86-A89 WeakPolarHBondContact O-CB 3.22Å; F86-A89 PolarHBondContact O-N 3.48Å; F86-A90 HydrophobicContact CD2-CB 4.29Å; F86-A90 HydrophobicContact CE2-CB 4.28Å; F86-A90 WeakPolarHBondContact O-CB 3.27Å; F86-A90 PolarHBondContact O-N 3.06Å; F86-I98 HydrophobicContact CE2-CD1 4.25Å; F86-L106 HydrophobicContact CD2-CD2 4.05Å; F86-L106 HydrophobicContact CE2-CD2 3.31Å; F86-L106 HydrophobicContact CZ-CD2 4.21Å
87L90.6Very high89.8Confident16 Ų1659.6 Ų59.68%0.08433%0.325CS..Hα-helixtrans-51-52177.8-177.362.7000110.4E61 L64 T83 A89 A90 D91 I98E61-L87 HydrophobicContact CB-CD2 4.33Å; L64-L87 HydrophobicContact CD2-CB 3.79Å; L64-L87 HydrophobicContact CD2-CD1 4.43Å; T83-L87 VanDerWaalsContact O-CB 3.31Å; T83-L87 WeakPolarHBondContact O-CB 3.02Å; T83-L87 PolarHBondContact O-N 3.12Å; L87-A89 PolarHBondContact O-N 2.92Å; L87-A90 PolarHBondContact O-N 2.84Å; L87-D91 HydrophobicContact CD1-CB 4.19Å; L87-D91 HydrophobicContact CG-CB 4.38Å; L87-D91 WeakPolarHBondContact O-CB 3.44Å; L87-D91 PolarHBondContact O-N 3.23Å; L87-I98 HydrophobicContact CD1-CD1 4.2Å; L87-I98 HydrophobicContact CD1-CG1 3.7Å
88K90.1Very high90Very high177 Ų17756.5 Ų56.577%0.7731%0.309SS*.Hα-helixtrans-61.8-27178.7-173.3175.2-179.4-179.60114.7K84 F86K84-K88 WeakPolarHBondContact O-CB 3.31Å; K84-K88 PolarHBondContact O-N 3.21Å; F86-K88 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 2.94Å
89A88.9Confident90.2Very high28 Ų2856.9 Ų56.923%0.23131%0.313CS..Hα-helixtrans-78.1-32.917600000111.9H27 A85 F86 L87 K92H27-A89 VanDerWaalsContact CE1-CB 3.43Å; H27-A89 WeakPolarHBondContact CE1-CB 3.35Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 3.21Å; A85-A89 VanDerWaalsContact O-N 3.15Å; F86-A89 WeakPolarHBondContact O-CA 3.44Å; F86-A89 WeakPolarHBondContact O-CB 3.22Å; F86-A89 PolarHBondContact O-N 3.48Å; L87-A89 PolarHBondContact O-N 2.92Å; A89-K92 PolarHBondContact O-NZ 3.47Å
90A89.3Confident90.1Very high1 Ų157.1 Ų57.11%0.00831%0.313CS..Hα-helixtrans-86.7-50.5-176.300000113F86 L87 K92 I98 L106F86-A90 HydrophobicContact CD2-CB 4.29Å; F86-A90 HydrophobicContact CE2-CB 4.28Å; F86-A90 WeakPolarHBondContact O-CB 3.27Å; F86-A90 PolarHBondContact O-N 3.06Å; L87-A90 PolarHBondContact O-N 2.84Å; A90-K92 WeakPolarHBondContact O-CG 3.46Å; A90-K92 PolarHBondContact O-N 3.08Å; A90-K92 VanDerWaalsContact O-N 3.11Å; A90-I98 HydrophobicContact CB-CB 4.46Å; A90-I98 HydrophobicContact CB-CD1 3.41Å; A90-I98 VanDerWaalsContact CB-CD1 3.41Å; A90-I98 HydrophobicContact CB-CG1 3.66Å; A90-I98 HydrophobicContact CB-CG2 3.98Å; A90-L106 HydrophobicContact CB-CD1 4.44Å; A90-L106 HydrophobicContact CB-CD2 3.78Å
91D92.3Very high90.1Very high28 Ų2859.3 Ų59.315%0.1532%0.324CS..  trans-63.9100.9178.11796.1000109.7L87 D93 G94 D95 G96L87-D91 HydrophobicContact CD1-CB 4.19Å; L87-D91 HydrophobicContact CG-CB 4.38Å; L87-D91 WeakPolarHBondContact O-CB 3.44Å; L87-D91 PolarHBondContact O-N 3.23Å; D91-D93 PolarHBondContact OD1-N 3.27Å; D91-G94 WeakPolarHBondContact OD1-CA 3.44Å; D91-G94 PolarHBondContact OD1-N 3.47Å; D91-G94 WeakPolarHBondContact OD2-CA 3.14Å; D91-D95 PolarHBondContact OD1-N 2.93Å; D91-G96 WeakPolarHBondContact OD2-CA 3.3Å; D91-G96 PolarHBondContact OD2-N 3.42Å
92K88.4Confident90.2Very high126 Ų12653.4 Ų53.455%0.54830%0.299SS..SBendtrans-95.3-26.8179.3-61.4-51.4-168.1-161.30111.4A89 A90 E102 E109A89-K92 PolarHBondContact O-NZ 3.47Å; A90-K92 WeakPolarHBondContact O-CG 3.46Å; A90-K92 PolarHBondContact O-N 3.08Å; A90-K92 VanDerWaalsContact O-N 3.11Å; K92-E102 PolarHBondContact N-OE1 3.42Å; K92-E109 IonicContact NZ-OE2 2.76Å; K92-E109 PolarHBondContact NZ-OE2 3.41Å
93D89.4Confident90.2Very high108 Ų10853 Ų5358%0.57830%0.297SS*.SBendtrans-91.5-13.5-177.572.813.4000113.9D91 D95 E102D91-D93 PolarHBondContact OD1-N 3.27Å; D93-D95 VanDerWaalsContact OD1-CB 3.25Å; D93-D95 WeakPolarHBondContact OD1-CB 3.41Å; D93-D95 PolarHBondContact OD1-N 3.36Å; D93-E102 PolarHBondContact N-OE1 2.91Å
94G88.4Confident90.1Very high62 Ų6254.1 Ų54.164%0.63931%0.306SS*.SBendtrans80.722.317600000113.8D91 G96D91-G94 WeakPolarHBondContact OD1-CA 3.44Å; D91-G94 PolarHBondContact OD1-N 3.47Å; D91-G94 WeakPolarHBondContact OD2-CA 3.14Å; G94-G96 VanDerWaalsContact C-N 3.3Å
95D89.4Confident90.1Very high65 Ų6550.7 Ų50.735%0.34830%0.301SS..SBendtrans-82.9-5.6-179.278.7-2.1000113.9D91 D93 K97D91-D95 PolarHBondContact OD1-N 2.93Å; D93-D95 VanDerWaalsContact OD1-CB 3.25Å; D93-D95 WeakPolarHBondContact OD1-CB 3.41Å; D93-D95 PolarHBondContact OD1-N 3.36Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 HydrophobicContact CB-CG 4.44Å; D95-K97 WeakPolarHBondContact OD1-CG 3.32Å; D95-K97 PolarHBondContact OD1-N 3.2Å; D95-K97 VanDerWaalsContact OD1-O 3.06Å; D95-K97 WeakPolarHBondContact OD2-CE 3.47Å; D95-K97 VanDerWaalsContact OD2-CG 3.22Å; D95-K97 WeakPolarHBondContact OD2-CG 3.45Å; D95-K97 IonicContact OD2-NZ 2.61Å
96G88.6Confident90Very high36 Ų3647.9 Ų47.937%0.37128%0.277SS..SBendtrans8012.3177.400000114.3D91 G94D91-G96 WeakPolarHBondContact OD2-CA 3.3Å; D91-G96 PolarHBondContact OD2-N 3.42Å; G94-G96 VanDerWaalsContact C-N 3.3Å
97K91.7Very high89.9Confident58 Ų5847.7 Ų47.725%0.25228%0.277SS..SBendtrans-138174.1175.753.1-172.7-175.3167.50108.9F58 I59 D95F58-K97 HydrophobicContact CB-CB 4.06Å; F58-K97 HydrophobicContact CB-CD 3.64Å; F58-K97 HydrophobicContact CB-CG 4.04Å; F58-K97 HydrophobicContact CD1-CD 3.66Å; F58-K97 HydrophobicContact CD1-CG 3.89Å; F58-K97 HydrophobicContact CD2-CD 4.17Å; F58-K97 HydrophobicContact CE1-CD 4.36Å; F58-K97 HydrophobicContact CG-CD 3.55Å; F58-K97 HydrophobicContact CG-CG 4.14Å; I59-K97 WeakPolarHBondContact O-CA 3.41Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 HydrophobicContact CB-CG 4.44Å; D95-K97 WeakPolarHBondContact OD1-CG 3.32Å; D95-K97 PolarHBondContact OD1-N 3.2Å; D95-K97 VanDerWaalsContact OD1-O 3.06Å; D95-K97 WeakPolarHBondContact OD2-CE 3.47Å; D95-K97 VanDerWaalsContact OD2-CG 3.22Å; D95-K97 WeakPolarHBondContact OD2-CG 3.45Å; D95-K97 IonicContact OD2-NZ 2.61Å
98I92.5Very high89.5Confident0 Ų053.4 Ų53.40%030%0.301CS..EExtended strand (participates in β ladder)trans-116.7112.4-178.8-52.2171.2000108.3F48 F58 I59 L64 F86 L87 A90 E102 F103F48-I98 WeakPolarHBondContact CE2-O 3.49Å; F58-I98 WeakPolarHBondContact CA-O 3.41Å; I59-I98 HydrophobicContact CB-CB 4.24Å; I59-I98 PolarHBondContact N-O 2.92Å; I59-I98 PolarHBondContact O-N 3.49Å; L64-I98 HydrophobicContact CD1-CD1 3.81Å; L64-I98 HydrophobicContact CD2-CD1 3.93Å; L64-I98 HydrophobicContact CG-CD1 4.49Å; F86-I98 HydrophobicContact CE2-CD1 4.25Å; L87-I98 HydrophobicContact CD1-CD1 4.2Å; L87-I98 HydrophobicContact CD1-CG1 3.7Å; A90-I98 HydrophobicContact CB-CB 4.46Å; A90-I98 HydrophobicContact CB-CD1 3.41Å; A90-I98 VanDerWaalsContact CB-CD1 3.41Å; A90-I98 HydrophobicContact CB-CG1 3.66Å; A90-I98 HydrophobicContact CB-CG2 3.98Å; I98-E102 WeakPolarHBondContact CA-OE2 3.33Å; I98-E102 HydrophobicContact CG2-CB 4.06Å; I98-F103 HydrophobicContact CG2-CB 4Å
99G92.2Very high88.8Confident10 Ų1049.7 Ų49.710%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-73.5163.1172.300000112.6D101 E102 F103G99-D101 VanDerWaalsContact C-N 3.27Å; G99-D101 PolarHBondContact O-N 3.49Å; G99-E102 PolarHBondContact N-OE2 2.92Å; G99-E102 PolarHBondContact O-N 3.13Å; G99-F103 WeakPolarHBondContact O-CB 3.35Å; G99-F103 PolarHBondContact O-N 2.93Å
100I90.1Very high88.8Confident49 Ų4950.8 Ų50.825%0.25129%0.289SS..Hα-helixtrans-58.8-38.2177.4-171.8168000113.2K45 F48 A104K45-I100 HydrophobicContact CB-CD1 3.74Å; K45-I100 HydrophobicContact CD-CD1 3.5Å; K45-I100 VanDerWaalsContact CD-CD1 3.5Å; K45-I100 HydrophobicContact CG-CD1 3.38Å; F48-I100 HydrophobicContact CD1-CB 4.3Å; F48-I100 HydrophobicContact CD1-CG1 4.39Å; F48-I100 HydrophobicContact CE1-CB 4.24Å; F48-I100 HydrophobicContact CE2-CB 4.48Å; F48-I100 HydrophobicContact CG-CB 4.46Å; F48-I100 HydrophobicContact CG-CG1 4.34Å; F48-I100 HydrophobicContact CZ-CB 4.32Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.37Å; I100-A104 PolarHBondContact O-N 3.03Å
101D90.3Very high88.8Confident137 Ų13753.4 Ų53.473%0.73330%0.304SS*.Hα-helixtrans-69.4-38.2179.9-67.4-49.9000111.2G99 A104 A105G99-D101 VanDerWaalsContact C-N 3.27Å; G99-D101 PolarHBondContact O-N 3.49Å; D101-A104 PolarHBondContact O-N 3.3Å; D101-A105 WeakPolarHBondContact O-CB 3.17Å; D101-A105 PolarHBondContact O-N 3.04Å
102E92Very high88.6Confident21 Ų2154.8 Ų54.810%0.09831%0.312CS..Hα-helixtrans-69.4-43.1176-61.7-178.9126.300111.5K92 D93 I98 G99 A104 A105 L106K92-E102 PolarHBondContact N-OE1 3.42Å; D93-E102 PolarHBondContact N-OE1 2.91Å; I98-E102 WeakPolarHBondContact CA-OE2 3.33Å; I98-E102 HydrophobicContact CG2-CB 4.06Å; G99-E102 PolarHBondContact N-OE2 2.92Å; G99-E102 PolarHBondContact O-N 3.13Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.88Å; E102-A105 PolarHBondContact O-N 2.88Å; E102-L106 VanDerWaalsContact O-CB 3.28Å; E102-L106 WeakPolarHBondContact O-CB 3.44Å; E102-L106 PolarHBondContact O-N 3.04Å
103F89.9Confident88.6Confident1 Ų150.6 Ų50.60%0.00430%0.299CS..Hα-helixtrans-59.6-45.3172.3-173.7-100.5000110.8F31 L36 V44 V47 F48 L51 I59 I98 G99 A105 L106 V107F31-F103 HydrophobicContact CE1-CE2 4.04Å; F31-F103 AromaticContact CE1-CZ 3.97Å; F31-F103 HydrophobicContact CE1-CZ 3.97Å; F31-F103 HydrophobicContact CZ-CD2 4.47Å; F31-F103 AromaticContact CZ-CE2 3.61Å; F31-F103 HydrophobicContact CZ-CE2 3.61Å; F31-F103 AromaticContact CZ-CZ 3.98Å; F31-F103 HydrophobicContact CZ-CZ 3.98Å; L36-F103 HydrophobicContact CD2-CE1 3.99Å; L36-F103 HydrophobicContact CD2-CZ 3.9Å; V44-F103 HydrophobicContact CG1-CD1 3.61Å; V44-F103 HydrophobicContact CG1-CE1 3.77Å; V47-F103 HydrophobicContact CG1-CE1 4.13Å; V47-F103 HydrophobicContact CG1-CZ 4.03Å; F48-F103 HydrophobicContact CB-CD1 4.09Å; F48-F103 HydrophobicContact CB-CE1 4.32Å; F48-F103 HydrophobicContact CD2-CB 3.73Å; F48-F103 HydrophobicContact CD2-CD1 4.02Å; F48-F103 HydrophobicContact CD2-CD2 4.36Å; F48-F103 AromaticContact CD2-CG 3.79Å; F48-F103 HydrophobicContact CD2-CG 3.79Å; F48-F103 HydrophobicContact CE2-CB 4.12Å; L51-F103 HydrophobicContact CD1-CE2 3.95Å; L51-F103 HydrophobicContact CD1-CZ 3.89Å; I59-F103 HydrophobicContact CD1-CD2 4.17Å; I59-F103 HydrophobicContact CD1-CE2 4.4Å; I98-F103 HydrophobicContact CG2-CB 4Å; G99-F103 WeakPolarHBondContact O-CB 3.35Å; G99-F103 PolarHBondContact O-N 2.93Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 3.49Å; F103-L106 PolarHBondContact O-N 2.63Å; F103-V107 HydrophobicContact CD1-CG2 4.11Å; F103-V107 HydrophobicContact CE1-CG2 3.84Å; F103-V107 HydrophobicContact CZ-CG2 4.06Å; F103-V107 WeakPolarHBondContact O-CB 3.25Å; F103-V107 VanDerWaalsContact O-CG2 3.22Å; F103-V107 WeakPolarHBondContact O-CG2 3.44Å; F103-V107 PolarHBondContact O-N 2.86Å
104A89.1Confident88.5Confident25 Ų2547.1 Ų47.121%0.20728%0.281CS..Hα-helixtrans-64.4-37.2177.200000112.9V44 I100 D101 E102 K108V44-A104 HydrophobicContact CG1-CB 4.2Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.37Å; I100-A104 PolarHBondContact O-N 3.03Å; D101-A104 PolarHBondContact O-N 3.3Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.88Å; A104-K108 WeakPolarHBondContact O-CG 3.29Å; A104-K108 PolarHBondContact O-N 3.5Å
105A89.1Confident88.5Confident51 Ų5146.1 Ų46.142%0.42126%0.257SS..Hα-helixtrans-64.9-46173.300000111.1D101 E102 F103 V107 K108 E109D101-A105 WeakPolarHBondContact O-CB 3.17Å; D101-A105 PolarHBondContact O-N 3.04Å; E102-A105 PolarHBondContact O-N 2.88Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 3.49Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 3.01Å; A105-K108 CarbonylContact O-C 3.52Å; A105-K108 PolarHBondContact O-N 3.01Å; A105-E109 PolarHBondContact O-N 2.99Å
106L88.8Confident88.5Confident2 Ų244.7 Ų44.71%0.0125%0.251CS..Hα-helixtrans-62.3-41.1179.5-171.874.7000112.5H27 F31 F86 A90 E102 F103 K108 E109H27-L106 VanDerWaalsContact CD2-CD1 3.5Å; H27-L106 WeakPolarHBondContact CD2-CD1 3.26Å; F31-L106 HydrophobicContact CE2-CD2 3.72Å; F31-L106 HydrophobicContact CE2-CG 4.13Å; F31-L106 HydrophobicContact CZ-CD2 4.49Å; F86-L106 HydrophobicContact CD2-CD2 4.05Å; F86-L106 HydrophobicContact CE2-CD2 3.31Å; F86-L106 HydrophobicContact CZ-CD2 4.21Å; A90-L106 HydrophobicContact CB-CD1 4.44Å; A90-L106 HydrophobicContact CB-CD2 3.78Å; E102-L106 VanDerWaalsContact O-CB 3.28Å; E102-L106 WeakPolarHBondContact O-CB 3.44Å; E102-L106 PolarHBondContact O-N 3.04Å; F103-L106 PolarHBondContact O-N 2.63Å; L106-K108 PolarHBondContact O-N 2.93Å; L106-E109 PolarHBondContact O-N 3.19Å
107V86.8Confident88.5Confident1 Ų145.4 Ų45.41%0.00624%0.242CC..Hα-helixtrans-64.3-31175.9171.30000111F31 L36 K37 V44 F103 A105F31-V107 HydrophobicContact CD1-CG2 4.27Å; F31-V107 HydrophobicContact CD2-CG2 3.91Å; F31-V107 HydrophobicContact CE1-CG2 4.39Å; F31-V107 HydrophobicContact CE2-CG2 4.03Å; F31-V107 HydrophobicContact CG-CG2 4.05Å; F31-V107 HydrophobicContact CZ-CG2 4.27Å; L36-V107 HydrophobicContact CB-CG1 3.98Å; L36-V107 HydrophobicContact CD2-CB 4.46Å; L36-V107 HydrophobicContact CD2-CG1 4.01Å; L36-V107 HydrophobicContact CD2-CG2 3.51Å; L36-V107 HydrophobicContact CG-CG1 3.83Å; L36-V107 HydrophobicContact CG-CG2 4.25Å; L36-V107 WeakPolarHBondContact O-CG1 3.43Å; K37-V107 WeakPolarHBondContact CE-O 3.41Å; K37-V107 WeakPolarHBondContact CG-O 2.96Å; V44-V107 HydrophobicContact CG1-CG2 4.45Å; V44-V107 HydrophobicContact CG2-CG1 4.21Å; F103-V107 HydrophobicContact CD1-CG2 4.11Å; F103-V107 HydrophobicContact CE1-CG2 3.84Å; F103-V107 HydrophobicContact CZ-CG2 4.06Å; F103-V107 WeakPolarHBondContact O-CB 3.25Å; F103-V107 VanDerWaalsContact O-CG2 3.22Å; F103-V107 WeakPolarHBondContact O-CG2 3.44Å; F103-V107 PolarHBondContact O-N 2.86Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 3.01Å
108K82.3Confident88.2Confident135 Ų13544.3 Ų44.359%0.58724%0.241SC*.Hα-helixtrans-91.4-7-179.9-71.1-178.7178.6178.90114.3A104 A105 L106A104-K108 WeakPolarHBondContact O-CG 3.29Å; A104-K108 PolarHBondContact O-N 3.5Å; A105-K108 CarbonylContact O-C 3.52Å; A105-K108 PolarHBondContact O-N 3.01Å; L106-K108 PolarHBondContact O-N 2.93Å
109E75.1Confident87.8Confident100 Ų10048.4 Ų48.447%0.46726%0.263SS..  trans-71.30180-144.7-171.695.800112.2K28 K37 K92 A105 L106K28-E109 WeakPolarHBondContact CE-OE1 3.45Å; K28-E109 IonicContact NZ-OE1 3.96Å; K28-E109 PolarHBondContact NZ-OE1 2.9Å; K37-E109 WeakPolarHBondContact CE-OXT 3.36Å; K37-E109 PolarHBondContact NZ-OXT 3.15Å; K92-E109 IonicContact NZ-OE2 2.76Å; K92-E109 PolarHBondContact NZ-OE2 3.41Å; A105-E109 PolarHBondContact O-N 2.99Å; L106-E109 PolarHBondContact O-N 3.19Å

Retrieved 109 of 109 residues in 208.9 ms (Link to these results)

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