A0A077YYQ8_TRITR Loading...

Egal-1 winged helix domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YYQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 434 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
1M41Very low65.5Low213 Ų21392.2 Ų92.2100%1.04951%0.511SS*.  0-47.80-62.4-162.487.300111.8T3 D4M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.87Å; M1-D4 PolarHBondContact O-N 2.56Å
2A43.2Very low67.1Low71 Ų7184.5 Ų84.559%0.58747%0.468SS*.Hα-helixtrans-58.9-29.9178.900000115.6D4 D6A2-D4 PolarHBondContact O-N 3.44Å; A2-D6 PolarHBondContact O-N 3.46Å
3T52.3Low68.2Low104 Ų10478.8 Ų78.864%0.63844%0.437SS*.Hα-helixtrans-67.4-31.5-176.950.40000114.3M1 S7M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.87Å; T3-S7 WeakPolarHBondContact O-CB 3.5Å; T3-S7 PolarHBondContact O-N 2.69Å
4D62.7Low68.7Low121 Ų12181.1 Ų81.165%0.64744%0.444SS*.Hα-helixtrans-81.1-35.2-176.7-67.6-14.3000111.2M1 A2 S7 A8M1-D4 PolarHBondContact O-N 2.56Å; A2-D4 PolarHBondContact O-N 3.44Å; D4-S7 WeakPolarHBondContact O-CB 2.98Å; D4-S7 PolarHBondContact O-N 3.11Å; D4-A8 PolarHBondContact O-N 2.66Å
5E66.4Low69.7Low104 Ų10477.6 Ų77.649%0.48642%0.423SS..Hα-helixtrans-68-43.5177.3-162.3-172.5145.600111.4S7 A8 K9E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.88Å; E5-A8 PolarHBondContact O-N 3.24Å; E5-K9 WeakPolarHBondContact O-CG 3.29Å; E5-K9 PolarHBondContact O-N 3.26Å; E5-K9 WeakPolarHBondContact OE1-CE 3.37Å; E5-K9 IonicContact OE1-NZ 3.66Å; E5-K9 PolarHBondContact OE1-NZ 3.17Å
6D74.6Confident70.8Confident90 Ų9072.8 Ų72.848%0.48140%0.397SS..Hα-helixtrans-64-36.8175.2-75.4-18.2000111.8A2 K9 N10A2-D6 PolarHBondContact O-N 3.46Å; D6-K9 PolarHBondContact O-N 2.81Å; D6-N10 WeakPolarHBondContact O-CB 3.39Å; D6-N10 VanDerWaalsContact O-CG 3.23Å; D6-N10 PolarHBondContact O-N 3.2Å; D6-N10 PolarHBondContact O-ND2 2.94Å; D6-N10 VanDerWaalsContact O-ND2 3.1Å
7S71.5Confident71.3Confident63 Ų6371 Ų7144%0.44139%0.386SS..Hα-helixtrans-62-47173.9-173.30000111.4T3 D4 E5 K9 N10 L11T3-S7 WeakPolarHBondContact O-CB 3.5Å; T3-S7 PolarHBondContact O-N 2.69Å; D4-S7 WeakPolarHBondContact O-CB 2.98Å; D4-S7 PolarHBondContact O-N 3.11Å; E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.88Å; S7-K9 PolarHBondContact O-N 3.32Å; S7-N10 PolarHBondContact O-N 3Å; S7-L11 WeakPolarHBondContact O-CG 3.23Å; S7-L11 PolarHBondContact O-N 2.95Å
8A77.7Confident71.5Confident9 Ų971.4 Ų71.47%0.07439%0.388CS..Hα-helixtrans-63.2-40.6177.400000112.6D4 E5 L11 A12 E44 A48D4-A8 PolarHBondContact O-N 2.66Å; E5-A8 PolarHBondContact O-N 3.24Å; A8-L11 PolarHBondContact O-N 2.94Å; A8-A12 WeakPolarHBondContact O-CB 3.4Å; A8-A12 PolarHBondContact O-N 3.29Å; A8-E44 HydrophobicContact CB-CB 4.01Å; A8-A48 HydrophobicContact CB-CB 4.1Å
9K82.1Confident71.9Confident52 Ų5269.7 Ų69.723%0.22638%0.377CS..Hα-helixtrans-60.3-46.9173.6-75176.6-175.4159.50111.6E5 D6 S7 L11 A12 L13 A48 F59E5-K9 WeakPolarHBondContact O-CG 3.29Å; E5-K9 PolarHBondContact O-N 3.26Å; E5-K9 WeakPolarHBondContact OE1-CE 3.37Å; E5-K9 IonicContact OE1-NZ 3.66Å; E5-K9 PolarHBondContact OE1-NZ 3.17Å; D6-K9 PolarHBondContact O-N 2.81Å; S7-K9 PolarHBondContact O-N 3.32Å; K9-L11 PolarHBondContact O-N 3.44Å; K9-A12 PolarHBondContact O-N 3.2Å; K9-L13 WeakPolarHBondContact O-CB 3.45Å; K9-L13 PolarHBondContact O-N 2.93Å; K9-A48 HydrophobicContact CG-CB 3.76Å; K9-F59 HydrophobicContact CB-CE2 4.28Å; K9-F59 HydrophobicContact CG-CE2 4.24Å
10N75.5Confident72.2Confident88 Ų8866.2 Ų66.247%0.47136%0.358SS..Hα-helixtrans-64.2-40.5179-73.2-31.5000112.2D6 S7 L13 M14D6-N10 WeakPolarHBondContact O-CB 3.39Å; D6-N10 VanDerWaalsContact O-CG 3.23Å; D6-N10 PolarHBondContact O-N 3.2Å; D6-N10 PolarHBondContact O-ND2 2.94Å; D6-N10 VanDerWaalsContact O-ND2 3.1Å; S7-N10 PolarHBondContact O-N 3Å; N10-L13 WeakPolarHBondContact O-CB 3.41Å; N10-L13 PolarHBondContact O-N 3.37Å; N10-M14 VanDerWaalsContact O-CG 3.31Å; N10-M14 WeakPolarHBondContact O-CG 3.39Å; N10-M14 PolarHBondContact O-N 3.32Å
11L73.6Confident72.4Confident99 Ų9967.6 Ų67.652%0.51837%0.365SS..Hα-helixtrans-63.5-43.5174.6-71.9171.3000111.5S7 A8 K9 M14 F15 M45S7-L11 WeakPolarHBondContact O-CG 3.23Å; S7-L11 PolarHBondContact O-N 2.95Å; A8-L11 PolarHBondContact O-N 2.94Å; K9-L11 PolarHBondContact O-N 3.44Å; L11-M14 PolarHBondContact O-N 3.47Å; L11-F15 WeakPolarHBondContact O-CB 3.5Å; L11-F15 PolarHBondContact O-N 3.34Å; L11-M45 HydrophobicContact CB-CE 4.4Å; L11-M45 HydrophobicContact CB-CG 4.09Å; L11-M45 HydrophobicContact CB-SD 4.13Å
12A84.3Confident73.9Confident0 Ų062.6 Ų62.60%034%0.339CS..Hα-helixtrans-61.8-43175.800000112.2A8 K9 M14 F15 F16 F41 M45 V49 F59A8-A12 WeakPolarHBondContact O-CB 3.4Å; A8-A12 PolarHBondContact O-N 3.29Å; K9-A12 PolarHBondContact O-N 3.2Å; A12-M14 PolarHBondContact O-N 3.19Å; A12-F15 WeakPolarHBondContact O-CB 3.29Å; A12-F15 PolarHBondContact O-N 3.07Å; A12-F16 WeakPolarHBondContact O-CD2 3.43Å; A12-F16 PolarHBondContact O-N 3.4Å; A12-F16 VanDerWaalsContact O-N 3.15Å; A12-F41 HydrophobicContact CB-CE2 4.34Å; A12-M45 HydrophobicContact CB-CB 4.1Å; A12-M45 HydrophobicContact CB-CE 4.25Å; A12-M45 HydrophobicContact CB-CG 4.3Å; A12-V49 HydrophobicContact CB-CG2 3.57Å; A12-F59 HydrophobicContact CB-CE1 4.47Å; A12-F59 HydrophobicContact CB-CZ 4.27Å
13L81.9Confident75.5Confident11 Ų1163.9 Ų63.96%0.05833%0.331CS..Hα-helixtrans-57.1-48.4175.2-175.668.3000111.5K9 N10 F15 F16 L17 F59 Y63 L66 F67K9-L13 WeakPolarHBondContact O-CB 3.45Å; K9-L13 PolarHBondContact O-N 2.93Å; N10-L13 WeakPolarHBondContact O-CB 3.41Å; N10-L13 PolarHBondContact O-N 3.37Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.09Å; L13-F16 PolarHBondContact O-N 2.97Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 PolarHBondContact O-N 2.94Å; L13-F59 HydrophobicContact CB-CE1 4.49Å; L13-F59 HydrophobicContact CB-CZ 4.27Å; L13-F59 HydrophobicContact CD1-CE1 4.45Å; L13-Y63 HydrophobicContact CD1-CD1 4.31Å; L13-Y63 HydrophobicContact CD1-CD2 3.66Å; L13-Y63 HydrophobicContact CD1-CE1 4.47Å; L13-Y63 HydrophobicContact CD1-CE2 3.85Å; L13-Y63 HydrophobicContact CD1-CG 3.9Å; L13-Y63 HydrophobicContact CD2-CD1 4.14Å; L13-Y63 HydrophobicContact CD2-CE1 3.88Å; L13-L66 HydrophobicContact CD1-CD1 4.37Å; L13-L66 HydrophobicContact CD2-CD1 4.32Å; L13-F67 HydrophobicContact CD1-CE2 3.51Å; L13-F67 HydrophobicContact CD1-CZ 3.86Å
14M75.7Confident76.4Confident110 Ų11065.2 Ų65.254%0.54233%0.334SS..Hα-helixtrans-64.4-38.3178.6-68.8-64.2144.700112.3N10 L11 A12 F16 L17 D18N10-M14 VanDerWaalsContact O-CG 3.31Å; N10-M14 WeakPolarHBondContact O-CG 3.39Å; N10-M14 PolarHBondContact O-N 3.32Å; L11-M14 PolarHBondContact O-N 3.47Å; A12-M14 PolarHBondContact O-N 3.19Å; M14-F16 PolarHBondContact O-N 3Å; M14-L17 PolarHBondContact O-N 3.02Å; M14-L17 HydrophobicContact SD-CD2 4.24Å; M14-D18 PolarHBondContact O-N 3.05Å
15F83.4Confident77.3Confident29 Ų2959.5 Ų59.513%0.12730%0.304CS..Hα-helixtrans-60.8-43.3177.7-179.5-83.8000112.5L11 A12 L13 H19 Q35 A38 F41 M45L11-F15 WeakPolarHBondContact O-CB 3.5Å; L11-F15 PolarHBondContact O-N 3.34Å; A12-F15 WeakPolarHBondContact O-CB 3.29Å; A12-F15 PolarHBondContact O-N 3.07Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.09Å; F15-H19 AromaticContact CD1-ND1 3.97Å; F15-H19 AromaticContact CE1-CE1 3.63Å; F15-H19 AromaticContact CE1-ND1 3.62Å; F15-H19 AromaticContact CE2-CE1 3.76Å; F15-H19 AromaticContact CZ-CE1 3.28Å; F15-H19 WeakPolarHBondContact CZ-CE1 3.23Å; F15-H19 AromaticContact CZ-ND1 3.73Å; F15-H19 PolarHBondContact O-N 2.69Å; F15-H19 PolarHBondContact O-ND1 3.49Å; F15-H19 VanDerWaalsContact O-ND1 3.13Å; F15-Q35 HydrophobicContact CE1-CB 3.73Å; F15-Q35 HydrophobicContact CZ-CB 4.15Å; F15-A38 HydrophobicContact CZ-CB 3.94Å; F15-F41 AromaticContact CD1-CD2 3.55Å; F15-F41 HydrophobicContact CD1-CD2 3.55Å; F15-F41 AromaticContact CD1-CE2 3.98Å; F15-F41 HydrophobicContact CD1-CE2 3.98Å; F15-F41 HydrophobicContact CD2-CD2 4.22Å; F15-F41 AromaticContact CE1-CD2 3.68Å; F15-F41 HydrophobicContact CE1-CD2 3.68Å; F15-F41 HydrophobicContact CE1-CE2 4.4Å; F15-F41 HydrophobicContact CE1-CG 4.49Å; F15-F41 HydrophobicContact CE2-CB 4.24Å; F15-F41 HydrophobicContact CE2-CD2 4.33Å; F15-F41 AromaticContact CG-CD2 3.84Å; F15-F41 HydrophobicContact CG-CD2 3.84Å; F15-F41 HydrophobicContact CG-CE2 4.39Å; F15-F41 HydrophobicContact CZ-CB 4.13Å; F15-F41 HydrophobicContact CZ-CD2 4.08Å; F15-M45 HydrophobicContact CB-CE 3.6Å; F15-M45 HydrophobicContact CD2-CE 4.15Å; F15-M45 HydrophobicContact CG-CE 3.94Å
16F87Confident78.2Confident0 Ų062.7 Ų62.70%031%0.311CS..Hα-helixtrans-74.2-34.7178-70.2-59.5000113A12 L13 M14 H19 L20 L32 F36 F41 V49 L56 L60A12-F16 WeakPolarHBondContact O-CD2 3.43Å; A12-F16 PolarHBondContact O-N 3.4Å; A12-F16 VanDerWaalsContact O-N 3.15Å; L13-F16 PolarHBondContact O-N 2.97Å; M14-F16 PolarHBondContact O-N 3Å; F16-H19 PolarHBondContact O-N 3.06Å; F16-L20 WeakPolarHBondContact O-CB 3.44Å; F16-L20 WeakPolarHBondContact O-CG 3.34Å; F16-L20 PolarHBondContact O-N 3.34Å; F16-L32 HydrophobicContact CD1-CB 4.32Å; F16-L32 HydrophobicContact CD1-CD2 4.26Å; F16-L32 HydrophobicContact CE1-CB 4.27Å; F16-F36 HydrophobicContact CE2-CE1 4.41Å; F16-F36 HydrophobicContact CZ-CD1 4.14Å; F16-F36 AromaticContact CZ-CE1 3.68Å; F16-F36 HydrophobicContact CZ-CE1 3.68Å; F16-F41 AromaticContact CE2-CE2 3.75Å; F16-F41 HydrophobicContact CE2-CE2 3.75Å; F16-F41 HydrophobicContact CE2-CZ 4.11Å; F16-F41 AromaticContact CZ-CE2 3.66Å; F16-F41 HydrophobicContact CZ-CE2 3.66Å; F16-F41 HydrophobicContact CZ-CZ 4.01Å; F16-V49 HydrophobicContact CE2-CG1 4.48Å; F16-V49 HydrophobicContact CE2-CG2 4.44Å; F16-L56 HydrophobicContact CD1-CD1 4.45Å; F16-L56 HydrophobicContact CD2-CD1 3.91Å; F16-L56 HydrophobicContact CE1-CD1 4.02Å; F16-L56 HydrophobicContact CE1-CD2 4.19Å; F16-L56 HydrophobicContact CE2-CD1 3.41Å; F16-L56 VanDerWaalsContact CE2-CD1 3.41Å; F16-L56 HydrophobicContact CG-CD1 4.42Å; F16-L56 HydrophobicContact CZ-CD1 3.49Å; F16-L56 VanDerWaalsContact CZ-CD1 3.49Å; F16-L56 HydrophobicContact CZ-CD2 4.25Å; F16-L60 HydrophobicContact CB-CD2 4.31Å; F16-L60 HydrophobicContact CD2-CD2 4.4Å
17L79.2Confident78.9Confident43 Ų4362.4 Ų62.423%0.22530%0.303CS..Hα-helixtrans-58.2-48.9173.2-173.766000110.9L13 M14 L20 I21 L76L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 PolarHBondContact O-N 2.94Å; M14-L17 PolarHBondContact O-N 3.02Å; M14-L17 HydrophobicContact SD-CD2 4.24Å; L17-L20 PolarHBondContact O-N 3.01Å; L17-I21 HydrophobicContact CD1-CD1 4.44Å; L17-I21 HydrophobicContact CG-CD1 4.02Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.3Å; L17-I21 PolarHBondContact O-N 3.05Å; L17-L76 HydrophobicContact CD1-CD1 3.88Å; L17-L76 HydrophobicContact CD1-CD2 3.44Å; L17-L76 VanDerWaalsContact CD1-CD2 3.44Å; L17-L76 HydrophobicContact CD1-CG 4.36Å
18D75.8Confident79.9Confident79 Ų7960.2 Ų60.242%0.42229%0.288SS..Hα-helixtrans-60.9-46.4178.1-177.840.2000112.2M14 L20 I21 Q22M14-D18 PolarHBondContact O-N 3.05Å; D18-L20 VanDerWaalsContact C-N 3.32Å; D18-L20 PolarHBondContact O-N 3.46Å; D18-I21 PolarHBondContact O-N 3.18Å; D18-Q22 VanDerWaalsContact O-CG 3.31Å; D18-Q22 WeakPolarHBondContact O-CG 3.44Å; D18-Q22 PolarHBondContact O-N 3.32Å; D18-Q22 PolarHBondContact OD1-NE2 2.99Å; D18-Q22 PolarHBondContact OD2-NE2 3.27Å
19H77.5Confident80.7Confident38 Ų3860.7 Ų60.718%0.17629%0.289CS..Hα-helixtrans-61.9-37.3178.1-88.875.9000113.6F15 F16 K23 L32 Q35F15-H19 AromaticContact CD1-ND1 3.97Å; F15-H19 AromaticContact CE1-CE1 3.63Å; F15-H19 AromaticContact CE1-ND1 3.62Å; F15-H19 AromaticContact CE2-CE1 3.76Å; F15-H19 AromaticContact CZ-CE1 3.28Å; F15-H19 WeakPolarHBondContact CZ-CE1 3.23Å; F15-H19 AromaticContact CZ-ND1 3.73Å; F15-H19 PolarHBondContact O-N 2.69Å; F15-H19 PolarHBondContact O-ND1 3.49Å; F15-H19 VanDerWaalsContact O-ND1 3.13Å; F16-H19 PolarHBondContact O-N 3.06Å; H19-K23 WeakPolarHBondContact O-CG 3.49Å; H19-L32 HydrophobicContact CB-CD2 4.43Å; H19-Q35 PolarHBondContact NE2-OE1 3.14Å
20L78.6Confident81Confident0 Ų063.6 Ų63.60%030%0.304CS..Hα-helixtrans-70.2-43.8175.9-78.8161.4000110.9F16 L17 D18 Q22 K23 N24 G25 R27 L32 F67 V74 L76F16-L20 WeakPolarHBondContact O-CB 3.44Å; F16-L20 WeakPolarHBondContact O-CG 3.34Å; F16-L20 PolarHBondContact O-N 3.34Å; L17-L20 PolarHBondContact O-N 3.01Å; D18-L20 VanDerWaalsContact C-N 3.32Å; D18-L20 PolarHBondContact O-N 3.46Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.14Å; L20-K23 CarbonylContact O-C 3.55Å; L20-K23 PolarHBondContact O-N 2.88Å; L20-N24 PolarHBondContact O-N 3.09Å; L20-G25 WeakPolarHBondContact O-CA 3.35Å; L20-G25 PolarHBondContact O-N 3Å; L20-R27 HydrophobicContact CD2-CB 3.75Å; L20-R27 HydrophobicContact CD2-CG 3.95Å; L20-L32 HydrophobicContact CD1-CD1 4.4Å; L20-L32 HydrophobicContact CD2-CD1 4.33Å; L20-L32 HydrophobicContact CG-CD1 4.44Å; L20-L32 HydrophobicContact CG-CD2 4.31Å; L20-F67 HydrophobicContact CD1-CD1 3.88Å; L20-F67 HydrophobicContact CD1-CE1 3.7Å; L20-V74 HydrophobicContact CD1-CG1 3.79Å; L20-V74 HydrophobicContact CD2-CB 4.43Å; L20-V74 HydrophobicContact CD2-CG1 4.48Å; L20-L76 HydrophobicContact CB-CD1 3.38Å; L20-L76 HydrophobicContact CB-CD2 4.48Å; L20-L76 HydrophobicContact CB-CG 3.71Å; L20-L76 HydrophobicContact CD1-CD1 4.45Å; L20-L76 HydrophobicContact CD1-CD2 4.07Å; L20-L76 HydrophobicContact CD1-CG 3.95Å; L20-L76 HydrophobicContact CG-CG 4.37Å
21I76.3Confident81.7Confident95 Ų9562.8 Ų62.849%0.48730%0.299SS..Hα-helixtrans-56.3-45.2176.4-70.9165000110.9L17 D18 K23 N24 L76 I79L17-I21 HydrophobicContact CD1-CD1 4.44Å; L17-I21 HydrophobicContact CG-CD1 4.02Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.3Å; L17-I21 PolarHBondContact O-N 3.05Å; D18-I21 PolarHBondContact O-N 3.18Å; I21-K23 PolarHBondContact O-N 3.17Å; I21-N24 PolarHBondContact O-N 3.49Å; I21-L76 HydrophobicContact CG1-CD1 3.81Å; I21-I79 HydrophobicContact CG1-CD1 4.07Å
22Q72.8Confident82.6Confident109 Ų10958.2 Ų58.251%0.50928%0.275SS..THydrogen-bonded Turntrans-62-15.7178.1-70.1174.72600114D18 L20D18-Q22 VanDerWaalsContact O-CG 3.31Å; D18-Q22 WeakPolarHBondContact O-CG 3.44Å; D18-Q22 PolarHBondContact O-N 3.32Å; D18-Q22 PolarHBondContact OD1-NE2 2.99Å; D18-Q22 PolarHBondContact OD2-NE2 3.27Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.14Å
23K76.3Confident82.9Confident97 Ų9759.2 Ų59.242%0.42228%0.282SS..THydrogen-bonded Turntrans-124.638.3-174.5-59.3-63.1-172.6-1710112.1H19 L20 I21 G25 R26 R27H19-K23 WeakPolarHBondContact O-CG 3.49Å; L20-K23 CarbonylContact O-C 3.55Å; L20-K23 PolarHBondContact O-N 2.88Å; I21-K23 PolarHBondContact O-N 3.17Å; K23-G25 PolarHBondContact O-N 3.27Å; K23-R26 PolarHBondContact O-N 3.41Å; K23-R27 HydrophobicContact CB-CG 3.96Å; K23-R27 VanDerWaalsContact CD-NH1 3.29Å; K23-R27 HydrophobicContact CG-CG 4.44Å
24N72.4Confident83.2Confident133 Ų13362.3 Ų62.371%0.71130%0.304SS*.THydrogen-bonded Turntrans59.830.2176.7-59.84.1000113.4L20 I21 R26L20-N24 PolarHBondContact O-N 3.09Å; I21-N24 PolarHBondContact O-N 3.49Å; N24-R26 VanDerWaalsContact C-N 3.28Å; N24-R26 PolarHBondContact O-N 3.13Å
25G80.6Confident83.8Confident0 Ų059.6 Ų59.60%029%0.29CS..THydrogen-bonded Turntrans72.311.7175.300000116.5L20 K23 T75 L76L20-G25 WeakPolarHBondContact O-CA 3.35Å; L20-G25 PolarHBondContact O-N 3Å; K23-G25 PolarHBondContact O-N 3.27Å; G25-T75 CarbonylContact O-C 3.4Å; G25-T75 VanDerWaalsContact O-CA 3.28Å; G25-T75 WeakPolarHBondContact O-CA 3.35Å; G25-L76 PolarHBondContact O-N 2.95Å
26R85.3Confident84.1Confident172 Ų17258.8 Ų58.865%0.64929%0.286SS*.EExtended strand (participates in β ladder)trans-139.4131-179.466.3-177.8-174174.51.2112.3K23 N24 V74 T75K23-R26 PolarHBondContact O-N 3.41Å; N24-R26 VanDerWaalsContact C-N 3.28Å; N24-R26 PolarHBondContact O-N 3.13Å; R26-V74 WeakPolarHBondContact CA-O 3.02Å; R26-T75 HydrophobicContact CB-CG2 4.38Å
27R89.7Confident83.8Confident83 Ų8361.9 Ų61.931%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-153155.4174.4-70.9-58-117.2-151.74.8111.9L20 K23 L32 Q73 V74L20-R27 HydrophobicContact CD2-CB 3.75Å; L20-R27 HydrophobicContact CD2-CG 3.95Å; K23-R27 HydrophobicContact CB-CG 3.96Å; K23-R27 VanDerWaalsContact CD-NH1 3.29Å; K23-R27 HydrophobicContact CG-CG 4.44Å; R27-L32 HydrophobicContact CB-CD1 4.25Å; R27-L32 HydrophobicContact CB-CD2 3.97Å; R27-L32 HydrophobicContact CB-CG 3.91Å; R27-L32 HydrophobicContact CG-CD2 4.27Å; R27-Q73 PolarHBondContact O-OE1 3.27Å; R27-V74 PolarHBondContact N-O 2.96Å; R27-V74 PolarHBondContact O-N 3.35Å
28S92.9Very high84Confident18 Ų1861.1 Ų61.113%0.12632%0.318CS..EExtended strand (participates in β ladder)trans-70.7147.2170.776.50000110.9H30 D31 L32 G72S28-H30 PolarHBondContact O-N 2.96Å; S28-D31 PolarHBondContact O-N 3.03Å; S28-D31 WeakPolarHBondContact OG-CB 3.3Å; S28-D31 PolarHBondContact OG-N 3.43Å; S28-D31 PolarHBondContact OG-OD2 3.5Å; S28-L32 WeakPolarHBondContact O-CG 3.36Å; S28-L32 PolarHBondContact O-N 3.06Å; S28-L32 VanDerWaalsContact O-N 3.1Å; S28-G72 CarbonylContact C-O 3.35Å; S28-G72 WeakPolarHBondContact CA-O 3.44Å
29I93Very high83.8Confident18 Ų1870 Ų709%0.09235%0.346CS..Hα-helixtrans-57.3-37.7172.3-69.2170.9000110L32 S33 K53 L56 A57 I69 G72 V74I29-L32 PolarHBondContact O-N 3.12Å; I29-S33 WeakPolarHBondContact O-CB 3.46Å; I29-S33 PolarHBondContact O-N 3.42Å; I29-S33 PolarHBondContact O-OG 3.02Å; I29-K53 HydrophobicContact CG2-CB 4.19Å; I29-K53 VanDerWaalsContact CG2-O 3.31Å; I29-K53 WeakPolarHBondContact CG2-O 3.47Å; I29-L56 HydrophobicContact CG2-CD2 4.45Å; I29-A57 HydrophobicContact CD1-CB 3.7Å; I29-A57 HydrophobicContact CG2-CB 4.46Å; I29-I69 HydrophobicContact CD1-CG2 3.59Å; I29-G72 PolarHBondContact N-O 3.11Å; I29-V74 HydrophobicContact CD1-CG2 4.28Å; I29-V74 HydrophobicContact CG1-CG2 3.43Å; I29-V74 VanDerWaalsContact CG1-CG2 3.43Å
30H89.6Confident83.7Confident114 Ų11470.5 Ų70.553%0.52836%0.361SS..Hα-helixtrans-56.3-52.6176.2178.8-86.9000111.5S28 L32 S33 C34S28-H30 PolarHBondContact O-N 2.96Å; H30-L32 VanDerWaalsContact C-N 3.31Å; H30-L32 PolarHBondContact O-N 3.24Å; H30-S33 PolarHBondContact O-N 3.34Å; H30-S33 VanDerWaalsContact O-N 3.15Å; H30-S33 PolarHBondContact O-OG 3.1Å; H30-C34 PolarHBondContact O-N 2.9Å; H30-C34 VanDerWaalsContact O-N 3.11Å; H30-C34 PolarHBondContact O-SG 2.88Å; H30-C34 VanDerWaalsContact O-SG 3.35Å
31D89.9Confident83.9Confident70 Ų7071.2 Ų71.237%0.37436%0.364SS..Hα-helixtrans-66.4-33.2-179-61.2-34.4000112.9S28S28-D31 PolarHBondContact O-N 3.03Å; S28-D31 WeakPolarHBondContact OG-CB 3.3Å; S28-D31 PolarHBondContact OG-N 3.43Å; S28-D31 PolarHBondContact OG-OD2 3.5Å
32L92.3Very high84.3Confident3 Ų369.5 Ų69.52%0.01636%0.358CS..Hα-helixtrans-68.8-39.9174.1-66.1173.7000111F16 H19 L20 R27 S28 I29 H30 C34 Q35 L56 L60 V74F16-L32 HydrophobicContact CD1-CB 4.32Å; F16-L32 HydrophobicContact CD1-CD2 4.26Å; F16-L32 HydrophobicContact CE1-CB 4.27Å; H19-L32 HydrophobicContact CB-CD2 4.43Å; L20-L32 HydrophobicContact CD1-CD1 4.4Å; L20-L32 HydrophobicContact CD2-CD1 4.33Å; L20-L32 HydrophobicContact CG-CD1 4.44Å; L20-L32 HydrophobicContact CG-CD2 4.31Å; R27-L32 HydrophobicContact CB-CD1 4.25Å; R27-L32 HydrophobicContact CB-CD2 3.97Å; R27-L32 HydrophobicContact CB-CG 3.91Å; R27-L32 HydrophobicContact CG-CD2 4.27Å; S28-L32 WeakPolarHBondContact O-CG 3.36Å; S28-L32 PolarHBondContact O-N 3.06Å; S28-L32 VanDerWaalsContact O-N 3.1Å; I29-L32 PolarHBondContact O-N 3.12Å; H30-L32 VanDerWaalsContact C-N 3.31Å; H30-L32 PolarHBondContact O-N 3.24Å; L32-C34 VanDerWaalsContact C-N 3.27Å; L32-C34 PolarHBondContact O-N 3.19Å; L32-Q35 WeakPolarHBondContact O-CB 3.03Å; L32-Q35 WeakPolarHBondContact O-CG 3.28Å; L32-Q35 PolarHBondContact O-N 2.71Å; L32-L56 HydrophobicContact CB-CD2 3.72Å; L32-L60 HydrophobicContact CD1-CD1 4.36Å; L32-V74 HydrophobicContact CD1-CB 3.89Å; L32-V74 HydrophobicContact CD1-CG1 4.42Å; L32-V74 HydrophobicContact CD1-CG2 3.72Å
33S90.5Very high84.9Confident21 Ų2168.7 Ų68.715%0.14736%0.361CS..Hα-helixtrans-64.5-31.1176.874.50000112.6I29 H30 Q35 F36I29-S33 WeakPolarHBondContact O-CB 3.46Å; I29-S33 PolarHBondContact O-N 3.42Å; I29-S33 PolarHBondContact O-OG 3.02Å; H30-S33 PolarHBondContact O-N 3.34Å; H30-S33 VanDerWaalsContact O-N 3.15Å; H30-S33 PolarHBondContact O-OG 3.1Å; S33-Q35 PolarHBondContact O-N 3.48Å; S33-Q35 VanDerWaalsContact O-N 3.15Å; S33-F36 WeakPolarHBondContact O-CB 3.38Å; S33-F36 WeakPolarHBondContact O-CD2 3.42Å; S33-F36 VanDerWaalsContact O-CG 3.24Å; S33-F36 WeakPolarHBondContact O-CG 3.37Å; S33-F36 PolarHBondContact O-N 3.15Å; S33-F36 VanDerWaalsContact O-N 3.15Å
34C88.9Confident85.4Confident76 Ų7668.8 Ų68.851%0.51436%0.363SS..G310 helixtrans-61.1-21.5171.3-63.10000112.9H30 L32 F36H30-C34 PolarHBondContact O-N 2.9Å; H30-C34 VanDerWaalsContact O-N 3.11Å; H30-C34 PolarHBondContact O-SG 2.88Å; H30-C34 VanDerWaalsContact O-SG 3.35Å; L32-C34 VanDerWaalsContact C-N 3.27Å; L32-C34 PolarHBondContact O-N 3.19Å; C34-F36 PolarHBondContact O-N 3.29Å
35Q88.3Confident86.2Confident53 Ų5362.8 Ų62.825%0.24833%0.331CS..G310 helixtrans-74.7-7.3178.4-55.4-55.9-37.200113.9F15 H19 L32 S33 G37 A38F15-Q35 HydrophobicContact CE1-CB 3.73Å; F15-Q35 HydrophobicContact CZ-CB 4.15Å; H19-Q35 PolarHBondContact NE2-OE1 3.14Å; L32-Q35 WeakPolarHBondContact O-CB 3.03Å; L32-Q35 WeakPolarHBondContact O-CG 3.28Å; L32-Q35 PolarHBondContact O-N 2.71Å; S33-Q35 PolarHBondContact O-N 3.48Å; S33-Q35 VanDerWaalsContact O-N 3.15Å; Q35-G37 PolarHBondContact O-N 3.09Å; Q35-G37 VanDerWaalsContact O-N 3.11Å; Q35-A38 WeakPolarHBondContact O-CB 3.43Å; Q35-A38 PolarHBondContact O-N 2.91Å
36F88.6Confident86.6Confident13 Ų1368 Ų686%0.05735%0.35CS..G310 helixtrans-58.6-25.7173.9-66.8-30.1000112.9F16 S33 C34 F41 R46 V49 G51 L56F16-F36 HydrophobicContact CE2-CE1 4.41Å; F16-F36 HydrophobicContact CZ-CD1 4.14Å; F16-F36 AromaticContact CZ-CE1 3.68Å; F16-F36 HydrophobicContact CZ-CE1 3.68Å; S33-F36 WeakPolarHBondContact O-CB 3.38Å; S33-F36 WeakPolarHBondContact O-CD2 3.42Å; S33-F36 VanDerWaalsContact O-CG 3.24Å; S33-F36 WeakPolarHBondContact O-CG 3.37Å; S33-F36 PolarHBondContact O-N 3.15Å; S33-F36 VanDerWaalsContact O-N 3.15Å; C34-F36 PolarHBondContact O-N 3.29Å; F36-F41 HydrophobicContact CB-CD1 4.29Å; F36-F41 HydrophobicContact CB-CE1 4.37Å; F36-F41 AromaticContact CD1-CD1 3.93Å; F36-F41 HydrophobicContact CD1-CD1 3.93Å; F36-F41 AromaticContact CD1-CE1 3.3Å; F36-F41 HydrophobicContact CD1-CE1 3.3Å; F36-F41 HydrophobicContact CD1-CE2 4.24Å; F36-F41 AromaticContact CD1-CZ 3.5Å; F36-F41 HydrophobicContact CD1-CZ 3.5Å; F36-F41 AromaticContact CE1-CE1 3.87Å; F36-F41 HydrophobicContact CE1-CE1 3.87Å; F36-F41 AromaticContact CE1-CZ 3.69Å; F36-F41 HydrophobicContact CE1-CZ 3.69Å; F36-F41 HydrophobicContact CG-CE1 4.18Å; F36-R46 PolarHBondContact O-NH2 3.27Å; F36-V49 HydrophobicContact CE1-CB 4.5Å; F36-V49 HydrophobicContact CE1-CG1 3.99Å; F36-V49 HydrophobicContact CZ-CG1 3.98Å; F36-G51 WeakPolarHBondContact CD2-O 3.26Å; F36-G51 WeakPolarHBondContact CE2-O 3.35Å; F36-L56 HydrophobicContact CE1-CD1 4.49Å; F36-L56 HydrophobicContact CZ-CB 4.01Å; F36-L56 HydrophobicContact CZ-CD1 4.47Å; F36-L56 HydrophobicContact CZ-CD2 4.32Å
37G81.5Confident86.8Confident64 Ų6467.2 Ų67.266%0.6635%0.354SS*.G310 helixtrans-89.71.7175.700000115Q35Q35-G37 PolarHBondContact O-N 3.09Å; Q35-G37 VanDerWaalsContact O-N 3.11Å
38A82.4Confident86.7Confident28 Ų2864.2 Ų64.223%0.23135%0.347CS..SBendtrans-68.1147.6-178.200000111.2F15 Q35 G40 F41F15-A38 HydrophobicContact CZ-CB 3.94Å; Q35-A38 WeakPolarHBondContact O-CB 3.43Å; Q35-A38 PolarHBondContact O-N 2.91Å; A38-G40 PolarHBondContact O-N 3.46Å; A38-F41 PolarHBondContact O-N 3.48Å
39R73.2Confident86.6Confident265 Ų26563.6 Ų63.6100%134%0.342SS*.THydrogen-bonded Turntrans-57.9-10.2-175.8-168.3174.7174.5-172.6-1.4114.8
40G74.9Confident86.2Confident48 Ų4864.9 Ų64.950%0.49536%0.36SS..THydrogen-bonded Turntrans-113.52.6177.700000115.4A38A38-G40 PolarHBondContact O-N 3.46Å
41F82.4Confident86.1Confident16 Ų1660.9 Ų60.97%0.0735%0.349CS..  trans-100103.3-179.7-161.7-93.4000109.8A12 F15 F16 F36 A38 M45 R46 V49A12-F41 HydrophobicContact CB-CE2 4.34Å; F15-F41 AromaticContact CD1-CD2 3.55Å; F15-F41 HydrophobicContact CD1-CD2 3.55Å; F15-F41 AromaticContact CD1-CE2 3.98Å; F15-F41 HydrophobicContact CD1-CE2 3.98Å; F15-F41 HydrophobicContact CD2-CD2 4.22Å; F15-F41 AromaticContact CE1-CD2 3.68Å; F15-F41 HydrophobicContact CE1-CD2 3.68Å; F15-F41 HydrophobicContact CE1-CE2 4.4Å; F15-F41 HydrophobicContact CE1-CG 4.49Å; F15-F41 HydrophobicContact CE2-CB 4.24Å; F15-F41 HydrophobicContact CE2-CD2 4.33Å; F15-F41 AromaticContact CG-CD2 3.84Å; F15-F41 HydrophobicContact CG-CD2 3.84Å; F15-F41 HydrophobicContact CG-CE2 4.39Å; F15-F41 HydrophobicContact CZ-CB 4.13Å; F15-F41 HydrophobicContact CZ-CD2 4.08Å; F16-F41 AromaticContact CE2-CE2 3.75Å; F16-F41 HydrophobicContact CE2-CE2 3.75Å; F16-F41 HydrophobicContact CE2-CZ 4.11Å; F16-F41 AromaticContact CZ-CE2 3.66Å; F16-F41 HydrophobicContact CZ-CE2 3.66Å; F16-F41 HydrophobicContact CZ-CZ 4.01Å; F36-F41 HydrophobicContact CB-CD1 4.29Å; F36-F41 HydrophobicContact CB-CE1 4.37Å; F36-F41 AromaticContact CD1-CD1 3.93Å; F36-F41 HydrophobicContact CD1-CD1 3.93Å; F36-F41 AromaticContact CD1-CE1 3.3Å; F36-F41 HydrophobicContact CD1-CE1 3.3Å; F36-F41 HydrophobicContact CD1-CE2 4.24Å; F36-F41 AromaticContact CD1-CZ 3.5Å; F36-F41 HydrophobicContact CD1-CZ 3.5Å; F36-F41 AromaticContact CE1-CE1 3.87Å; F36-F41 HydrophobicContact CE1-CE1 3.87Å; F36-F41 AromaticContact CE1-CZ 3.69Å; F36-F41 HydrophobicContact CE1-CZ 3.69Å; F36-F41 HydrophobicContact CG-CE1 4.18Å; A38-F41 PolarHBondContact O-N 3.48Å; F41-M45 HydrophobicContact CD1-CB 4.39Å; F41-M45 HydrophobicContact CD2-CB 4.44Å; F41-M45 HydrophobicContact CD2-CE 3.5Å; F41-M45 HydrophobicContact CE1-CB 4.08Å; F41-M45 HydrophobicContact CE2-CB 4.12Å; F41-M45 HydrophobicContact CE2-CE 3.72Å; F41-M45 HydrophobicContact CG-CE 4.27Å; F41-M45 HydrophobicContact CZ-CB 3.92Å; F41-R46 HydrophobicContact CD1-CB 4.23Å; F41-R46 HydrophobicContact CE1-CB 3.74Å; F41-R46 HydrophobicContact CE1-CG 4.33Å; F41-V49 HydrophobicContact CZ-CG2 4.41Å
42T84.9Confident86.1Confident59 Ų5960.7 Ų60.736%0.36235%0.351SS..  trans-76.2164.9-170.379.10000112.8E44 M45 R46T42-E44 WeakPolarHBondContact CB-OE2 3.36Å; T42-E44 PolarHBondContact O-N 2.98Å; T42-E44 PolarHBondContact OG1-N 3.43Å; T42-E44 PolarHBondContact OG1-OE2 2.9Å; T42-M45 HydrophobicContact CG2-SD 4Å; T42-M45 PolarHBondContact N-SD 2.87Å; T42-M45 PolarHBondContact O-N 3.45Å; T42-M45 WeakPolarHBondContact OG1-CG 3.38Å; T42-M45 PolarHBondContact OG1-N 3.31Å; T42-R46 PolarHBondContact O-N 3.43Å
43T85.6Confident86.1Confident92 Ų9265.8 Ų65.856%0.56437%0.373SS*.Hα-helixtrans-58.5-38.2174.623.30000112.2R46 Q47T43-R46 PolarHBondContact O-N 3.31Å; T43-Q47 WeakPolarHBondContact O-CG 3.31Å; T43-Q47 PolarHBondContact O-N 3.04Å
44E87.3Confident86.2Confident98 Ų9869.7 Ų69.746%0.45839%0.389SS..Hα-helixtrans-69.5-42.7-179.5-54.368-135.100110.2A8 T42 R46 Q47 A48A8-E44 HydrophobicContact CB-CB 4.01Å; T42-E44 WeakPolarHBondContact CB-OE2 3.36Å; T42-E44 PolarHBondContact O-N 2.98Å; T42-E44 PolarHBondContact OG1-N 3.43Å; T42-E44 PolarHBondContact OG1-OE2 2.9Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 2.9Å; E44-Q47 PolarHBondContact O-N 3.02Å; E44-A48 WeakPolarHBondContact O-CB 3.25Å; E44-A48 PolarHBondContact O-N 3.37Å
45M87.6Confident86.4Confident8 Ų866.9 Ų66.94%0.03937%0.37CS..Hα-helixtrans-60.9-39.7172.9-67.6164.569.100111.4L11 A12 F15 F41 T42 A48 V49L11-M45 HydrophobicContact CB-CE 4.4Å; L11-M45 HydrophobicContact CB-CG 4.09Å; L11-M45 HydrophobicContact CB-SD 4.13Å; A12-M45 HydrophobicContact CB-CB 4.1Å; A12-M45 HydrophobicContact CB-CE 4.25Å; A12-M45 HydrophobicContact CB-CG 4.3Å; F15-M45 HydrophobicContact CB-CE 3.6Å; F15-M45 HydrophobicContact CD2-CE 4.15Å; F15-M45 HydrophobicContact CG-CE 3.94Å; F41-M45 HydrophobicContact CD1-CB 4.39Å; F41-M45 HydrophobicContact CD2-CB 4.44Å; F41-M45 HydrophobicContact CD2-CE 3.5Å; F41-M45 HydrophobicContact CE1-CB 4.08Å; F41-M45 HydrophobicContact CE2-CB 4.12Å; F41-M45 HydrophobicContact CE2-CE 3.72Å; F41-M45 HydrophobicContact CG-CE 4.27Å; F41-M45 HydrophobicContact CZ-CB 3.92Å; T42-M45 HydrophobicContact CG2-SD 4Å; T42-M45 PolarHBondContact N-SD 2.87Å; T42-M45 PolarHBondContact O-N 3.45Å; T42-M45 WeakPolarHBondContact OG1-CG 3.38Å; T42-M45 PolarHBondContact OG1-N 3.31Å; M45-A48 PolarHBondContact O-N 3.11Å; M45-V49 WeakPolarHBondContact O-CG2 3.21Å; M45-V49 PolarHBondContact O-N 2.89Å; M45-V49 VanDerWaalsContact O-N 3.15Å
46R89.8Confident86.8Confident109 Ų10964.4 Ų64.441%0.41136%0.358SS..Hα-helixtrans-66-42.9176.8-169.8-176-74.1-166.7-2.7112.3F36 F41 T42 T43 E44 A48 V49 G50 G51F36-R46 PolarHBondContact O-NH2 3.27Å; F41-R46 HydrophobicContact CD1-CB 4.23Å; F41-R46 HydrophobicContact CE1-CB 3.74Å; F41-R46 HydrophobicContact CE1-CG 4.33Å; T42-R46 PolarHBondContact O-N 3.43Å; T43-R46 PolarHBondContact O-N 3.31Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 2.9Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 3.28Å; R46-V49 PolarHBondContact O-N 2.95Å; R46-G50 PolarHBondContact O-N 3.24Å; R46-G51 PolarHBondContact O-N 2.97Å
47Q88.6Confident87Confident156 Ų15665 Ų6573%0.72937%0.365SS*.Hα-helixtrans-62.2-39.9175-73.51730.500111.3T43 E44 V49T43-Q47 WeakPolarHBondContact O-CG 3.31Å; T43-Q47 PolarHBondContact O-N 3.04Å; E44-Q47 PolarHBondContact O-N 3.02Å; Q47-V49 VanDerWaalsContact C-N 3.31Å; Q47-V49 PolarHBondContact O-N 3.48Å
48A88.3Confident87.5Confident19 Ų1968.3 Ų68.316%0.15736%0.364CS..Hα-helixtrans-64.9-30.717800000114A8 K9 E44 M45 R46A8-A48 HydrophobicContact CB-CB 4.1Å; K9-A48 HydrophobicContact CG-CB 3.76Å; E44-A48 WeakPolarHBondContact O-CB 3.25Å; E44-A48 PolarHBondContact O-N 3.37Å; M45-A48 PolarHBondContact O-N 3.11Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 3.28Å
49V90.5Very high88.1Confident6 Ų667.3 Ų67.34%0.03635%0.354CS..Hα-helixtrans-99.7-16.9-176.61800000113.1A12 F16 F36 F41 M45 R46 Q47 S55 L56 F59A12-V49 HydrophobicContact CB-CG2 3.57Å; F16-V49 HydrophobicContact CE2-CG1 4.48Å; F16-V49 HydrophobicContact CE2-CG2 4.44Å; F36-V49 HydrophobicContact CE1-CB 4.5Å; F36-V49 HydrophobicContact CE1-CG1 3.99Å; F36-V49 HydrophobicContact CZ-CG1 3.98Å; F41-V49 HydrophobicContact CZ-CG2 4.41Å; M45-V49 WeakPolarHBondContact O-CG2 3.21Å; M45-V49 PolarHBondContact O-N 2.89Å; M45-V49 VanDerWaalsContact O-N 3.15Å; R46-V49 PolarHBondContact O-N 2.95Å; Q47-V49 VanDerWaalsContact C-N 3.31Å; Q47-V49 PolarHBondContact O-N 3.48Å; V49-S55 CarbonylContact O-C 3.57Å; V49-S55 WeakPolarHBondContact O-CB 3.47Å; V49-S55 PolarHBondContact O-OG 3.17Å; V49-L56 HydrophobicContact CG1-CB 4.25Å; V49-L56 HydrophobicContact CG1-CD1 3.72Å; V49-F59 HydrophobicContact CB-CG 4.41Å; V49-F59 HydrophobicContact CG1-CB 3.94Å; V49-F59 HydrophobicContact CG1-CD1 4.15Å; V49-F59 HydrophobicContact CG1-CG 4.03Å; V49-F59 HydrophobicContact CG2-CD1 3.97Å; V49-F59 HydrophobicContact CG2-CD2 4.09Å; V49-F59 HydrophobicContact CG2-CE1 4.05Å; V49-F59 HydrophobicContact CG2-CE2 4.17Å; V49-F59 HydrophobicContact CG2-CG 3.99Å; V49-F59 HydrophobicContact CG2-CZ 4.15Å
50G86.3Confident89.1Confident44 Ų4454.7 Ų54.745%0.45431%0.307SS..THydrogen-bonded Turntrans93.70.517600000116.1R46 T52 S55R46-G50 PolarHBondContact O-N 3.24Å; G50-T52 PolarHBondContact O-N 2.88Å; G50-S55 VanDerWaalsContact CA-OG 3.23Å; G50-S55 WeakPolarHBondContact CA-OG 3.18Å; G50-S55 PolarHBondContact O-OG 3.02Å
51G86.2Confident89.8Confident30 Ų3055.2 Ų55.231%0.30931%0.306SS..SBendtrans66-0.3167.100000117.7F36 R46 S55F36-G51 WeakPolarHBondContact CD2-O 3.26Å; F36-G51 WeakPolarHBondContact CE2-O 3.35Å; R46-G51 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact N-OG 2.92Å
52T90.6Very high90.1Very high66 Ų6660.4 Ų60.441%0.40533%0.331SS..SBendtrans-113.3167.3175.270.60000111.4G50 E54 S55 L56G50-T52 PolarHBondContact O-N 2.88Å; T52-E54 VanDerWaalsContact C-N 3.31Å; T52-E54 PolarHBondContact OG1-OE2 2.72Å; T52-S55 PolarHBondContact N-OG 3.08Å; T52-S55 VanDerWaalsContact N-OG 3.13Å; T52-S55 PolarHBondContact O-OG 3.03Å; T52-S55 VanDerWaalsContact O-OG 3.09Å; T52-S55 WeakPolarHBondContact OG1-CB 3.45Å; T52-S55 PolarHBondContact OG1-N 2.81Å; T52-S55 VanDerWaalsContact OG1-N 3.13Å; T52-S55 PolarHBondContact OG1-OG 3.18Å; T52-L56 PolarHBondContact O-N 2.88Å; T52-L56 VanDerWaalsContact O-N 3.11Å
53K91.7Very high90.3Very high110 Ų11060.3 Ų60.348%0.47832%0.324SS..Hα-helixtrans-68.6-34.1176.968.1178.3-177.5-177.50111.2I29 A57I29-K53 HydrophobicContact CG2-CB 4.19Å; I29-K53 VanDerWaalsContact CG2-O 3.31Å; I29-K53 WeakPolarHBondContact CG2-O 3.47Å; K53-A57 PolarHBondContact O-N 3.43Å; K53-A57 VanDerWaalsContact O-N 3.15Å
54E92.6Very high90.1Very high103 Ų10359.8 Ų59.848%0.48132%0.322SS..Hα-helixtrans-67.1-46.8177.4-63.875.1-163.400110.4T52 L56 A57 E58T52-E54 VanDerWaalsContact C-N 3.31Å; T52-E54 PolarHBondContact OG1-OE2 2.72Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 3.45Å; E54-A57 WeakPolarHBondContact O-CB 3.32Å; E54-A57 PolarHBondContact O-N 3.23Å; E54-A57 VanDerWaalsContact O-N 3.12Å; E54-E58 PolarHBondContact O-N 3.41Å
55S94Very high89.7Confident18 Ų1859.6 Ų59.613%0.12633%0.332CS..Hα-helixtrans-67-33.2179.678.60000112.2V49 G50 G51 T52 E58 F59V49-S55 CarbonylContact O-C 3.57Å; V49-S55 WeakPolarHBondContact O-CB 3.47Å; V49-S55 PolarHBondContact O-OG 3.17Å; G50-S55 VanDerWaalsContact CA-OG 3.23Å; G50-S55 WeakPolarHBondContact CA-OG 3.18Å; G50-S55 PolarHBondContact O-OG 3.02Å; G51-S55 PolarHBondContact N-OG 2.92Å; T52-S55 PolarHBondContact N-OG 3.08Å; T52-S55 VanDerWaalsContact N-OG 3.13Å; T52-S55 PolarHBondContact O-OG 3.03Å; T52-S55 VanDerWaalsContact O-OG 3.09Å; T52-S55 WeakPolarHBondContact OG1-CB 3.45Å; T52-S55 PolarHBondContact OG1-N 2.81Å; T52-S55 VanDerWaalsContact OG1-N 3.13Å; T52-S55 PolarHBondContact OG1-OG 3.18Å; S55-E58 PolarHBondContact O-N 3.09Å; S55-F59 WeakPolarHBondContact O-CB 3.4Å; S55-F59 PolarHBondContact O-N 3.32Å
56L95.2Very high89.2Confident0 Ų062.1 Ų62.10%035%0.345CS..Hα-helixtrans-63.1-42.2171.4-179.559.2000112F16 I29 L32 F36 V49 T52 E54 E58 F59 L60F16-L56 HydrophobicContact CD1-CD1 4.45Å; F16-L56 HydrophobicContact CD2-CD1 3.91Å; F16-L56 HydrophobicContact CE1-CD1 4.02Å; F16-L56 HydrophobicContact CE1-CD2 4.19Å; F16-L56 HydrophobicContact CE2-CD1 3.41Å; F16-L56 VanDerWaalsContact CE2-CD1 3.41Å; F16-L56 HydrophobicContact CG-CD1 4.42Å; F16-L56 HydrophobicContact CZ-CD1 3.49Å; F16-L56 VanDerWaalsContact CZ-CD1 3.49Å; F16-L56 HydrophobicContact CZ-CD2 4.25Å; I29-L56 HydrophobicContact CG2-CD2 4.45Å; L32-L56 HydrophobicContact CB-CD2 3.72Å; F36-L56 HydrophobicContact CE1-CD1 4.49Å; F36-L56 HydrophobicContact CZ-CB 4.01Å; F36-L56 HydrophobicContact CZ-CD1 4.47Å; F36-L56 HydrophobicContact CZ-CD2 4.32Å; V49-L56 HydrophobicContact CG1-CB 4.25Å; V49-L56 HydrophobicContact CG1-CD1 3.72Å; T52-L56 PolarHBondContact O-N 2.88Å; T52-L56 VanDerWaalsContact O-N 3.11Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 3.45Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-F59 PolarHBondContact O-N 3.3Å; L56-L60 HydrophobicContact CD1-CD1 3.96Å; L56-L60 HydrophobicContact CD1-CG 3.99Å; L56-L60 HydrophobicContact CG-CD1 4.05Å; L56-L60 HydrophobicContact CG-CG 4.44Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.11Å
57A93Very high89.1Confident25 Ų2557.2 Ų57.221%0.20733%0.327CS..Hα-helixtrans-61.8-44.9177.400000110.8I29 K53 E54 A61 I69I29-A57 HydrophobicContact CD1-CB 3.7Å; I29-A57 HydrophobicContact CG2-CB 4.46Å; K53-A57 PolarHBondContact O-N 3.43Å; K53-A57 VanDerWaalsContact O-N 3.15Å; E54-A57 WeakPolarHBondContact O-CB 3.32Å; E54-A57 PolarHBondContact O-N 3.23Å; E54-A57 VanDerWaalsContact O-N 3.12Å; A57-A61 VanDerWaalsContact O-CB 3.25Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 2.78Å; A57-I69 WeakPolarHBondContact O-CD1 3.45Å
58E93.6Very high89Confident135 Ų13550.7 Ų50.763%0.63130%0.3SS*.Hα-helixtrans-63.3-41.5175.4-69.7175.5-176.800112.3E54 S55 L56 A61 Q62E54-E58 PolarHBondContact O-N 3.41Å; S55-E58 PolarHBondContact O-N 3.09Å; L56-E58 VanDerWaalsContact C-N 3.34Å; E58-A61 PolarHBondContact O-N 3.04Å; E58-Q62 PolarHBondContact O-N 3.2Å
59F94.5Very high89.2Confident6 Ų652.4 Ų52.43%0.02631%0.306CS..Hα-helixtrans-61.9-49.4176.7175.7-100.4000112K9 A12 L13 V49 S55 L56 A61 Q62 Y63K9-F59 HydrophobicContact CB-CE2 4.28Å; K9-F59 HydrophobicContact CG-CE2 4.24Å; A12-F59 HydrophobicContact CB-CE1 4.47Å; A12-F59 HydrophobicContact CB-CZ 4.27Å; L13-F59 HydrophobicContact CB-CE1 4.49Å; L13-F59 HydrophobicContact CB-CZ 4.27Å; L13-F59 HydrophobicContact CD1-CE1 4.45Å; V49-F59 HydrophobicContact CB-CG 4.41Å; V49-F59 HydrophobicContact CG1-CB 3.94Å; V49-F59 HydrophobicContact CG1-CD1 4.15Å; V49-F59 HydrophobicContact CG1-CG 4.03Å; V49-F59 HydrophobicContact CG2-CD1 3.97Å; V49-F59 HydrophobicContact CG2-CD2 4.09Å; V49-F59 HydrophobicContact CG2-CE1 4.05Å; V49-F59 HydrophobicContact CG2-CE2 4.17Å; V49-F59 HydrophobicContact CG2-CG 3.99Å; V49-F59 HydrophobicContact CG2-CZ 4.15Å; S55-F59 WeakPolarHBondContact O-CB 3.4Å; S55-F59 PolarHBondContact O-N 3.32Å; L56-F59 PolarHBondContact O-N 3.3Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.17Å; F59-Q62 WeakPolarHBondContact O-CB 3.19Å; F59-Q62 PolarHBondContact O-N 2.99Å; F59-Y63 HydrophobicContact CE1-CE2 4.46Å; F59-Y63 HydrophobicContact CE2-CE2 4.17Å; F59-Y63 HydrophobicContact CZ-CE2 4.06Å; F59-Y63 WeakPolarHBondContact O-CD2 3.45Å
60L93.5Very high89Confident0 Ų057.4 Ų57.40%033%0.332CS..Hα-helixtrans-68.7-30.7179.9-65175.8000112F16 L32 L56 Q62 Y63 F67 I69 V74F16-L60 HydrophobicContact CB-CD2 4.31Å; F16-L60 HydrophobicContact CD2-CD2 4.4Å; L32-L60 HydrophobicContact CD1-CD1 4.36Å; L56-L60 HydrophobicContact CD1-CD1 3.96Å; L56-L60 HydrophobicContact CD1-CG 3.99Å; L56-L60 HydrophobicContact CG-CD1 4.05Å; L56-L60 HydrophobicContact CG-CG 4.44Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.11Å; L60-Q62 PolarHBondContact O-N 3.12Å; L60-Y63 PolarHBondContact O-N 2.77Å; L60-Y63 VanDerWaalsContact O-N 3.08Å; L60-F67 HydrophobicContact CB-CD2 4.2Å; L60-F67 HydrophobicContact CB-CG 4.42Å; L60-F67 HydrophobicContact CD2-CD1 4.45Å; L60-F67 HydrophobicContact CD2-CD2 3.97Å; L60-F67 HydrophobicContact CD2-CE1 4.18Å; L60-F67 HydrophobicContact CD2-CE2 3.68Å; L60-F67 HydrophobicContact CD2-CG 4.36Å; L60-F67 HydrophobicContact CD2-CZ 3.81Å; L60-I69 HydrophobicContact CB-CD1 3.81Å; L60-V74 HydrophobicContact CD1-CG1 4.12Å; L60-V74 HydrophobicContact CD1-CG2 3.92Å
61A90.5Very high89.1Confident59 Ų5963.5 Ų63.549%0.48836%0.355SS..Hα-helixtrans-64.1-21176.100000113.4A57 E58 F59 Y63 I69A57-A61 VanDerWaalsContact O-CB 3.25Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 2.78Å; E58-A61 PolarHBondContact O-N 3.04Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.17Å; A61-Y63 PolarHBondContact O-N 2.98Å; A61-I69 HydrophobicContact CB-CD1 4.17Å
62Q88.8Confident89.1Confident125 Ų12563.9 Ų63.958%0.58436%0.359SS*.THydrogen-bonded Turntrans-68.6-15.3173.7-65.7171.749.700113.1E58 F59 L60 P64E58-Q62 PolarHBondContact O-N 3.2Å; F59-Q62 WeakPolarHBondContact O-CB 3.19Å; F59-Q62 PolarHBondContact O-N 2.99Å; L60-Q62 PolarHBondContact O-N 3.12Å; Q62-P64 WeakPolarHBondContact O-CD 3.27Å
63Y89Confident89.2Confident57 Ų5764.9 Ų64.922%0.22436%0.359CS..  trans-118.463.2-179.2-54.5-86.3000111.6L13 F59 L60 A61 S65 L66 F67L13-Y63 HydrophobicContact CD1-CD1 4.31Å; L13-Y63 HydrophobicContact CD1-CD2 3.66Å; L13-Y63 HydrophobicContact CD1-CE1 4.47Å; L13-Y63 HydrophobicContact CD1-CE2 3.85Å; L13-Y63 HydrophobicContact CD1-CG 3.9Å; L13-Y63 HydrophobicContact CD2-CD1 4.14Å; L13-Y63 HydrophobicContact CD2-CE1 3.88Å; F59-Y63 HydrophobicContact CE1-CE2 4.46Å; F59-Y63 HydrophobicContact CE2-CE2 4.17Å; F59-Y63 HydrophobicContact CZ-CE2 4.06Å; F59-Y63 WeakPolarHBondContact O-CD2 3.45Å; L60-Y63 PolarHBondContact O-N 2.77Å; L60-Y63 VanDerWaalsContact O-N 3.08Å; A61-Y63 PolarHBondContact O-N 2.98Å; Y63-S65 PolarHBondContact O-N 3.48Å; Y63-S65 VanDerWaalsContact O-N 3.1Å; Y63-L66 PolarHBondContact O-N 3.46Å; Y63-F67 PolarHBondContact O-N 2.97Å
64P81.1Confident89.2Confident81 Ų8159.6 Ų59.653%0.52634%0.336SS..THydrogen-bonded Turntrans-68.1-11.9-174.730.4-37.4000113.4Q62 K77Q62-P64 WeakPolarHBondContact O-CD 3.27Å; P64-K77 WeakPolarHBondContact O-CD 3.39Å; P64-K77 WeakPolarHBondContact O-CE 3.32Å; P64-K77 PolarHBondContact O-NZ 2.94Å
65S79.2Confident88.9Confident95 Ų9557.5 Ų57.566%0.66433%0.33SS*.THydrogen-bonded Turntrans-75-28.7170.953.40000112.6Y63Y63-S65 PolarHBondContact O-N 3.48Å; Y63-S65 VanDerWaalsContact O-N 3.1Å
66L75.3Confident88.4Confident60 Ų6057.2 Ų57.231%0.31433%0.327SS..THydrogen-bonded Turntrans-98.6-39.2-177.5-65.1176.8000112.3L13 Y63 L76 K77L13-L66 HydrophobicContact CD1-CD1 4.37Å; L13-L66 HydrophobicContact CD2-CD1 4.32Å; Y63-L66 PolarHBondContact O-N 3.46Å; L66-L76 WeakPolarHBondContact O-CA 3.4Å; L66-K77 PolarHBondContact O-N 3.41Å
67F88.2Confident87.3Confident6 Ų662.3 Ų62.33%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-119141.7-173.4-49-76.5000112.4L13 L20 L60 Y63 V74 L76 K77L13-F67 HydrophobicContact CD1-CE2 3.51Å; L13-F67 HydrophobicContact CD1-CZ 3.86Å; L20-F67 HydrophobicContact CD1-CD1 3.88Å; L20-F67 HydrophobicContact CD1-CE1 3.7Å; L60-F67 HydrophobicContact CB-CD2 4.2Å; L60-F67 HydrophobicContact CB-CG 4.42Å; L60-F67 HydrophobicContact CD2-CD1 4.45Å; L60-F67 HydrophobicContact CD2-CD2 3.97Å; L60-F67 HydrophobicContact CD2-CE1 4.18Å; L60-F67 HydrophobicContact CD2-CE2 3.68Å; L60-F67 HydrophobicContact CD2-CG 4.36Å; L60-F67 HydrophobicContact CD2-CZ 3.81Å; Y63-F67 PolarHBondContact O-N 2.97Å; F67-V74 HydrophobicContact CB-CG1 4.1Å; F67-V74 HydrophobicContact CD1-CG1 3.83Å; F67-V74 HydrophobicContact CG-CG1 4.28Å; F67-L76 HydrophobicContact CD1-CD2 3.54Å; F67-L76 HydrophobicContact CE1-CD2 3.38Å; F67-L76 HydrophobicContact CZ-CD2 4.39Å; F67-K77 VanDerWaalsContact O-CE 3.3Å; F67-K77 WeakPolarHBondContact O-CE 3.5Å
68A87.9Confident85.9Confident20 Ų2062.6 Ų62.617%0.16536%0.355CS..EExtended strand (participates in β ladder)trans-109.5126.3161.900000107.9V74 T75 K77A68-V74 CarbonylContact O-C 3.59Å; A68-V74 WeakPolarHBondContact O-CA 3.16Å; A68-T75 PolarHBondContact N-O 3.45Å; A68-T75 PolarHBondContact O-N 3.42Å; A68-K77 HydrophobicContact CB-CD 4.34Å; A68-K77 HydrophobicContact CB-CG 3.9Å
69I91.1Very high83.9Confident55 Ų5558.7 Ų58.728%0.28234%0.338SS..EExtended strand (participates in β ladder)trans-115109.7178-54.9176.8000107.8I29 A57 L60 A61 Q73 V74I29-I69 HydrophobicContact CD1-CG2 3.59Å; A57-I69 WeakPolarHBondContact O-CD1 3.45Å; L60-I69 HydrophobicContact CB-CD1 3.81Å; A61-I69 HydrophobicContact CB-CD1 4.17Å; I69-Q73 WeakPolarHBondContact CA-O 3.4Å; I69-V74 HydrophobicContact CG1-CG2 4.41Å
70N87.7Confident81.5Confident110 Ų11063.2 Ų63.259%0.58838%0.377SS*.EExtended strand (participates in β ladder)trans-131.5129.5179.2-65.5-26.1000108.9G72 Q73N70-G72 PolarHBondContact O-N 3.37Å; N70-G72 VanDerWaalsContact O-N 3.1Å; N70-Q73 PolarHBondContact N-O 3.48Å; N70-Q73 WeakPolarHBondContact O-CA 3.47Å; N70-Q73 WeakPolarHBondContact O-CB 3.45Å; N70-Q73 PolarHBondContact O-N 3.11Å
71D86.9Confident78.8Confident172 Ų17268.5 Ų68.592%0.9241%0.405SS*.THydrogen-bonded Turntrans47.441.9174.5-58.7-30.5000114.7Q73D71-Q73 PolarHBondContact O-N 3.31Å
72G87.8Confident76Confident39 Ų3968.6 Ų68.640%0.40240%0.399SS..THydrogen-bonded Turntrans774-179.100000115S28 I29 N70S28-G72 CarbonylContact C-O 3.35Å; S28-G72 WeakPolarHBondContact CA-O 3.44Å; I29-G72 PolarHBondContact N-O 3.11Å; N70-G72 PolarHBondContact O-N 3.37Å; N70-G72 VanDerWaalsContact O-N 3.1Å
73Q91.3Very high73.7Confident86 Ų8666.3 Ų66.340%0.40241%0.409SS..EExtended strand (participates in β ladder)trans-103.5131.8174.7-66.3-70.4-33.300110.9R27 I69 N70 D71R27-Q73 PolarHBondContact O-OE1 3.27Å; I69-Q73 WeakPolarHBondContact CA-O 3.4Å; N70-Q73 PolarHBondContact N-O 3.48Å; N70-Q73 WeakPolarHBondContact O-CA 3.47Å; N70-Q73 WeakPolarHBondContact O-CB 3.45Å; N70-Q73 PolarHBondContact O-N 3.11Å; D71-Q73 PolarHBondContact O-N 3.31Å
74V91.4Very high71Confident0 Ų066.8 Ų66.80%042%0.421CS..EExtended strand (participates in β ladder)trans-98.7124.1171-171.50000108.4L20 R26 R27 I29 L32 L60 F67 A68 I69L20-V74 HydrophobicContact CD1-CG1 3.79Å; L20-V74 HydrophobicContact CD2-CB 4.43Å; L20-V74 HydrophobicContact CD2-CG1 4.48Å; R26-V74 WeakPolarHBondContact CA-O 3.02Å; R27-V74 PolarHBondContact N-O 2.96Å; R27-V74 PolarHBondContact O-N 3.35Å; I29-V74 HydrophobicContact CD1-CG2 4.28Å; I29-V74 HydrophobicContact CG1-CG2 3.43Å; I29-V74 VanDerWaalsContact CG1-CG2 3.43Å; L32-V74 HydrophobicContact CD1-CB 3.89Å; L32-V74 HydrophobicContact CD1-CG1 4.42Å; L32-V74 HydrophobicContact CD1-CG2 3.72Å; L60-V74 HydrophobicContact CD1-CG1 4.12Å; L60-V74 HydrophobicContact CD1-CG2 3.92Å; F67-V74 HydrophobicContact CB-CG1 4.1Å; F67-V74 HydrophobicContact CD1-CG1 3.83Å; F67-V74 HydrophobicContact CG-CG1 4.28Å; A68-V74 CarbonylContact O-C 3.59Å; A68-V74 WeakPolarHBondContact O-CA 3.16Å; I69-V74 HydrophobicContact CG1-CG2 4.41Å
75T87.1Confident68.6Low59 Ų5970.2 Ų70.236%0.36243%0.432SS..EExtended strand (participates in β ladder)trans-119.7133.6173.8-44.40000109.3G25 R26 A68 K77G25-T75 CarbonylContact O-C 3.4Å; G25-T75 VanDerWaalsContact O-CA 3.28Å; G25-T75 WeakPolarHBondContact O-CA 3.35Å; R26-T75 HydrophobicContact CB-CG2 4.38Å; A68-T75 PolarHBondContact N-O 3.45Å; A68-T75 PolarHBondContact O-N 3.42Å; T75-K77 PolarHBondContact O-N 2.91Å
76L83Confident66.6Low11 Ų1173.9 Ų73.96%0.05844%0.443CS..EExtended strand (participates in β ladder)trans-70.7118.6172.2-77.6175.9000109.6L17 L20 I21 G25 L66 F67 G78 I79L17-L76 HydrophobicContact CD1-CD1 3.88Å; L17-L76 HydrophobicContact CD1-CD2 3.44Å; L17-L76 VanDerWaalsContact CD1-CD2 3.44Å; L17-L76 HydrophobicContact CD1-CG 4.36Å; L20-L76 HydrophobicContact CB-CD1 3.38Å; L20-L76 HydrophobicContact CB-CD2 4.48Å; L20-L76 HydrophobicContact CB-CG 3.71Å; L20-L76 HydrophobicContact CD1-CD1 4.45Å; L20-L76 HydrophobicContact CD1-CD2 4.07Å; L20-L76 HydrophobicContact CD1-CG 3.95Å; L20-L76 HydrophobicContact CG-CG 4.37Å; I21-L76 HydrophobicContact CG1-CD1 3.81Å; G25-L76 PolarHBondContact O-N 2.95Å; L66-L76 WeakPolarHBondContact O-CA 3.4Å; F67-L76 HydrophobicContact CD1-CD2 3.54Å; F67-L76 HydrophobicContact CE1-CD2 3.38Å; F67-L76 HydrophobicContact CZ-CD2 4.39Å; L76-G78 PolarHBondContact O-N 3.32Å; L76-I79 HydrophobicContact CB-CB 4.13Å; L76-I79 HydrophobicContact CB-CD1 3.7Å; L76-I79 HydrophobicContact CB-CG1 3.83Å; L76-I79 HydrophobicContact CD1-CD1 3.31Å; L76-I79 HydrophobicContact CD1-CG1 4.18Å; L76-I79 HydrophobicContact CG-CD1 4.09Å; L76-I79 PolarHBondContact O-N 3.32Å; L76-I79 VanDerWaalsContact O-N 3.15Å
77K72.9Confident64.4Low107 Ų10772.8 Ų72.847%0.46545%0.447SS..THydrogen-bonded Turntrans-66.9130.6174.8-75.5-175.7-177.2175.40108.5P64 L66 F67 A68 T75P64-K77 WeakPolarHBondContact O-CD 3.39Å; P64-K77 WeakPolarHBondContact O-CE 3.32Å; P64-K77 PolarHBondContact O-NZ 2.94Å; L66-K77 PolarHBondContact O-N 3.41Å; F67-K77 VanDerWaalsContact O-CE 3.3Å; F67-K77 WeakPolarHBondContact O-CE 3.5Å; A68-K77 HydrophobicContact CB-CD 4.34Å; A68-K77 HydrophobicContact CB-CG 3.9Å; T75-K77 PolarHBondContact O-N 2.91Å
78G63.4Low61.5Low32 Ų3282 Ų8233%0.3349%0.487SS..THydrogen-bonded Turntrans76.214.6-174.400000114.3L76 A80 D81 T82L76-G78 PolarHBondContact O-N 3.32Å; G78-A80 VanDerWaalsContact C-N 3.34Å; G78-D81 CarbonylContact O-C 2.93Å; G78-D81 WeakPolarHBondContact O-CA 3.34Å; G78-D81 PolarHBondContact O-N 3.43Å; G78-T82 VanDerWaalsContact O-CA 3.32Å; G78-T82 WeakPolarHBondContact O-CA 3.28Å; G78-T82 WeakPolarHBondContact O-CB 3.34Å; G78-T82 PolarHBondContact O-N 3.38Å; G78-T82 PolarHBondContact O-OG1 2.92Å
79I50.8Low58.6Low52 Ų5284 Ų8427%0.26751%0.51SS..SBendtrans-67.5-29.5169.1-97.2-176.3000114.8I21 L76 D81 T82I21-I79 HydrophobicContact CG1-CD1 4.07Å; L76-I79 HydrophobicContact CB-CB 4.13Å; L76-I79 HydrophobicContact CB-CD1 3.7Å; L76-I79 HydrophobicContact CB-CG1 3.83Å; L76-I79 HydrophobicContact CD1-CD1 3.31Å; L76-I79 HydrophobicContact CD1-CG1 4.18Å; L76-I79 HydrophobicContact CG-CD1 4.09Å; L76-I79 PolarHBondContact O-N 3.32Å; L76-I79 VanDerWaalsContact O-N 3.15Å; I79-D81 PolarHBondContact O-N 3.32Å; I79-T82 WeakPolarHBondContact CA-OG1 3.21Å; I79-T82 WeakPolarHBondContact CG1-OG1 3.4Å; I79-T82 PolarHBondContact N-OG1 3.02Å
80A44.9Very low55.5Low102 Ų10290 Ų9084%0.84354%0.541SS*.THydrogen-bonded Turntrans-63.1-24.316300000111.8G78G78-A80 VanDerWaalsContact C-N 3.34Å
81D36.2Very low52.4Low111 Ų11188.9 Ų88.959%0.59456%0.556SS**THydrogen-bonded Turntrans-111.57-179.4-66.9-35.3000114.1G78 I79 G83 S84 M85G78-D81 CarbonylContact O-C 2.93Å; G78-D81 WeakPolarHBondContact O-CA 3.34Å; G78-D81 PolarHBondContact O-N 3.43Å; I79-D81 PolarHBondContact O-N 3.32Å; D81-G83 VanDerWaalsContact C-N 3.35Å; D81-S84 VanDerWaalsContact C-N 3.34Å; D81-S84 CarbonylContact O-C 3.52Å; D81-S84 VanDerWaalsContact O-C 3.27Å; D81-S84 WeakPolarHBondContact O-CA 3.48Å; D81-S84 WeakPolarHBondContact O-CB 3.25Å; D81-S84 PolarHBondContact O-N 2.9Å; D81-M85 PolarHBondContact O-N 3.04Å
82T33.3Very low49.5Very low60 Ų6084.5 Ų84.537%0.36855%0.552SS.*Hα-helixtrans-93-12.5-174.5-24.40000109.4G78 I79 S84 M85G78-T82 VanDerWaalsContact O-CA 3.32Å; G78-T82 WeakPolarHBondContact O-CA 3.28Å; G78-T82 WeakPolarHBondContact O-CB 3.34Å; G78-T82 PolarHBondContact O-N 3.38Å; G78-T82 PolarHBondContact O-OG1 2.92Å; I79-T82 WeakPolarHBondContact CA-OG1 3.21Å; I79-T82 WeakPolarHBondContact CG1-OG1 3.4Å; I79-T82 PolarHBondContact N-OG1 3.02Å; T82-S84 PolarHBondContact O-N 3.32Å; T82-M85 HydrophobicContact CG2-CB 3.88Å
83G39.2Very low46.5Very low77 Ų7786 Ų8679%0.79457%0.567SS**Hα-helixtrans-58-26.1149.500000112.1D81D81-G83 VanDerWaalsContact C-N 3.35Å
84S33.5Very low43.7Very low67 Ų6794.1 Ų94.147%0.46959%0.594SS.*Hα-helixtrans-97.1-19.6177.8-161.80000114.5D81 T82 L86 G87D81-S84 VanDerWaalsContact C-N 3.34Å; D81-S84 CarbonylContact O-C 3.52Å; D81-S84 VanDerWaalsContact O-C 3.27Å; D81-S84 WeakPolarHBondContact O-CA 3.48Å; D81-S84 WeakPolarHBondContact O-CB 3.25Å; D81-S84 PolarHBondContact O-N 2.9Å; T82-S84 PolarHBondContact O-N 3.32Å; S84-L86 VanDerWaalsContact C-N 3.26Å; S84-L86 PolarHBondContact O-N 2.89Å; S84-G87 CarbonylContact O-C 3.59Å; S84-G87 WeakPolarHBondContact O-CA 3.47Å; S84-G87 PolarHBondContact O-N 3.48Å
85M30.4Very low41Very low153 Ų153105.3 Ų105.375%0.75464%0.636SS**Hα-helixtrans-76.2-14.4-179.2-152-177.5179.700113.5D81 T82 G87D81-M85 PolarHBondContact O-N 3.04Å; T82-M85 HydrophobicContact CG2-CB 3.88Å; M85-G87 VanDerWaalsContact C-N 3.33Å
86L37.2Very low38.8Very low172 Ų172110.7 Ų110.790%0.90166%0.663SS**THydrogen-bonded Turntrans-92.910.1162.1-67.1177.7000113.1S84S84-L86 VanDerWaalsContact C-N 3.26Å; S84-L86 PolarHBondContact O-N 2.89Å
87G28.2Very low37.4Very low38 Ų38119.4 Ų119.439%0.39270%0.695SS.*SBendtrans-137.179.1176.800000110.2S84 M85 G89S84-G87 CarbonylContact O-C 3.59Å; S84-G87 WeakPolarHBondContact O-CA 3.47Å; S84-G87 PolarHBondContact O-N 3.48Å; M85-G87 VanDerWaalsContact C-N 3.33Å; G87-G89 PolarHBondContact O-N 2.95Å
88F27.8Very low37.6Very low198 Ų198119.7 Ų119.787%0.86870%0.701SS**  trans-41.9118.6174.6-78.6-94.5000113
89G25.9Very low38.3Very low63 Ų63120 Ų12065%0.64970%0.699SS**  trans79.9133.6138.800000119.3G87G87-G89 PolarHBondContact O-N 2.95Å
90L25.9Very low39.9Very low180 Ų180120.2 Ų120.294%0.94270%0.702SS**  trans9190.8155.6-49.8176.8000117.6
91G24.4Very low41.9Very low87 Ų87117.8 Ų117.890%0.89768%0.683SS**  60.8114.812100000119.3
92G24.2Very low44.4Very low81 Ų81116.6 Ų116.684%0.83567%0.673SS**  trans121.3103.1144.300000115.7
93G26Very low47.1Very low70 Ų70113.7 Ų113.772%0.72266%0.656SS**  trans70.192.3146.900000116.5R95G93-R95 VanDerWaalsContact C-N 3.27Å; G93-R95 PolarHBondContact O-N 3.22Å
94R31.4Very low49.6Very low257 Ų257111.3 Ų111.397%0.9763%0.625SS**  trans-48.990155.9-72.6165.681.6-171.97.1109.7
95R34.7Very low52.5Low235 Ų235113.4 Ų113.489%0.88763%0.626SS**  trans-80120157.8-80.8-176167.7166.9-2.7106.1G93 R97G93-R95 VanDerWaalsContact C-N 3.27Å; G93-R95 PolarHBondContact O-N 3.22Å; R95-R97 PolarHBondContact O-N 3.23Å
96N41.3Very low55.4Low171 Ų171107.5 Ų107.591%0.91460%0.596SS**  trans-54.175.9179.6-157.423.3000110.7
97R54Low58.2Low195 Ų19599.3 Ų99.374%0.73655%0.553SS**  trans-85.1118.4-175.9-144.2-177.6-148.4175.56.9107.2R95 S99R95-R97 PolarHBondContact O-N 3.23Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 PolarHBondContact O-N 3.04Å
98D77.8Confident61.2Low112 Ų11298.4 Ų98.460%0.59954%0.54SS*.  trans-78.383.1-175.6-151.6-8.2000109.5V100 A101 E102D98-V100 PolarHBondContact O-N 3.29Å; D98-V100 VanDerWaalsContact O-N 3.13Å; D98-A101 HydrophobicContact CB-CB 4.08Å; D98-A101 WeakPolarHBondContact O-CB 3.41Å; D98-A101 PolarHBondContact O-N 2.93Å; D98-E102 PolarHBondContact O-N 2.76Å; D98-E102 VanDerWaalsContact O-N 3.11Å
99S77.8Confident64.2Low40 Ų4093.8 Ų93.828%0.2852%0.521SS..Hα-helixtrans-60.4-24.8-171.623.40000113.1R97 A103R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 PolarHBondContact O-N 3.04Å; S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.97Å
100V84.2Confident67.2Low55 Ų5592.1 Ų92.133%0.33350%0.496SS..Hα-helixtrans-67.7-46.2172.2179.80000111.1D98 E102 A103 V104 V137 F148 H152D98-V100 PolarHBondContact O-N 3.29Å; D98-V100 VanDerWaalsContact O-N 3.13Å; V100-E102 VanDerWaalsContact C-N 3.35Å; V100-E102 PolarHBondContact O-N 3.46Å; V100-A103 WeakPolarHBondContact O-CB 3.39Å; V100-A103 PolarHBondContact O-N 2.87Å; V100-V104 WeakPolarHBondContact O-CG2 3.49Å; V100-V104 PolarHBondContact O-N 2.96Å; V100-V137 HydrophobicContact CG2-CB 4.46Å; V100-V137 HydrophobicContact CG2-CG1 4.41Å; V100-F148 HydrophobicContact CG1-CE2 4.46Å; V100-H152 WeakPolarHBondContact CG1-NE2 3.1Å
101A86.8Confident70.1Confident52 Ų5283.6 Ų83.643%0.4345%0.451SS..Hα-helixtrans-64-40.7178.100000111.7D98 A103 V104 K105D98-A101 HydrophobicContact CB-CB 4.08Å; D98-A101 WeakPolarHBondContact O-CB 3.41Å; D98-A101 PolarHBondContact O-N 2.93Å; A101-A103 VanDerWaalsContact C-N 3.33Å; A101-A103 PolarHBondContact O-N 3.04Å; A101-V104 PolarHBondContact O-N 3.44Å; A101-K105 WeakPolarHBondContact O-CB 3.35Å; A101-K105 PolarHBondContact O-N 3.29Å
102E87.8Confident72.9Confident85 Ų8585.7 Ų85.740%0.39743%0.432SS..Hα-helixtrans-63.1-38.4174-67.8-62.7152.900112D98 V100 K105 F106 I134D98-E102 PolarHBondContact O-N 2.76Å; D98-E102 VanDerWaalsContact O-N 3.11Å; V100-E102 VanDerWaalsContact C-N 3.35Å; V100-E102 PolarHBondContact O-N 3.46Å; E102-K105 PolarHBondContact O-N 2.88Å; E102-F106 WeakPolarHBondContact O-CB 3.49Å; E102-F106 PolarHBondContact O-N 3.2Å; E102-I134 HydrophobicContact CB-CD1 4.44Å; E102-I134 HydrophobicContact CB-CG1 4.45Å
103A90.2Very high75.6Confident0 Ų087.3 Ų87.30%042%0.416CS..Hα-helixtrans-64.3-46.3175.600000111.9S99 V100 A101 K105 F106 F107 I134 V137 F148S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.97Å; V100-A103 WeakPolarHBondContact O-CB 3.39Å; V100-A103 PolarHBondContact O-N 2.87Å; A101-A103 VanDerWaalsContact C-N 3.33Å; A101-A103 PolarHBondContact O-N 3.04Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 3.33Å; A103-F106 PolarHBondContact O-N 2.79Å; A103-F107 HydrophobicContact CB-CE2 4.46Å; A103-F107 WeakPolarHBondContact O-CD2 3.49Å; A103-F107 PolarHBondContact O-N 3.49Å; A103-F107 VanDerWaalsContact O-N 3.11Å; A103-I134 HydrophobicContact CB-CB 4.25Å; A103-I134 HydrophobicContact CB-CG1 4.11Å; A103-I134 HydrophobicContact CB-CG2 3.75Å; A103-V137 HydrophobicContact CB-CG2 3.54Å; A103-F148 HydrophobicContact CB-CE1 4.45Å; A103-F148 HydrophobicContact CB-CE2 4.33Å; A103-F148 HydrophobicContact CB-CZ 3.67Å
104V92.8Very high78.1Confident26 Ų2686.4 Ų86.416%0.15839%0.392CS..Hα-helixtrans-57.5-49175.11740000110.3V100 A101 F106 F107 V108 F148 H152 A155 F156V100-V104 WeakPolarHBondContact O-CG2 3.49Å; V100-V104 PolarHBondContact O-N 2.96Å; A101-V104 PolarHBondContact O-N 3.44Å; V104-F106 PolarHBondContact O-N 2.98Å; V104-F107 PolarHBondContact O-N 2.77Å; V104-V108 HydrophobicContact CG1-CG2 4.32Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.46Å; V104-V108 PolarHBondContact O-N 3.08Å; V104-F148 HydrophobicContact CG2-CZ 4.27Å; V104-H152 HydrophobicContact CG2-CB 4.25Å; V104-H152 VanDerWaalsContact CG2-CD2 3.4Å; V104-H152 WeakPolarHBondContact CG2-CD2 3.46Å; V104-A155 HydrophobicContact CG1-CB 3.64Å; V104-F156 HydrophobicContact CB-CE2 4.48Å; V104-F156 HydrophobicContact CG1-CE2 4.05Å; V104-F156 HydrophobicContact CG1-CZ 4.15Å; V104-F156 HydrophobicContact CG2-CE2 4.36Å
105K92.8Very high80.1Confident112 Ų11274.2 Ų74.249%0.48735%0.347SS..Hα-helixtrans-58-46178.6-175.4-178.1174.3-172.20112.1A101 E102 A103 F107 V108 E109A101-K105 WeakPolarHBondContact O-CB 3.35Å; A101-K105 PolarHBondContact O-N 3.29Å; E102-K105 PolarHBondContact O-N 2.88Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 3.33Å; K105-F107 PolarHBondContact O-N 3.47Å; K105-V108 PolarHBondContact O-N 3.28Å; K105-E109 WeakPolarHBondContact CE-OE1 3.4Å; K105-E109 WeakPolarHBondContact O-CG 3.39Å; K105-E109 PolarHBondContact O-N 3.11Å
106F93.3Very high82.2Confident29 Ų2964.2 Ų64.213%0.12731%0.312CS..Hα-helixtrans-57.7-48.5178.5173.6-91.4000112.3E102 A103 V104 V108 E109 K110 H126 Q129 A130 I134E102-F106 WeakPolarHBondContact O-CB 3.49Å; E102-F106 PolarHBondContact O-N 3.2Å; A103-F106 PolarHBondContact O-N 2.79Å; V104-F106 PolarHBondContact O-N 2.98Å; F106-V108 VanDerWaalsContact C-N 3.35Å; F106-E109 PolarHBondContact O-N 3.45Å; F106-K110 HydrophobicContact CD1-CG 4.38Å; F106-K110 HydrophobicContact CE1-CG 4Å; F106-K110 HydrophobicContact CZ-CD 4.37Å; F106-K110 HydrophobicContact CZ-CG 4.16Å; F106-K110 WeakPolarHBondContact O-CG 3.35Å; F106-K110 PolarHBondContact O-N 3.37Å; F106-H126 WeakPolarHBondContact CZ-O 3.43Å; F106-Q129 HydrophobicContact CZ-CB 4.42Å; F106-A130 HydrophobicContact CD1-CB 3.95Å; F106-A130 HydrophobicContact CD2-CB 4.26Å; F106-A130 HydrophobicContact CE1-CB 3.53Å; F106-A130 HydrophobicContact CE2-CB 3.84Å; F106-A130 HydrophobicContact CG-CB 4.3Å; F106-A130 HydrophobicContact CZ-CB 3.45Å; F106-A130 VanDerWaalsContact CZ-CB 3.45Å; F106-I134 HydrophobicContact CB-CD1 3.83Å; F106-I134 HydrophobicContact CD1-CG2 4.23Å; F106-I134 HydrophobicContact CD2-CD1 4.34Å; F106-I134 HydrophobicContact CG-CD1 4.13Å; F106-I134 HydrophobicContact CG-CG2 4.46Å
107F94Very high84.1Confident0 Ų057.2 Ų57.20%027%0.274CS..Hα-helixtrans-70.7-32.1-179.8-67.2-61.4000112.5A103 V104 K105 K110 L111 L123 R127 I134 F145 F148 F156A103-F107 HydrophobicContact CB-CE2 4.46Å; A103-F107 WeakPolarHBondContact O-CD2 3.49Å; A103-F107 PolarHBondContact O-N 3.49Å; A103-F107 VanDerWaalsContact O-N 3.11Å; V104-F107 PolarHBondContact O-N 2.77Å; K105-F107 PolarHBondContact O-N 3.47Å; F107-K110 PolarHBondContact O-N 3.22Å; F107-L111 PolarHBondContact O-N 3.43Å; F107-L123 HydrophobicContact CB-CD2 4.31Å; F107-L123 HydrophobicContact CD1-CD1 4.01Å; F107-L123 HydrophobicContact CD1-CD2 4.23Å; F107-L123 HydrophobicContact CD1-CG 3.9Å; F107-R127 HydrophobicContact CE1-CB 3.99Å; F107-R127 HydrophobicContact CZ-CB 4.05Å; F107-R127 HydrophobicContact CZ-CG 4.07Å; F107-I134 HydrophobicContact CE2-CG2 4.03Å; F107-I134 HydrophobicContact CZ-CG2 4.2Å; F107-F145 HydrophobicContact CD1-CE2 4.14Å; F107-F145 AromaticContact CD1-CZ 3.94Å; F107-F145 HydrophobicContact CD1-CZ 3.94Å; F107-F145 HydrophobicContact CD2-CE2 4.21Å; F107-F145 AromaticContact CE1-CE2 3.61Å; F107-F145 HydrophobicContact CE1-CE2 3.61Å; F107-F145 AromaticContact CE1-CZ 3.69Å; F107-F145 HydrophobicContact CE1-CZ 3.69Å; F107-F145 AromaticContact CE2-CE2 3.72Å; F107-F145 HydrophobicContact CE2-CE2 3.72Å; F107-F145 HydrophobicContact CE2-CZ 4.46Å; F107-F145 HydrophobicContact CG-CE2 4.43Å; F107-F145 HydrophobicContact CG-CZ 4.44Å; F107-F145 HydrophobicContact CZ-CD2 4.39Å; F107-F145 AromaticContact CZ-CE2 3.4Å; F107-F145 HydrophobicContact CZ-CE2 3.4Å; F107-F145 VanDerWaalsContact CZ-CE2 3.4Å; F107-F145 AromaticContact CZ-CZ 3.99Å; F107-F145 HydrophobicContact CZ-CZ 3.99Å; F107-F148 AromaticContact CD2-CE1 3.92Å; F107-F148 HydrophobicContact CD2-CE1 3.92Å; F107-F148 HydrophobicContact CE2-CE1 4.01Å; F107-F156 HydrophobicContact CB-CE1 3.96Å; F107-F156 HydrophobicContact CB-CZ 3.69Å
108V92.3Very high85.5Confident18 Ų1848.6 Ų48.611%0.10924%0.243CC..Hα-helixtrans-61.4-45.7171.3168.30000111V104 K105 F106 K110 L111 R112 A155 F156 L165V104-V108 HydrophobicContact CG1-CG2 4.32Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.46Å; V104-V108 PolarHBondContact O-N 3.08Å; K105-V108 PolarHBondContact O-N 3.28Å; F106-V108 VanDerWaalsContact C-N 3.35Å; V108-K110 VanDerWaalsContact C-N 3.32Å; V108-K110 PolarHBondContact O-N 2.84Å; V108-L111 PolarHBondContact O-N 2.84Å; V108-R112 WeakPolarHBondContact O-CG 3.29Å; V108-R112 PolarHBondContact O-N 2.74Å; V108-A155 HydrophobicContact CG2-CB 4.14Å; V108-F156 HydrophobicContact CG2-CE1 3.83Å; V108-F156 HydrophobicContact CG2-CZ 3.93Å; V108-L165 HydrophobicContact CB-CD2 4.09Å; V108-L165 HydrophobicContact CG1-CD2 3.94Å; V108-L165 HydrophobicContact CG2-CD2 3.78Å
109E90.5Very high85.9Confident102 Ų10245.1 Ų45.148%0.47723%0.226SC..Hα-helixtrans-62.9-37.2176.6-74176.3-172.700112.3K105 F106 R112 K113K105-E109 WeakPolarHBondContact CE-OE1 3.4Å; K105-E109 WeakPolarHBondContact O-CG 3.39Å; K105-E109 PolarHBondContact O-N 3.11Å; F106-E109 PolarHBondContact O-N 3.45Å; E109-R112 PolarHBondContact O-N 2.74Å; E109-K113 WeakPolarHBondContact O-CB 3.22Å; E109-K113 PolarHBondContact O-N 2.99Å
110K88.6Confident86.3Confident28 Ų2843.9 Ų43.912%0.12222%0.216CC..Hα-helixtrans-65.4-43.6175.3-67.6-67.6176.6-176.90112.2F106 F107 V108 K113 F114 L123 H126F106-K110 HydrophobicContact CD1-CG 4.38Å; F106-K110 HydrophobicContact CE1-CG 4Å; F106-K110 HydrophobicContact CZ-CD 4.37Å; F106-K110 HydrophobicContact CZ-CG 4.16Å; F106-K110 WeakPolarHBondContact O-CG 3.35Å; F106-K110 PolarHBondContact O-N 3.37Å; F107-K110 PolarHBondContact O-N 3.22Å; V108-K110 VanDerWaalsContact C-N 3.32Å; V108-K110 PolarHBondContact O-N 2.84Å; K110-K113 PolarHBondContact O-N 2.98Å; K110-F114 HydrophobicContact CB-CD2 4.5Å; K110-F114 HydrophobicContact CD-CD2 4.33Å; K110-F114 HydrophobicContact CD-CE2 3.83Å; K110-F114 VanDerWaalsContact O-CD2 3.32Å; K110-F114 WeakPolarHBondContact O-CD2 3.38Å; K110-F114 PolarHBondContact O-N 3.03Å; K110-L123 HydrophobicContact CB-CD1 3.77Å; K110-H126 HydrophobicContact CD-CB 4.03Å; K110-H126 HydrophobicContact CG-CB 4.16Å
111L86.7Confident86.4Confident0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-62.2-45.2173.3-75164.4000110.7F107 V108 K113 F114 G115 L118 L123 F156 V163 L165F107-L111 PolarHBondContact O-N 3.43Å; V108-L111 PolarHBondContact O-N 2.84Å; L111-K113 PolarHBondContact O-N 2.9Å; L111-F114 PolarHBondContact O-N 3.19Å; L111-G115 CarbonylContact C-O 3.6Å; L111-G115 CarbonylContact O-C 3.56Å; L111-G115 WeakPolarHBondContact O-CA 3.44Å; L111-G115 PolarHBondContact O-N 2.94Å; L111-L118 HydrophobicContact CD2-CB 3.88Å; L111-L118 HydrophobicContact CD2-CD1 3.84Å; L111-L118 HydrophobicContact CD2-CG 3.81Å; L111-L123 HydrophobicContact CD1-CD2 4.26Å; L111-L123 HydrophobicContact CG-CD1 4.33Å; L111-L123 HydrophobicContact CG-CD2 4.32Å; L111-F156 HydrophobicContact CD1-CD1 3.89Å; L111-F156 HydrophobicContact CD1-CE1 3.94Å; L111-V163 HydrophobicContact CD1-CG2 4.34Å; L111-V163 HydrophobicContact CD2-CG1 4.41Å; L111-L165 HydrophobicContact CB-CD1 3.82Å; L111-L165 HydrophobicContact CB-CD2 4.06Å; L111-L165 HydrophobicContact CB-CG 3.73Å; L111-L165 HydrophobicContact CD1-CD2 3.7Å; L111-L165 HydrophobicContact CD1-CG 3.86Å; L111-L165 HydrophobicContact CG-CG 4.4Å
112R84.1Confident86.3Confident132 Ų13248.5 Ų48.550%0.49823%0.229SC..Hα-helixtrans-59.9-33.8175.1-71179.7177.1160.3-0.9113.2V108 E109 L165 E167V108-R112 WeakPolarHBondContact O-CG 3.29Å; V108-R112 PolarHBondContact O-N 2.74Å; E109-R112 PolarHBondContact O-N 2.74Å; R112-L165 HydrophobicContact CG-CD1 3.68Å; R112-E167 IonicContact CZ-OE2 3.75Å; R112-E167 IonicContact NE-OE2 4Å; R112-E167 IonicContact NH2-OE1 3.42Å; R112-E167 PolarHBondContact NH2-OE1 3.43Å; R112-E167 IonicContact NH2-OE2 2.71Å; R112-E167 PolarHBondContact NH2-OE2 3.37Å
113K79.9Confident86.3Confident115 Ų11544.5 Ų44.550%0.521%0.21SC..Hα-helixtrans-75.7-48.1-179.7-174.2174.6-178.7177.50113.1E109 K110 L111E109-K113 WeakPolarHBondContact O-CB 3.22Å; E109-K113 PolarHBondContact O-N 2.99Å; K110-K113 PolarHBondContact O-N 2.98Å; L111-K113 PolarHBondContact O-N 2.9Å
114F79.6Confident86Confident50 Ų5046.1 Ų46.122%0.21922%0.218CC..Hα-helixtrans-99.4-10.6-169.9-65.7-70000114.1K110 L111 L118 H126K110-F114 HydrophobicContact CB-CD2 4.5Å; K110-F114 HydrophobicContact CD-CD2 4.33Å; K110-F114 HydrophobicContact CD-CE2 3.83Å; K110-F114 VanDerWaalsContact O-CD2 3.32Å; K110-F114 WeakPolarHBondContact O-CD2 3.38Å; K110-F114 PolarHBondContact O-N 3.03Å; L111-F114 PolarHBondContact O-N 3.19Å; F114-L118 HydrophobicContact CB-CD1 3.95Å; F114-L118 HydrophobicContact CB-CD2 4.2Å; F114-H126 AromaticContact CD2-CE1 3.71Å; F114-H126 AromaticContact CD2-NE2 3.55Å; F114-H126 AromaticContact CE2-CE1 3.34Å; F114-H126 WeakPolarHBondContact CE2-CE1 3.36Å; F114-H126 AromaticContact CE2-ND1 3.67Å; F114-H126 AromaticContact CE2-NE2 3.69Å; F114-H126 AromaticContact CG-NE2 3.98Å; F114-H126 AromaticContact CZ-CE1 3.58Å
115G73.3Confident85.4Confident1 Ų146.8 Ų46.81%0.0123%0.231CC..  trans135.7142.6177.800000110.9L111 E117L111-G115 CarbonylContact C-O 3.6Å; L111-G115 CarbonylContact O-C 3.56Å; L111-G115 WeakPolarHBondContact O-CA 3.44Å; L111-G115 PolarHBondContact O-N 2.94Å; G115-E117 PolarHBondContact O-N 2.71Å
116P77.8Confident85Confident25 Ų2542.7 Ų42.716%0.16221%0.214CC..SBendtrans-60.3-12.6-172.224.6-34.8000114.2C164 L165 A168P116-C164 WeakPolarHBondContact O-CA 3.32Å; P116-L165 PolarHBondContact O-N 3.04Å; P116-L165 VanDerWaalsContact O-N 3.11Å; P116-A168 HydrophobicContact CB-CB 3.66Å
117E81Confident84.5Confident25 Ų2543.4 Ų43.412%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-136.9128178.1174.9-177.7-163.800110.1G115 R162 V163 C164 R228G115-E117 PolarHBondContact O-N 2.71Å; E117-R162 HydrophobicContact CG-CB 4.34Å; E117-R162 WeakPolarHBondContact OE1-CD 3.34Å; E117-V163 WeakPolarHBondContact CA-O 3.39Å; E117-C164 WeakPolarHBondContact CG-SG 3.11Å; E117-R228 IonicContact OE2-CZ 2.77Å; E117-R228 IonicContact OE2-NH2 3.4Å; E117-R228 PolarHBondContact OE2-NH2 2.84Å
118L85.3Confident83.5Confident13 Ų1344.7 Ų44.77%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-134.8153.4175.7-68.2172.8000111.4L111 F114 L123 R162 V163L111-L118 HydrophobicContact CD2-CB 3.88Å; L111-L118 HydrophobicContact CD2-CD1 3.84Å; L111-L118 HydrophobicContact CD2-CG 3.81Å; F114-L118 HydrophobicContact CB-CD1 3.95Å; F114-L118 HydrophobicContact CB-CD2 4.2Å; L118-L123 HydrophobicContact CD1-CD1 4.22Å; L118-R162 WeakPolarHBondContact O-CA 3.43Å; L118-V163 PolarHBondContact N-O 2.93Å; L118-V163 WeakPolarHBondContact O-CG1 3.41Å; L118-V163 PolarHBondContact O-N 3.35Å
119P86Confident82.7Confident39 Ų3949.3 Ų49.325%0.25324%0.244SC..EExtended strand (participates in β ladder)trans-58.6138.7164.7-20.832.7000110.9K121 S122 L123P119-K121 PolarHBondContact O-N 3.19Å; P119-S122 WeakPolarHBondContact O-CA 3.3Å; P119-S122 WeakPolarHBondContact O-CB 3.37Å; P119-S122 PolarHBondContact O-N 2.83Å; P119-L123 PolarHBondContact O-N 3.02Å
120I86.2Confident81.9Confident14 Ų1444.8 Ų44.87%0.07223%0.225CC..Hα-helixtrans-56.3-39.8179.8-64.2167.4000110.3S122 L123 L124 L142 F145 A146 L149 L158 D161 V163I120-S122 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 2.9Å; I120-L123 PolarHBondContact O-N 2.76Å; I120-L124 VanDerWaalsContact O-CB 3.3Å; I120-L124 WeakPolarHBondContact O-CB 3.5Å; I120-L124 PolarHBondContact O-N 3Å; I120-L142 HydrophobicContact CB-CD1 4.5Å; I120-L142 HydrophobicContact CG2-CD1 3.76Å; I120-F145 HydrophobicContact CG2-CD1 3.86Å; I120-F145 HydrophobicContact CG2-CE1 4.19Å; I120-A146 HydrophobicContact CG2-CB 4.42Å; I120-L149 HydrophobicContact CG2-CD1 4.37Å; I120-L158 HydrophobicContact CD1-CD2 4.02Å; I120-L158 HydrophobicContact CD1-CG 4.49Å; I120-D161 WeakPolarHBondContact CG1-O 3.34Å; I120-D161 PolarHBondContact N-O 3.28Å; I120-V163 HydrophobicContact CG1-CB 4.27Å; I120-V163 HydrophobicContact CG1-CG1 4.32Å
121K84.8Confident81.4Confident153 Ų15345.8 Ų45.867%0.66524%0.235SC*.Hα-helixtrans-60.8-37.8175.4-67.9-178.9-179.61760112.9P119 G125 L142P119-K121 PolarHBondContact O-N 3.19Å; K121-G125 PolarHBondContact O-N 2.99Å; K121-L142 HydrophobicContact CD-CD2 4.43Å; K121-L142 HydrophobicContact CG-CD1 3.77Å; K121-L142 HydrophobicContact CG-CD2 3.92Å
122S84.3Confident80.4Confident52 Ų5250 Ų5036%0.36426%0.263SS..Hα-helixtrans-71-43.1178-166.20000111.2P119 I120 L124 G125 H126P119-S122 WeakPolarHBondContact O-CA 3.3Å; P119-S122 WeakPolarHBondContact O-CB 3.37Å; P119-S122 PolarHBondContact O-N 2.83Å; I120-S122 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 2.9Å; S122-L124 VanDerWaalsContact C-N 3.32Å; S122-G125 WeakPolarHBondContact O-CA 3.45Å; S122-G125 PolarHBondContact O-N 3.13Å; S122-G125 VanDerWaalsContact O-N 3.1Å; S122-H126 PolarHBondContact O-CD2 3.42Å; S122-H126 VanDerWaalsContact O-CD2 3.27Å; S122-H126 PolarHBondContact O-N 3.3Å
123L88.4Confident79.8Confident0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-66.1-37176.3-170.165.2000111.8F107 K110 L111 L118 P119 I120 G125 H126 R127 F145 L149 V163F107-L123 HydrophobicContact CB-CD2 4.31Å; F107-L123 HydrophobicContact CD1-CD1 4.01Å; F107-L123 HydrophobicContact CD1-CD2 4.23Å; F107-L123 HydrophobicContact CD1-CG 3.9Å; K110-L123 HydrophobicContact CB-CD1 3.77Å; L111-L123 HydrophobicContact CD1-CD2 4.26Å; L111-L123 HydrophobicContact CG-CD1 4.33Å; L111-L123 HydrophobicContact CG-CD2 4.32Å; L118-L123 HydrophobicContact CD1-CD1 4.22Å; P119-L123 PolarHBondContact O-N 3.02Å; I120-L123 PolarHBondContact O-N 2.76Å; L123-G125 VanDerWaalsContact C-N 3.26Å; L123-G125 PolarHBondContact O-N 3.41Å; L123-H126 WeakPolarHBondContact O-CB 3.08Å; L123-H126 PolarHBondContact O-N 3.11Å; L123-H126 VanDerWaalsContact O-N 3.08Å; L123-R127 PolarHBondContact O-N 3.07Å; L123-F145 HydrophobicContact CB-CE1 4.19Å; L123-F145 HydrophobicContact CB-CZ 4.39Å; L123-F145 HydrophobicContact CD2-CE1 4.39Å; L123-F145 HydrophobicContact CD2-CZ 4.05Å; L123-F145 HydrophobicContact CG-CE1 4.26Å; L123-F145 HydrophobicContact CG-CZ 3.95Å; L123-L149 HydrophobicContact CD2-CD1 4.36Å; L123-L149 HydrophobicContact CD2-CD2 4.34Å; L123-V163 HydrophobicContact CB-CG1 4.32Å; L123-V163 HydrophobicContact CD2-CG1 3.59Å
124L84.7Confident79.9Confident34 Ų3443.4 Ų43.418%0.17824%0.243CC..Hα-helixtrans-60.8-36.6170.6-178.365.3000111.5I120 S122 H126 R127 L142 F145I120-L124 VanDerWaalsContact O-CB 3.3Å; I120-L124 WeakPolarHBondContact O-CB 3.5Å; I120-L124 PolarHBondContact O-N 3Å; S122-L124 VanDerWaalsContact C-N 3.32Å; L124-H126 VanDerWaalsContact C-N 3.28Å; L124-H126 PolarHBondContact O-N 3.08Å; L124-R127 HydrophobicContact CD1-CB 4.4Å; L124-R127 WeakPolarHBondContact O-CB 3.25Å; L124-R127 PolarHBondContact O-N 3.27Å; L124-R127 VanDerWaalsContact O-N 3.08Å; L124-L142 HydrophobicContact CD2-CB 4.05Å; L124-L142 HydrophobicContact CD2-CD1 3.85Å; L124-F145 HydrophobicContact CB-CD1 3.66Å; L124-F145 HydrophobicContact CB-CE1 3.83Å; L124-F145 HydrophobicContact CB-CG 4.4Å; L124-F145 HydrophobicContact CD1-CB 3.68Å; L124-F145 HydrophobicContact CD1-CD1 3.72Å; L124-F145 HydrophobicContact CD1-CD2 4.11Å; L124-F145 HydrophobicContact CD1-CE1 4.37Å; L124-F145 HydrophobicContact CD1-CG 3.56Å; L124-F145 HydrophobicContact CG-CD1 4.21Å
125G80.8Confident79.8Confident41 Ų4145.6 Ų45.642%0.42325%0.249SC..Hα-helixtrans-57.9-40.7171.900000112.3K121 S122 L123 R127 S128K121-G125 PolarHBondContact O-N 2.99Å; S122-G125 WeakPolarHBondContact O-CA 3.45Å; S122-G125 PolarHBondContact O-N 3.13Å; S122-G125 VanDerWaalsContact O-N 3.1Å; L123-G125 VanDerWaalsContact C-N 3.26Å; L123-G125 PolarHBondContact O-N 3.41Å; G125-R127 PolarHBondContact O-N 3.28Å; G125-S128 PolarHBondContact O-N 3.1Å; G125-S128 PolarHBondContact O-OG 3.43Å
126H83.3Confident79.8Confident26 Ų2654 Ų5412%0.1229%0.286CS..Hα-helixtrans-69.4-17.4176.3-64.2-58.6000114.3F106 K110 F114 S122 L123 L124 S128 Q129F106-H126 WeakPolarHBondContact CZ-O 3.43Å; K110-H126 HydrophobicContact CD-CB 4.03Å; K110-H126 HydrophobicContact CG-CB 4.16Å; F114-H126 AromaticContact CD2-CE1 3.71Å; F114-H126 AromaticContact CD2-NE2 3.55Å; F114-H126 AromaticContact CE2-CE1 3.34Å; F114-H126 WeakPolarHBondContact CE2-CE1 3.36Å; F114-H126 AromaticContact CE2-ND1 3.67Å; F114-H126 AromaticContact CE2-NE2 3.69Å; F114-H126 AromaticContact CG-NE2 3.98Å; F114-H126 AromaticContact CZ-CE1 3.58Å; S122-H126 PolarHBondContact O-CD2 3.42Å; S122-H126 VanDerWaalsContact O-CD2 3.27Å; S122-H126 PolarHBondContact O-N 3.3Å; L123-H126 WeakPolarHBondContact O-CB 3.08Å; L123-H126 PolarHBondContact O-N 3.11Å; L123-H126 VanDerWaalsContact O-N 3.08Å; L124-H126 VanDerWaalsContact C-N 3.28Å; L124-H126 PolarHBondContact O-N 3.08Å; H126-S128 PolarHBondContact O-N 2.88Å; H126-Q129 WeakPolarHBondContact O-CB 3.38Å; H126-Q129 PolarHBondContact O-N 3.28Å; H126-Q129 VanDerWaalsContact O-N 3.14Å
127R82.8Confident79.9Confident44 Ų4454.7 Ų54.717%0.16629%0.29CS..G310 helixtrans-59.6-29.5174.2179.2-172.1156.6-94.81.8111.8F107 L123 L124 G125 Q129 A130 R135 S138 G139F107-R127 HydrophobicContact CE1-CB 3.99Å; F107-R127 HydrophobicContact CZ-CB 4.05Å; F107-R127 HydrophobicContact CZ-CG 4.07Å; L123-R127 PolarHBondContact O-N 3.07Å; L124-R127 HydrophobicContact CD1-CB 4.4Å; L124-R127 WeakPolarHBondContact O-CB 3.25Å; L124-R127 PolarHBondContact O-N 3.27Å; L124-R127 VanDerWaalsContact O-N 3.08Å; G125-R127 PolarHBondContact O-N 3.28Å; R127-Q129 PolarHBondContact O-N 3.1Å; R127-Q129 VanDerWaalsContact O-N 3.16Å; R127-A130 WeakPolarHBondContact O-CB 3.42Å; R127-A130 PolarHBondContact O-N 2.96Å; R127-R135 HydrophobicContact CG-CG 4.05Å; R127-R135 PolarHBondContact NE-O 3.33Å; R127-R135 PolarHBondContact NH2-O 3.01Å; R127-R135 WeakPolarHBondContact O-CD 3.47Å; R127-R135 VanDerWaalsContact O-CG 3.27Å; R127-R135 WeakPolarHBondContact O-CG 3.29Å; R127-S138 WeakPolarHBondContact CD-OG 3.45Å; R127-S138 PolarHBondContact NE-OG 3.45Å; R127-S138 VanDerWaalsContact NE-OG 3.07Å; R127-G139 PolarHBondContact NE-O 3.01Å; R127-G139 PolarHBondContact NH2-O 3.39Å
128S72.7Confident79.8Confident26 Ų2653.6 Ų53.618%0.18229%0.285CS..G310 helixtrans-60.8-25.7178.3670000112.9G125 H126 A130 E343G125-S128 PolarHBondContact O-N 3.1Å; G125-S128 PolarHBondContact O-OG 3.43Å; H126-S128 PolarHBondContact O-N 2.88Å; S128-A130 VanDerWaalsContact C-N 3.32Å; S128-E343 WeakPolarHBondContact CB-OE1 3.19Å; S128-E343 PolarHBondContact OG-OE1 3.34Å; S128-E343 PolarHBondContact OG-OE2 3.13Å; S128-E343 VanDerWaalsContact OG-OE2 3.04Å
129Q76.5Confident79.1Confident115 Ų11553.7 Ų53.754%0.53729%0.289SS..G310 helixtrans-84.3-3176.5-53.51741000113.4F106 H126 R127F106-Q129 HydrophobicContact CZ-CB 4.42Å; H126-Q129 WeakPolarHBondContact O-CB 3.38Å; H126-Q129 PolarHBondContact O-N 3.28Å; H126-Q129 VanDerWaalsContact O-N 3.14Å; R127-Q129 PolarHBondContact O-N 3.1Å; R127-Q129 VanDerWaalsContact O-N 3.16Å
130A74.1Confident78.1Confident7 Ų755.5 Ų55.56%0.05830%0.301CS..SBendtrans-84.4161-17900000111.6F106 R127 S128 I134 R135F106-A130 HydrophobicContact CD1-CB 3.95Å; F106-A130 HydrophobicContact CD2-CB 4.26Å; F106-A130 HydrophobicContact CE1-CB 3.53Å; F106-A130 HydrophobicContact CE2-CB 3.84Å; F106-A130 HydrophobicContact CG-CB 4.3Å; F106-A130 HydrophobicContact CZ-CB 3.45Å; F106-A130 VanDerWaalsContact CZ-CB 3.45Å; R127-A130 WeakPolarHBondContact O-CB 3.42Å; R127-A130 PolarHBondContact O-N 2.96Å; S128-A130 VanDerWaalsContact C-N 3.32Å; A130-I134 HydrophobicContact CB-CB 3.77Å; A130-I134 HydrophobicContact CB-CD1 4.43Å; A130-I134 HydrophobicContact CB-CG2 3.46Å; A130-I134 VanDerWaalsContact CB-CG2 3.46Å; A130-R135 HydrophobicContact CB-CG 4.09Å; A130-R135 PolarHBondContact O-NE 3.38Å
131S76.5Confident77.3Confident50 Ų5060.8 Ų60.835%0.3533%0.326SS..  trans-59.9157.2174.470.30000111.5D133 I134 R135S131-D133 PolarHBondContact O-N 3.02Å; S131-I134 PolarHBondContact O-N 3.28Å; S131-I134 VanDerWaalsContact O-N 3.16Å; S131-I134 WeakPolarHBondContact OG-CD1 3.4Å; S131-I134 VanDerWaalsContact OG-CG1 3.29Å; S131-I134 WeakPolarHBondContact OG-CG1 3.43Å; S131-I134 PolarHBondContact OG-N 3.49Å; S131-R135 WeakPolarHBondContact O-CG 3.27Å; S131-R135 PolarHBondContact O-N 3.35Å
132P66Low76.8Confident88 Ų8856.8 Ų56.857%0.57131%0.311SS*.Hα-helixtrans-50.8-43.1175.4-25.233.2000113.2I134 R135 F136P132-I134 PolarHBondContact O-N 3.38Å; P132-R135 PolarHBondContact O-N 2.83Å; P132-F136 WeakPolarHBondContact O-CB 3.3Å; P132-F136 PolarHBondContact O-N 3.1Å
133D72.3Confident76.4Confident96 Ų9663.7 Ų63.751%0.51333%0.329SS..Hα-helixtrans-62.2-45178.9-60.8-37.2000112S131 R135 F136 V137S131-D133 PolarHBondContact O-N 3.02Å; D133-R135 VanDerWaalsContact C-N 3.34Å; D133-R135 PolarHBondContact O-N 3.25Å; D133-F136 WeakPolarHBondContact O-CB 3.5Å; D133-F136 PolarHBondContact O-N 3.42Å; D133-V137 WeakPolarHBondContact O-CG2 3.44Å; D133-V137 PolarHBondContact O-N 3.2Å
134I81.1Confident75.9Confident13 Ų1366.7 Ų66.77%0.06735%0.345CS..Hα-helixtrans-63.3-44177.3-66.8170000110.2E102 A103 F106 F107 A130 S131 P132 F136 V137 S138E102-I134 HydrophobicContact CB-CD1 4.44Å; E102-I134 HydrophobicContact CB-CG1 4.45Å; A103-I134 HydrophobicContact CB-CB 4.25Å; A103-I134 HydrophobicContact CB-CG1 4.11Å; A103-I134 HydrophobicContact CB-CG2 3.75Å; F106-I134 HydrophobicContact CB-CD1 3.83Å; F106-I134 HydrophobicContact CD1-CG2 4.23Å; F106-I134 HydrophobicContact CD2-CD1 4.34Å; F106-I134 HydrophobicContact CG-CD1 4.13Å; F106-I134 HydrophobicContact CG-CG2 4.46Å; F107-I134 HydrophobicContact CE2-CG2 4.03Å; F107-I134 HydrophobicContact CZ-CG2 4.2Å; A130-I134 HydrophobicContact CB-CB 3.77Å; A130-I134 HydrophobicContact CB-CD1 4.43Å; A130-I134 HydrophobicContact CB-CG2 3.46Å; A130-I134 VanDerWaalsContact CB-CG2 3.46Å; S131-I134 PolarHBondContact O-N 3.28Å; S131-I134 VanDerWaalsContact O-N 3.16Å; S131-I134 WeakPolarHBondContact OG-CD1 3.4Å; S131-I134 VanDerWaalsContact OG-CG1 3.29Å; S131-I134 WeakPolarHBondContact OG-CG1 3.43Å; S131-I134 PolarHBondContact OG-N 3.49Å; P132-I134 PolarHBondContact O-N 3.38Å; I134-F136 PolarHBondContact O-N 3.03Å; I134-V137 WeakPolarHBondContact O-CG2 3.3Å; I134-V137 PolarHBondContact O-N 2.89Å; I134-S138 VanDerWaalsContact O-CB 3.25Å; I134-S138 WeakPolarHBondContact O-CB 3.47Å; I134-S138 PolarHBondContact O-N 2.78Å; I134-S138 PolarHBondContact O-OG 2.95Å; I134-S138 VanDerWaalsContact O-OG 3.11Å
135R77.9Confident76.1Confident95 Ų9565 Ų6536%0.35834%0.337SS..Hα-helixtrans-61.5-36177.3-70.2-173.8-70.3179.50.8111.8R127 A130 S131 P132 D133R127-R135 HydrophobicContact CG-CG 4.05Å; R127-R135 PolarHBondContact NE-O 3.33Å; R127-R135 PolarHBondContact NH2-O 3.01Å; R127-R135 WeakPolarHBondContact O-CD 3.47Å; R127-R135 VanDerWaalsContact O-CG 3.27Å; R127-R135 WeakPolarHBondContact O-CG 3.29Å; A130-R135 HydrophobicContact CB-CG 4.09Å; A130-R135 PolarHBondContact O-NE 3.38Å; S131-R135 WeakPolarHBondContact O-CG 3.27Å; S131-R135 PolarHBondContact O-N 3.35Å; P132-R135 PolarHBondContact O-N 2.83Å; D133-R135 VanDerWaalsContact C-N 3.34Å; D133-R135 PolarHBondContact O-N 3.25Å
136F73.4Confident76.3Confident177 Ų17764.1 Ų64.178%0.77633%0.325SS*.Hα-helixtrans-69.2-52.5178.4-176.1-96.9000111.3P132 D133 I134 S138 G139P132-F136 WeakPolarHBondContact O-CB 3.3Å; P132-F136 PolarHBondContact O-N 3.1Å; D133-F136 WeakPolarHBondContact O-CB 3.5Å; D133-F136 PolarHBondContact O-N 3.42Å; I134-F136 PolarHBondContact O-N 3.03Å; F136-S138 PolarHBondContact O-N 2.85Å; F136-G139 PolarHBondContact O-N 3.4Å
137V79Confident76.3Confident41 Ų4167.3 Ų67.325%0.24834%0.343CS..Hα-helixtrans-71.7-27.2-176-58.60000113.6V100 A103 D133 I134 G139 F148V100-V137 HydrophobicContact CG2-CB 4.46Å; V100-V137 HydrophobicContact CG2-CG1 4.41Å; A103-V137 HydrophobicContact CB-CG2 3.54Å; D133-V137 WeakPolarHBondContact O-CG2 3.44Å; D133-V137 PolarHBondContact O-N 3.2Å; I134-V137 WeakPolarHBondContact O-CG2 3.3Å; I134-V137 PolarHBondContact O-N 2.89Å; V137-G139 VanDerWaalsContact C-N 3.28Å; V137-G139 PolarHBondContact O-N 2.93Å; V137-F148 HydrophobicContact CG2-CE2 4.43Å; V137-F148 WeakPolarHBondContact O-CD2 3.4Å
138S80.5Confident76.7Confident1 Ų166 Ų661%0.00734%0.339CS..THydrogen-bonded Turntrans-82.1-1.4-178.579.20000114R127 I134 F136 F145R127-S138 WeakPolarHBondContact CD-OG 3.45Å; R127-S138 PolarHBondContact NE-OG 3.45Å; R127-S138 VanDerWaalsContact NE-OG 3.07Å; I134-S138 VanDerWaalsContact O-CB 3.25Å; I134-S138 WeakPolarHBondContact O-CB 3.47Å; I134-S138 PolarHBondContact O-N 2.78Å; I134-S138 PolarHBondContact O-OG 2.95Å; I134-S138 VanDerWaalsContact O-OG 3.11Å; F136-S138 PolarHBondContact O-N 2.85Å; S138-F145 VanDerWaalsContact O-CA 3.3Å; S138-F145 WeakPolarHBondContact O-CA 3.38Å; S138-F145 WeakPolarHBondContact O-CD2 3.36Å
139G70.5Confident77.6Confident15 Ų1564.8 Ų64.816%0.15533%0.33CS..  trans77.7152.1-17700000114.3R127 F136 V137R127-G139 PolarHBondContact NE-O 3.01Å; R127-G139 PolarHBondContact NH2-O 3.39Å; F136-G139 PolarHBondContact O-N 3.4Å; V137-G139 VanDerWaalsContact C-N 3.28Å; V137-G139 PolarHBondContact O-N 2.93Å
140C64.9Low78.2Confident77 Ų7762 Ų6252%0.5233%0.327SS..SBendtrans-91.5-36.7-174.248.10000113.7
141H68.7Low79Confident126 Ų12666.2 Ų66.258%0.58336%0.355SS*.SBendtrans-96.4158.3-179.1-56.992.4000111.5R143 D144 F145H141-R143 PolarHBondContact O-N 2.96Å; H141-R143 VanDerWaalsContact O-N 3.1Å; H141-D144 WeakPolarHBondContact CB-OD2 3.49Å; H141-D144 IonicContact CG-OD2 2.76Å; H141-D144 PolarHBondContact N-OD2 3Å; H141-D144 IonicContact ND1-OD2 3.75Å; H141-D144 PolarHBondContact ND1-OD2 3.26Å; H141-D144 PolarHBondContact O-N 2.76Å; H141-F145 PolarHBondContact O-N 3.36Å
142L74.9Confident79.6Confident69 Ų6966 Ų6636%0.36135%0.348SS..Hα-helixtrans-51.1-37.2177.9-177.665.9000113.1I120 K121 L124 A146I120-L142 HydrophobicContact CB-CD1 4.5Å; I120-L142 HydrophobicContact CG2-CD1 3.76Å; K121-L142 HydrophobicContact CD-CD2 4.43Å; K121-L142 HydrophobicContact CG-CD1 3.77Å; K121-L142 HydrophobicContact CG-CD2 3.92Å; L124-L142 HydrophobicContact CD2-CB 4.05Å; L124-L142 HydrophobicContact CD2-CD1 3.85Å; L142-A146 WeakPolarHBondContact O-CB 3.42Å; L142-A146 PolarHBondContact O-N 2.94Å
143R75.3Confident80.6Confident196 Ų19665.4 Ų65.474%0.7434%0.344SS*.Hα-helixtrans-66.5-47.6177.6-169.8-177.8-55.6-168.63.5112H141 F145 A146 N147H141-R143 PolarHBondContact O-N 2.96Å; H141-R143 VanDerWaalsContact O-N 3.1Å; R143-F145 VanDerWaalsContact C-N 3.29Å; R143-F145 PolarHBondContact O-N 3.16Å; R143-A146 PolarHBondContact O-N 3.1Å; R143-N147 WeakPolarHBondContact O-CB 3.41Å; R143-N147 PolarHBondContact O-N 2.94Å; R143-N147 PolarHBondContact O-ND2 3.14Å
144D78.9Confident81.4Confident63 Ų6367.2 Ų67.234%0.33735%0.354SS..Hα-helixtrans-64.7-39-179.8-52.2-37.9000110.6H141 N147 F148H141-D144 WeakPolarHBondContact CB-OD2 3.49Å; H141-D144 IonicContact CG-OD2 2.76Å; H141-D144 PolarHBondContact N-OD2 3Å; H141-D144 IonicContact ND1-OD2 3.75Å; H141-D144 PolarHBondContact ND1-OD2 3.26Å; H141-D144 PolarHBondContact O-N 2.76Å; D144-N147 WeakPolarHBondContact O-CB 3.42Å; D144-N147 PolarHBondContact O-N 2.91Å; D144-F148 WeakPolarHBondContact O-CB 3.33Å; D144-F148 PolarHBondContact O-N 3.16Å
145F87.2Confident81.8Confident0 Ų067.5 Ų67.50%036%0.358CS..Hα-helixtrans-68.4-43.4177.2-176-116.3000113.1F107 I120 L123 L124 S138 H141 R143 N147 F148 L149F107-F145 HydrophobicContact CD1-CE2 4.14Å; F107-F145 AromaticContact CD1-CZ 3.94Å; F107-F145 HydrophobicContact CD1-CZ 3.94Å; F107-F145 HydrophobicContact CD2-CE2 4.21Å; F107-F145 AromaticContact CE1-CE2 3.61Å; F107-F145 HydrophobicContact CE1-CE2 3.61Å; F107-F145 AromaticContact CE1-CZ 3.69Å; F107-F145 HydrophobicContact CE1-CZ 3.69Å; F107-F145 AromaticContact CE2-CE2 3.72Å; F107-F145 HydrophobicContact CE2-CE2 3.72Å; F107-F145 HydrophobicContact CE2-CZ 4.46Å; F107-F145 HydrophobicContact CG-CE2 4.43Å; F107-F145 HydrophobicContact CG-CZ 4.44Å; F107-F145 HydrophobicContact CZ-CD2 4.39Å; F107-F145 AromaticContact CZ-CE2 3.4Å; F107-F145 HydrophobicContact CZ-CE2 3.4Å; F107-F145 VanDerWaalsContact CZ-CE2 3.4Å; F107-F145 AromaticContact CZ-CZ 3.99Å; F107-F145 HydrophobicContact CZ-CZ 3.99Å; I120-F145 HydrophobicContact CG2-CD1 3.86Å; I120-F145 HydrophobicContact CG2-CE1 4.19Å; L123-F145 HydrophobicContact CB-CE1 4.19Å; L123-F145 HydrophobicContact CB-CZ 4.39Å; L123-F145 HydrophobicContact CD2-CE1 4.39Å; L123-F145 HydrophobicContact CD2-CZ 4.05Å; L123-F145 HydrophobicContact CG-CE1 4.26Å; L123-F145 HydrophobicContact CG-CZ 3.95Å; L124-F145 HydrophobicContact CB-CD1 3.66Å; L124-F145 HydrophobicContact CB-CE1 3.83Å; L124-F145 HydrophobicContact CB-CG 4.4Å; L124-F145 HydrophobicContact CD1-CB 3.68Å; L124-F145 HydrophobicContact CD1-CD1 3.72Å; L124-F145 HydrophobicContact CD1-CD2 4.11Å; L124-F145 HydrophobicContact CD1-CE1 4.37Å; L124-F145 HydrophobicContact CD1-CG 3.56Å; L124-F145 HydrophobicContact CG-CD1 4.21Å; S138-F145 VanDerWaalsContact O-CA 3.3Å; S138-F145 WeakPolarHBondContact O-CA 3.38Å; S138-F145 WeakPolarHBondContact O-CD2 3.36Å; H141-F145 PolarHBondContact O-N 3.36Å; R143-F145 VanDerWaalsContact C-N 3.29Å; R143-F145 PolarHBondContact O-N 3.16Å; F145-N147 VanDerWaalsContact C-N 3.28Å; F145-N147 PolarHBondContact O-N 3.5Å; F145-F148 WeakPolarHBondContact O-CB 3.47Å; F145-F148 PolarHBondContact O-N 2.99Å; F145-L149 HydrophobicContact CD1-CD1 4.09Å; F145-L149 HydrophobicContact CE1-CD1 3.66Å; F145-L149 HydrophobicContact CE1-CG 4.33Å; F145-L149 HydrophobicContact CE2-CD2 4.32Å; F145-L149 HydrophobicContact CE2-CG 4.33Å; F145-L149 HydrophobicContact CZ-CD1 3.9Å; F145-L149 HydrophobicContact CZ-CD2 4.13Å; F145-L149 HydrophobicContact CZ-CG 4.16Å; F145-L149 WeakPolarHBondContact O-CG 3.21Å; F145-L149 PolarHBondContact O-N 3.44Å
146A85.3Confident82.5Confident22 Ų2263.1 Ų63.118%0.18234%0.342CS..Hα-helixtrans-60-41.8173.200000111.2I120 L142 R143 L149 A150I120-A146 HydrophobicContact CG2-CB 4.42Å; L142-A146 WeakPolarHBondContact O-CB 3.42Å; L142-A146 PolarHBondContact O-N 2.94Å; R143-A146 PolarHBondContact O-N 3.1Å; A146-L149 PolarHBondContact O-N 3.45Å; A146-A150 WeakPolarHBondContact O-CB 3.27Å; A146-A150 PolarHBondContact O-N 3.49Å
147N84.7Confident83.2Confident92 Ų9257 Ų5749%0.49232%0.319SS..Hα-helixtrans-63-43.2174.7-69.5-16.1000111.8R143 D144 F145 L149 A150 C151R143-N147 WeakPolarHBondContact O-CB 3.41Å; R143-N147 PolarHBondContact O-N 2.94Å; R143-N147 PolarHBondContact O-ND2 3.14Å; D144-N147 WeakPolarHBondContact O-CB 3.42Å; D144-N147 PolarHBondContact O-N 2.91Å; F145-N147 VanDerWaalsContact C-N 3.28Å; F145-N147 PolarHBondContact O-N 3.5Å; N147-L149 PolarHBondContact O-N 3.22Å; N147-A150 PolarHBondContact O-N 3.36Å; N147-C151 PolarHBondContact O-N 2.74Å; N147-C151 PolarHBondContact O-SG 3.28Å
148F89.8Confident83.6Confident18 Ų1857.7 Ų57.78%0.07932%0.321CS..Hα-helixtrans-57.3-47.6175.1170.7-93.3000111.6V100 A103 V104 F107 V137 D144 F145 A150 C151 H152V100-F148 HydrophobicContact CG1-CE2 4.46Å; A103-F148 HydrophobicContact CB-CE1 4.45Å; A103-F148 HydrophobicContact CB-CE2 4.33Å; A103-F148 HydrophobicContact CB-CZ 3.67Å; V104-F148 HydrophobicContact CG2-CZ 4.27Å; F107-F148 AromaticContact CD2-CE1 3.92Å; F107-F148 HydrophobicContact CD2-CE1 3.92Å; F107-F148 HydrophobicContact CE2-CE1 4.01Å; V137-F148 HydrophobicContact CG2-CE2 4.43Å; V137-F148 WeakPolarHBondContact O-CD2 3.4Å; D144-F148 WeakPolarHBondContact O-CB 3.33Å; D144-F148 PolarHBondContact O-N 3.16Å; F145-F148 WeakPolarHBondContact O-CB 3.47Å; F145-F148 PolarHBondContact O-N 2.99Å; F148-A150 VanDerWaalsContact C-N 3.34Å; F148-A150 PolarHBondContact O-N 2.88Å; F148-C151 PolarHBondContact O-N 3.19Å; F148-H152 AromaticContact CD2-CE1 3.77Å; F148-H152 AromaticContact CE2-CE1 3.4Å; F148-H152 WeakPolarHBondContact CE2-CE1 3.47Å; F148-H152 AromaticContact CE2-ND1 3.97Å; F148-H152 AromaticContact CZ-CE1 3.76Å; F148-H152 PolarHBondContact O-ND1 3.4Å
149L92.6Very high83.7Confident0 Ų061.9 Ų61.90%035%0.346CS..Hα-helixtrans-62.5-42.4177.6-64.1171.9000111.4I120 L123 F145 A146 N147 C151 H152 F156 L158 V163I120-L149 HydrophobicContact CG2-CD1 4.37Å; L123-L149 HydrophobicContact CD2-CD1 4.36Å; L123-L149 HydrophobicContact CD2-CD2 4.34Å; F145-L149 HydrophobicContact CD1-CD1 4.09Å; F145-L149 HydrophobicContact CE1-CD1 3.66Å; F145-L149 HydrophobicContact CE1-CG 4.33Å; F145-L149 HydrophobicContact CE2-CD2 4.32Å; F145-L149 HydrophobicContact CE2-CG 4.33Å; F145-L149 HydrophobicContact CZ-CD1 3.9Å; F145-L149 HydrophobicContact CZ-CD2 4.13Å; F145-L149 HydrophobicContact CZ-CG 4.16Å; F145-L149 WeakPolarHBondContact O-CG 3.21Å; F145-L149 PolarHBondContact O-N 3.44Å; A146-L149 PolarHBondContact O-N 3.45Å; N147-L149 PolarHBondContact O-N 3.22Å; L149-C151 VanDerWaalsContact C-N 3.28Å; L149-C151 PolarHBondContact O-N 3.27Å; L149-H152 CarbonylContact O-C 3.5Å; L149-H152 PolarHBondContact O-N 3.33Å; L149-F156 HydrophobicContact CB-CB 4.41Å; L149-F156 HydrophobicContact CB-CD2 4.36Å; L149-F156 HydrophobicContact CD2-CD1 4.14Å; L149-F156 HydrophobicContact CD2-CD2 3.63Å; L149-F156 HydrophobicContact CD2-CE1 4.27Å; L149-F156 HydrophobicContact CD2-CE2 3.78Å; L149-F156 HydrophobicContact CD2-CG 3.83Å; L149-F156 HydrophobicContact CD2-CZ 4.12Å; L149-L158 HydrophobicContact CB-CD1 3.92Å; L149-L158 HydrophobicContact CB-CD2 4.4Å; L149-V163 HydrophobicContact CD1-CB 4.27Å; L149-V163 HydrophobicContact CD1-CG1 4.28Å; L149-V163 HydrophobicContact CD1-CG2 4.16Å
150A88.4Confident84.2Confident56 Ų5664.9 Ų64.946%0.46338%0.377SS..Hα-helixtrans-64.5-29.5178.400000113.3A146 N147 F148 H152 L158A146-A150 WeakPolarHBondContact O-CB 3.27Å; A146-A150 PolarHBondContact O-N 3.49Å; N147-A150 PolarHBondContact O-N 3.36Å; F148-A150 VanDerWaalsContact C-N 3.34Å; F148-A150 PolarHBondContact O-N 2.88Å; A150-H152 PolarHBondContact O-N 3.28Å; A150-L158 HydrophobicContact CB-CD1 4.35Å; A150-L158 HydrophobicContact CB-CD2 4.38Å
151C90.8Very high85.1Confident96 Ų9666.5 Ų66.565%0.64938%0.381SS*.THydrogen-bonded Turntrans-71-9173.2-71.10000113.7N147 F148 L149 P153N147-C151 PolarHBondContact O-N 2.74Å; N147-C151 PolarHBondContact O-SG 3.28Å; F148-C151 PolarHBondContact O-N 3.19Å; L149-C151 VanDerWaalsContact C-N 3.28Å; L149-C151 PolarHBondContact O-N 3.27Å; C151-P153 VanDerWaalsContact O-CD 3.3Å; C151-P153 WeakPolarHBondContact O-CD 2.91Å
152H90.5Very high85.9Confident45 Ų4562.4 Ų62.421%0.20836%0.36CS..  trans-121.460.4179.2-58.189.6000111.7V100 V104 F148 L149 A150 N154 A155 F156V100-H152 WeakPolarHBondContact CG1-NE2 3.1Å; V104-H152 HydrophobicContact CG2-CB 4.25Å; V104-H152 VanDerWaalsContact CG2-CD2 3.4Å; V104-H152 WeakPolarHBondContact CG2-CD2 3.46Å; F148-H152 AromaticContact CD2-CE1 3.77Å; F148-H152 AromaticContact CE2-CE1 3.4Å; F148-H152 WeakPolarHBondContact CE2-CE1 3.47Å; F148-H152 AromaticContact CE2-ND1 3.97Å; F148-H152 AromaticContact CZ-CE1 3.76Å; F148-H152 PolarHBondContact O-ND1 3.4Å; L149-H152 CarbonylContact O-C 3.5Å; L149-H152 PolarHBondContact O-N 3.33Å; A150-H152 PolarHBondContact O-N 3.28Å; H152-N154 PolarHBondContact O-N 3.26Å; H152-A155 PolarHBondContact O-N 3.02Å; H152-F156 HydrophobicContact CB-CD2 3.93Å; H152-F156 HydrophobicContact CB-CE2 4.21Å; H152-F156 PolarHBondContact O-N 3.08Å
153P86.9Confident86.6Confident75 Ų7559.1 Ų59.149%0.48734%0.343SS..THydrogen-bonded Turntrans-66-14-17529.6-37.1000113.6C151 A155 F156C151-P153 VanDerWaalsContact O-CD 3.3Å; C151-P153 WeakPolarHBondContact O-CD 2.91Å; P153-A155 VanDerWaalsContact C-N 3.32Å; P153-F156 WeakPolarHBondContact CA-O 3.48Å
154N87.4Confident87.1Confident134 Ų13450.5 Ų50.572%0.71731%0.313SS*.THydrogen-bonded Turntrans-74.2-23174.4-68.5-28000112.9H152 K166H152-N154 PolarHBondContact O-N 3.26Å; N154-K166 WeakPolarHBondContact O-CD 3.39Å
155A89.4Confident87.6Confident19 Ų1948 Ų4816%0.15730%0.299CS..THydrogen-bonded Turntrans-107.5-40.6178.600000112V104 V108 H152 P153 K166V104-A155 HydrophobicContact CG1-CB 3.64Å; V108-A155 HydrophobicContact CG2-CB 4.14Å; H152-A155 PolarHBondContact O-N 3.02Å; P153-A155 VanDerWaalsContact C-N 3.32Å; A155-K166 PolarHBondContact O-N 3.24Å
156F92.6Very high87.2Confident3 Ų351.7 Ų51.71%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-120.9138.1-170.2-50.9-64.2000112.3V104 F107 V108 L111 L149 H152 P153 L158 V163 C164 L165V104-F156 HydrophobicContact CB-CE2 4.48Å; V104-F156 HydrophobicContact CG1-CE2 4.05Å; V104-F156 HydrophobicContact CG1-CZ 4.15Å; V104-F156 HydrophobicContact CG2-CE2 4.36Å; F107-F156 HydrophobicContact CB-CE1 3.96Å; F107-F156 HydrophobicContact CB-CZ 3.69Å; V108-F156 HydrophobicContact CG2-CE1 3.83Å; V108-F156 HydrophobicContact CG2-CZ 3.93Å; L111-F156 HydrophobicContact CD1-CD1 3.89Å; L111-F156 HydrophobicContact CD1-CE1 3.94Å; L149-F156 HydrophobicContact CB-CB 4.41Å; L149-F156 HydrophobicContact CB-CD2 4.36Å; L149-F156 HydrophobicContact CD2-CD1 4.14Å; L149-F156 HydrophobicContact CD2-CD2 3.63Å; L149-F156 HydrophobicContact CD2-CE1 4.27Å; L149-F156 HydrophobicContact CD2-CE2 3.78Å; L149-F156 HydrophobicContact CD2-CG 3.83Å; L149-F156 HydrophobicContact CD2-CZ 4.12Å; H152-F156 HydrophobicContact CB-CD2 3.93Å; H152-F156 HydrophobicContact CB-CE2 4.21Å; H152-F156 PolarHBondContact O-N 3.08Å; P153-F156 WeakPolarHBondContact CA-O 3.48Å; F156-L158 HydrophobicContact CB-CD1 4.45Å; F156-V163 HydrophobicContact CB-CG2 3.82Å; F156-V163 HydrophobicContact CD1-CG2 4.02Å; F156-V163 HydrophobicContact CG-CG2 4.22Å; F156-C164 WeakPolarHBondContact CA-O 3.29Å; F156-L165 HydrophobicContact CE1-CD2 4.44Å
157V89.6Confident86.8Confident48 Ų4855.7 Ų55.729%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-118.8122.9170.5-179.10000108.1V159 V163 C164 K166 L169V157-V159 HydrophobicContact CG1-CG2 4.27Å; V157-V163 WeakPolarHBondContact O-CA 3.14Å; V157-C164 PolarHBondContact N-O 3.2Å; V157-C164 PolarHBondContact O-N 3.37Å; V157-K166 HydrophobicContact CG2-CB 4.21Å; V157-K166 HydrophobicContact CG2-CG 4.4Å; V157-L169 HydrophobicContact CB-CD1 4.1Å; V157-L169 HydrophobicContact CG1-CD1 4.38Å; V157-L169 HydrophobicContact CG2-CD1 4.09Å
158L86.7Confident86Confident57 Ų5753.5 Ų53.530%0.29833%0.325SS..EExtended strand (participates in β ladder)trans-95.8125.3179.9-70.476.1000109.5I120 L149 A150 F156 R162I120-L158 HydrophobicContact CD1-CD2 4.02Å; I120-L158 HydrophobicContact CD1-CG 4.49Å; L149-L158 HydrophobicContact CB-CD1 3.92Å; L149-L158 HydrophobicContact CB-CD2 4.4Å; A150-L158 HydrophobicContact CB-CD1 4.35Å; A150-L158 HydrophobicContact CB-CD2 4.38Å; F156-L158 HydrophobicContact CB-CD1 4.45Å; L158-R162 WeakPolarHBondContact CA-O 3.05Å
159V82.7Confident84.7Confident88 Ų8857.5 Ų57.553%0.53335%0.346SS..EExtended strand (participates in β ladder)trans-125.2100.1177.1-175.70000107.9V157 D161 R162V157-V159 HydrophobicContact CG1-CG2 4.27Å; V159-D161 PolarHBondContact O-N 3.37Å; V159-R162 PolarHBondContact N-O 3.34Å; V159-R162 PolarHBondContact O-N 2.88Å; V159-R162 VanDerWaalsContact O-N 3.08Å
160G80.7Confident82.7Confident78 Ų7863 Ų6380%0.80438%0.376SS*.THydrogen-bonded Turntrans62.2-115.6-174.500000111.8
161D84.3Confident80.6Confident112 Ų11265.7 Ų65.760%0.59939%0.386SS*.THydrogen-bonded Turntrans-97.510.2178.873.1-33.6000113.8I120 V159I120-D161 WeakPolarHBondContact CG1-O 3.34Å; I120-D161 PolarHBondContact N-O 3.28Å; V159-D161 PolarHBondContact O-N 3.37Å
162R84.4Confident78.1Confident39 Ų3963.4 Ų63.415%0.14737%0.374CS..EExtended strand (participates in β ladder)trans-116.8156.1-177.4-63.7-174.3167.5-118.5-5.7112.4E117 L118 L158 V159E117-R162 HydrophobicContact CG-CB 4.34Å; E117-R162 WeakPolarHBondContact OE1-CD 3.34Å; L118-R162 WeakPolarHBondContact O-CA 3.43Å; L158-R162 WeakPolarHBondContact CA-O 3.05Å; V159-R162 PolarHBondContact N-O 3.34Å; V159-R162 PolarHBondContact O-N 2.88Å; V159-R162 VanDerWaalsContact O-N 3.08Å
163V89.8Confident75.5Confident0 Ų067.1 Ų67.10%040%0.402CS..EExtended strand (participates in β ladder)trans-126.5132.1175.256.10000109.9L111 E117 L118 I120 L123 L149 F156 V157L111-V163 HydrophobicContact CD1-CG2 4.34Å; L111-V163 HydrophobicContact CD2-CG1 4.41Å; E117-V163 WeakPolarHBondContact CA-O 3.39Å; L118-V163 PolarHBondContact N-O 2.93Å; L118-V163 WeakPolarHBondContact O-CG1 3.41Å; L118-V163 PolarHBondContact O-N 3.35Å; I120-V163 HydrophobicContact CG1-CB 4.27Å; I120-V163 HydrophobicContact CG1-CG1 4.32Å; L123-V163 HydrophobicContact CB-CG1 4.32Å; L123-V163 HydrophobicContact CD2-CG1 3.59Å; L149-V163 HydrophobicContact CD1-CB 4.27Å; L149-V163 HydrophobicContact CD1-CG1 4.28Å; L149-V163 HydrophobicContact CD1-CG2 4.16Å; F156-V163 HydrophobicContact CB-CG2 3.82Å; F156-V163 HydrophobicContact CD1-CG2 4.02Å; F156-V163 HydrophobicContact CG-CG2 4.22Å; V157-V163 WeakPolarHBondContact O-CA 3.14Å
164C87.5Confident73.1Confident16 Ų1666.7 Ų66.711%0.10841%0.411CS..EExtended strand (participates in β ladder)trans-117.1152.4177.5-56.70000110.4P116 E117 F156 V157 L169P116-C164 WeakPolarHBondContact O-CA 3.32Å; E117-C164 WeakPolarHBondContact CG-SG 3.11Å; F156-C164 WeakPolarHBondContact CA-O 3.29Å; V157-C164 PolarHBondContact N-O 3.2Å; V157-C164 PolarHBondContact O-N 3.37Å; C164-L169 HydrophobicContact CB-CD1 4.03Å
165L88.6Confident71Confident10 Ų1069 Ų695%0.05242%0.415CS..EExtended strand (participates in β ladder)trans-70.4134.4164-69.9174.6000110.3V108 L111 R112 P116 F156 E167 A168V108-L165 HydrophobicContact CB-CD2 4.09Å; V108-L165 HydrophobicContact CG1-CD2 3.94Å; V108-L165 HydrophobicContact CG2-CD2 3.78Å; L111-L165 HydrophobicContact CB-CD1 3.82Å; L111-L165 HydrophobicContact CB-CD2 4.06Å; L111-L165 HydrophobicContact CB-CG 3.73Å; L111-L165 HydrophobicContact CD1-CD2 3.7Å; L111-L165 HydrophobicContact CD1-CG 3.86Å; L111-L165 HydrophobicContact CG-CG 4.4Å; R112-L165 HydrophobicContact CG-CD1 3.68Å; P116-L165 PolarHBondContact O-N 3.04Å; P116-L165 VanDerWaalsContact O-N 3.11Å; F156-L165 HydrophobicContact CE1-CD2 4.44Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.29Å; L165-A168 HydrophobicContact CB-CB 4.07Å; L165-A168 WeakPolarHBondContact O-CB 3.44Å; L165-A168 PolarHBondContact O-N 2.79Å
166K79.5Confident68.6Low78 Ų7870.7 Ų70.734%0.33943%0.434SS..Hα-helixtrans-57.8-44.2175.6-174178.7-178.9176.90111.9N154 A155 V157 A168 L169 D170N154-K166 WeakPolarHBondContact O-CD 3.39Å; A155-K166 PolarHBondContact O-N 3.24Å; V157-K166 HydrophobicContact CG2-CB 4.21Å; V157-K166 HydrophobicContact CG2-CG 4.4Å; K166-A168 PolarHBondContact O-N 3.23Å; K166-L169 WeakPolarHBondContact O-CA 3.32Å; K166-L169 WeakPolarHBondContact O-CB 3.14Å; K166-L169 PolarHBondContact O-N 3.46Å; K166-D170 PolarHBondContact O-N 3.17Å
167E76.3Confident66.1Low105 Ų10577.4 Ų77.449%0.49147%0.47SS..Hα-helixtrans-58-31.2176.2-62.2170.6178.500112.8R112 L165 L169 D170 V171R112-E167 IonicContact CZ-OE2 3.75Å; R112-E167 IonicContact NE-OE2 4Å; R112-E167 IonicContact NH2-OE1 3.42Å; R112-E167 PolarHBondContact NH2-OE1 3.43Å; R112-E167 IonicContact NH2-OE2 2.71Å; R112-E167 PolarHBondContact NH2-OE2 3.37Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.29Å; E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 3.45Å; E167-D170 PolarHBondContact O-N 3.39Å; E167-V171 WeakPolarHBondContact O-CB 3.35Å; E167-V171 VanDerWaalsContact O-CG2 3.29Å; E167-V171 WeakPolarHBondContact O-CG2 3.34Å; E167-V171 PolarHBondContact O-N 3.4Å
168A67.2Low64Low46 Ų4679.7 Ų79.738%0.3848%0.48SS..Hα-helixtrans-73.6-19.5177.900000112.6P116 L165 K166P116-A168 HydrophobicContact CB-CB 3.66Å; L165-A168 HydrophobicContact CB-CB 4.07Å; L165-A168 WeakPolarHBondContact O-CB 3.44Å; L165-A168 PolarHBondContact O-N 2.79Å; K166-A168 PolarHBondContact O-N 3.23Å
169L62.3Low61.9Low103 Ų10381.1 Ų81.154%0.53949%0.488SS..Hα-helixtrans-79.2-36.7166.2-83.6109.2000111.8V157 C164 K166 E167V157-L169 HydrophobicContact CB-CD1 4.1Å; V157-L169 HydrophobicContact CG1-CD1 4.38Å; V157-L169 HydrophobicContact CG2-CD1 4.09Å; C164-L169 HydrophobicContact CB-CD1 4.03Å; K166-L169 WeakPolarHBondContact O-CA 3.32Å; K166-L169 WeakPolarHBondContact O-CB 3.14Å; K166-L169 PolarHBondContact O-N 3.46Å; E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 3.45Å
170D50.6Low59.7Low115 Ų11578.1 Ų78.162%0.61548%0.475SS*.Hα-helixtrans-81.3-32.6-174.7-66.7-25.7000113.2K166 E167 A172K166-D170 PolarHBondContact O-N 3.17Å; E167-D170 PolarHBondContact O-N 3.39Å; D170-A172 PolarHBondContact O-N 2.77Å
171V45.9Very low58Low112 Ų11281.5 Ų81.568%0.67948%0.48SS*.THydrogen-bonded Turntrans-91.127.3-178.8-171.50000112E167 P173E167-V171 WeakPolarHBondContact O-CB 3.35Å; E167-V171 VanDerWaalsContact O-CG2 3.29Å; E167-V171 WeakPolarHBondContact O-CG2 3.34Å; E167-V171 PolarHBondContact O-N 3.4Å; V171-P173 WeakPolarHBondContact O-CD 3.31Å
172A38.1Very low56Low49 Ų4982.7 Ų82.741%0.40549%0.486SS..  trans-9956.5162.600000112.4D170 G174 K175D170-A172 PolarHBondContact O-N 2.77Å; A172-G174 PolarHBondContact O-N 3.3Å; A172-K175 PolarHBondContact O-N 2.83Å
173P35Very low54.1Low122 Ų12283.1 Ų83.179%0.79250%0.503SS*.THydrogen-bonded Turntrans-74.283.1160.633.6-27.1000106.2V171V171-P173 WeakPolarHBondContact O-CD 3.31Å
174G37.5Very low52.1Low66 Ų6690 Ų9068%0.6854%0.535SS*.THydrogen-bonded Turntrans149.623.8-16600000113.9A172 G176A172-G174 PolarHBondContact O-N 3.3Å; G174-G176 PolarHBondContact O-N 2.53Å
175K42.1Very low50.5Low184 Ų18496.6 Ų96.680%0.857%0.568SS**  trans-56.369.5137.6-74.6-177.3177.6178.60107.1A172 D177A172-K175 PolarHBondContact O-N 2.83Å; K175-D177 PolarHBondContact O-N 2.57Å; K175-D177 VanDerWaalsContact O-N 3.11Å
176G40Very low49.1Very low53 Ų5397.6 Ų97.655%0.54657%0.574SS.*  trans-55.6118.5153.400000102.7G174 L178G174-G176 PolarHBondContact O-N 2.53Å; G176-L178 PolarHBondContact O-N 3.4Å
177D38.9Very low48.7Very low144 Ų14497.6 Ų97.677%0.7758%0.58SS**  trans-48.389.1164.4-65.2-44.7000106.8K175K175-D177 PolarHBondContact O-N 2.57Å; K175-D177 VanDerWaalsContact O-N 3.11Å
178L46.8Very low48.4Very low96 Ų9699 Ų9950%0.50359%0.586SS.*  trans-9831157-62.7175.3000107G176G176-L178 PolarHBondContact O-N 3.4Å
179D41.8Very low48.9Very low87 Ų87100.1 Ų100.147%0.46560%0.596SS.*SBendtrans-53.2133.8133.1-99.4-13.6000105.1G183D179-G183 WeakPolarHBondContact OD2-CA 3.41Å
180G37.1Very low49.8Very low25 Ų2599.5 Ų99.526%0.25859%0.59SS.*  trans-47.4158.4165.700000108.5N182 G183 E184G180-N182 CarbonylContact O-C 3.58Å; G180-N182 PolarHBondContact O-N 2.91Å; G180-G183 PolarHBondContact O-N 3.03Å; G180-E184 PolarHBondContact N-O 2.78Å
181V44Very low51.1Low149 Ų14994 Ų9490%0.90356%0.561SS**THydrogen-bonded Turntrans-45.8-11.8-173.7177.20000114.8
182N42Very low53Low138 Ų13889.7 Ų89.774%0.73854%0.537SS*.THydrogen-bonded Turntrans-127.424176.5-53-36.4000117.2G180 E184G180-N182 CarbonylContact O-C 3.58Å; G180-N182 PolarHBondContact O-N 2.91Å; N182-E184 VanDerWaalsContact C-N 3.32Å; N182-E184 PolarHBondContact O-N 2.97Å
183G44.7Very low55.2Low48 Ų4894 Ų9450%0.49555%0.549SS..SBendtrans77.914.8177.300000115.1D179 G180D179-G183 WeakPolarHBondContact OD2-CA 3.41Å; G180-G183 PolarHBondContact O-N 3.03Å
184E48.6Very low57.7Low145 Ų14590.9 Ų90.968%0.67853%0.525SS*.PPolyproline II helixtrans-91.7134.1176.5-71-176.2158.900110.5G180 N182 L186G180-E184 PolarHBondContact N-O 2.78Å; N182-E184 VanDerWaalsContact C-N 3.32Å; N182-E184 PolarHBondContact O-N 2.97Å; E184-L186 PolarHBondContact O-N 3.15Å
185L53.7Low60.2Low154 Ų15487.7 Ų87.781%0.80649%0.493SS*.PPolyproline II helixtrans-52.5124.9173.1-70.6167.6000109.3T187L185-T187 PolarHBondContact O-N 3.38Å
186L60Low62.6Low31 Ų3180.6 Ų80.616%0.16246%0.463CS..PPolyproline II helixtrans-50.5127.2174.9-68.5171.4000109.7E184 Q190 I194 V227E184-L186 PolarHBondContact O-N 3.15Å; L186-Q190 HydrophobicContact CB-CB 4.45Å; L186-Q190 HydrophobicContact CD2-CB 4.13Å; L186-I194 HydrophobicContact CD1-CD1 4.19Å; L186-I194 HydrophobicContact CD2-CD1 4.22Å; L186-V227 HydrophobicContact CD1-CG2 3.98Å
187T70.7Confident65Low77 Ų7784.6 Ų84.647%0.47247%0.467SS..PPolyproline II helixtrans-63154.9172.3600000109.7L185 A189 Q190 A191L185-T187 PolarHBondContact O-N 3.38Å; T187-A189 PolarHBondContact O-N 3.4Å; T187-A189 VanDerWaalsContact O-N 3.12Å; T187-Q190 PolarHBondContact O-N 2.94Å; T187-Q190 VanDerWaalsContact OG1-CD 3.29Å; T187-Q190 VanDerWaalsContact OG1-CG 3.29Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.38Å; T187-Q190 PolarHBondContact OG1-N 3.31Å; T187-Q190 PolarHBondContact OG1-OE1 2.81Å; T187-A191 PolarHBondContact O-N 3.21Å
188E70.1Confident67.6Low134 Ų13479.4 Ų79.463%0.62644%0.438SS*.Hα-helixtrans-52.9-36.4178.6-173.6177.5176.200112.1A192 H230E188-A192 WeakPolarHBondContact O-CB 3.46Å; E188-A192 PolarHBondContact O-N 3.19Å; E188-H230 HydrophobicContact CG-CB 4.24Å
189A77.9Confident69.9Low71 Ų7174.8 Ų74.859%0.58741%0.414SS*.Hα-helixtrans-66.1-45.7176.400000112.9T187 A192 E193T187-A189 PolarHBondContact O-N 3.4Å; T187-A189 VanDerWaalsContact O-N 3.12Å; A189-A192 PolarHBondContact O-N 3.27Å; A189-E193 WeakPolarHBondContact O-CB 3.33Å; A189-E193 PolarHBondContact O-N 2.82Å
190Q79.7Confident72.2Confident89 Ų8976.5 Ų76.542%0.41641%0.414SS..Hα-helixtrans-65.7-43177.8-72.3166.2-33.400111.4L186 T187 A192 E193 I194L186-Q190 HydrophobicContact CB-CB 4.45Å; L186-Q190 HydrophobicContact CD2-CB 4.13Å; T187-Q190 PolarHBondContact O-N 2.94Å; T187-Q190 VanDerWaalsContact OG1-CD 3.29Å; T187-Q190 VanDerWaalsContact OG1-CG 3.29Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.38Å; T187-Q190 PolarHBondContact OG1-N 3.31Å; T187-Q190 PolarHBondContact OG1-OE1 2.81Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 3.28Å; Q190-E193 PolarHBondContact O-N 2.96Å; Q190-I194 WeakPolarHBondContact O-CD1 3.46Å; Q190-I194 VanDerWaalsContact O-CG1 3.23Å; Q190-I194 WeakPolarHBondContact O-CG1 2.97Å; Q190-I194 PolarHBondContact O-N 3.46Å
191A79.4Confident74.8Confident0 Ų078.4 Ų78.40%042%0.424CS..Hα-helixtrans-58.6-43.4175.800000111.5T187 T195 V227 H230T187-A191 PolarHBondContact O-N 3.21Å; A191-T195 VanDerWaalsContact O-CB 3.23Å; A191-T195 WeakPolarHBondContact O-CB 3.31Å; A191-T195 PolarHBondContact O-N 2.8Å; A191-T195 VanDerWaalsContact O-N 3.14Å; A191-T195 PolarHBondContact O-OG1 3.05Å; A191-V227 HydrophobicContact CB-CG1 4.1Å; A191-H230 HydrophobicContact CB-CB 4.04Å
192A84Confident77.1Confident22 Ų2273.7 Ų73.718%0.18239%0.391CS..Hα-helixtrans-64.8-42.9176.400000112.5E188 A189 Q190 T195 L196 Y241E188-A192 WeakPolarHBondContact O-CB 3.46Å; E188-A192 PolarHBondContact O-N 3.19Å; A189-A192 PolarHBondContact O-N 3.27Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 3.28Å; A192-T195 PolarHBondContact O-N 2.76Å; A192-L196 WeakPolarHBondContact O-CB 3.28Å; A192-L196 PolarHBondContact O-N 2.99Å; A192-Y241 PolarHBondContact O-OH 3.1Å
193E86.2Confident79.4Confident138 Ų13867.4 Ų67.465%0.64536%0.357SS*.Hα-helixtrans-65.3-50.2-178.6-172.7173.1-163.700112.4A189 Q190 T195 L196 E197A189-E193 WeakPolarHBondContact O-CB 3.33Å; A189-E193 PolarHBondContact O-N 2.82Å; Q190-E193 PolarHBondContact O-N 2.96Å; E193-T195 VanDerWaalsContact C-N 3.26Å; E193-T195 PolarHBondContact O-N 3.27Å; E193-L196 WeakPolarHBondContact O-CB 3.22Å; E193-L196 PolarHBondContact O-N 3.23Å; E193-L196 VanDerWaalsContact O-N 3.14Å; E193-E197 PolarHBondContact O-N 3.42Å
194I87.5Confident81.6Confident57 Ų5769.7 Ų69.729%0.29236%0.355SS..Hα-helixtrans-64.2-36.7179.3-54.8160.3000110.3L186 Q190 F198 F223L186-I194 HydrophobicContact CD1-CD1 4.19Å; L186-I194 HydrophobicContact CD2-CD1 4.22Å; Q190-I194 WeakPolarHBondContact O-CD1 3.46Å; Q190-I194 VanDerWaalsContact O-CG1 3.23Å; Q190-I194 WeakPolarHBondContact O-CG1 2.97Å; Q190-I194 PolarHBondContact O-N 3.46Å; I194-F198 PolarHBondContact O-N 3.38Å; I194-F198 VanDerWaalsContact O-N 3.09Å; I194-F223 HydrophobicContact CG2-CE1 3.93Å; I194-F223 HydrophobicContact CG2-CZ 4.22Å
195T89.9Confident83.5Confident0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-65.4-43.9175-61.30000111.5A191 A192 E193 F198 L199 F219 F223 V231A191-T195 VanDerWaalsContact O-CB 3.23Å; A191-T195 WeakPolarHBondContact O-CB 3.31Å; A191-T195 PolarHBondContact O-N 2.8Å; A191-T195 VanDerWaalsContact O-N 3.14Å; A191-T195 PolarHBondContact O-OG1 3.05Å; A192-T195 PolarHBondContact O-N 2.76Å; E193-T195 VanDerWaalsContact C-N 3.26Å; E193-T195 PolarHBondContact O-N 3.27Å; T195-F198 PolarHBondContact O-N 2.77Å; T195-L199 HydrophobicContact CG2-CD1 3.79Å; T195-L199 HydrophobicContact CG2-CG 4.19Å; T195-L199 VanDerWaalsContact O-CG 3.26Å; T195-L199 WeakPolarHBondContact O-CG 3.42Å; T195-L199 PolarHBondContact O-N 2.99Å; T195-F219 HydrophobicContact CG2-CD2 3.78Å; T195-F219 HydrophobicContact CG2-CE2 3.46Å; T195-F219 VanDerWaalsContact CG2-CE2 3.46Å; T195-F223 HydrophobicContact CG2-CE2 4.19Å; T195-V231 HydrophobicContact CG2-CB 4.37Å; T195-V231 HydrophobicContact CG2-CG1 3.96Å; T195-V231 HydrophobicContact CG2-CG2 4.09Å
196L90.5Very high85Confident35 Ų3564.1 Ų64.118%0.18333%0.333CS..Hα-helixtrans-60.9-45.4178177.457.7000111.8A192 E193 F198 L199 R200 M245 I248 F249A192-L196 WeakPolarHBondContact O-CB 3.28Å; A192-L196 PolarHBondContact O-N 2.99Å; E193-L196 WeakPolarHBondContact O-CB 3.22Å; E193-L196 PolarHBondContact O-N 3.23Å; E193-L196 VanDerWaalsContact O-N 3.14Å; L196-F198 VanDerWaalsContact C-N 3.33Å; L196-F198 PolarHBondContact O-N 2.98Å; L196-L199 PolarHBondContact O-N 2.92Å; L196-R200 WeakPolarHBondContact O-CB 3.4Å; L196-R200 PolarHBondContact O-N 3.07Å; L196-M245 HydrophobicContact CB-CE 4.11Å; L196-M245 HydrophobicContact CB-SD 4.5Å; L196-M245 HydrophobicContact CD1-CE 3.76Å; L196-M245 HydrophobicContact CD1-SD 3.25Å; L196-M245 WeakPolarHBondContact CD1-SD 3.39Å; L196-M245 HydrophobicContact CD2-CE 3.47Å; L196-M245 VanDerWaalsContact CD2-CE 3.47Å; L196-M245 HydrophobicContact CD2-SD 4.13Å; L196-M245 HydrophobicContact CG-CE 3.94Å; L196-M245 HydrophobicContact CG-SD 4.12Å; L196-I248 HydrophobicContact CD1-CD1 3.95Å; L196-I248 HydrophobicContact CD2-CD1 3.89Å; L196-I248 HydrophobicContact CG-CD1 4.29Å; L196-F249 HydrophobicContact CD1-CE2 3.54Å; L196-F249 HydrophobicContact CD1-CZ 4.04Å
197E91.3Very high85.9Confident136 Ų13672.3 Ų72.364%0.63637%0.371SS*.Hα-helixtrans-60.6-43.3177.9-171.2179-169.500111.5E193 R200 S201E193-E197 PolarHBondContact O-N 3.42Å; E197-R200 PolarHBondContact O-N 3.33Å; E197-S201 WeakPolarHBondContact O-CB 3.48Å; E197-S201 PolarHBondContact O-N 2.73Å; E197-S201 PolarHBondContact O-OG 3.22Å
198F93.8Very high86.5Confident35 Ų3572.4 Ų72.415%0.15438%0.375CS..Hα-helixtrans-61.6-50.5173.3168.6-100.3000112.4I194 T195 L196 R200 S201 F202 E218 F219 R222 F223I194-F198 PolarHBondContact O-N 3.38Å; I194-F198 VanDerWaalsContact O-N 3.09Å; T195-F198 PolarHBondContact O-N 2.77Å; L196-F198 VanDerWaalsContact C-N 3.33Å; L196-F198 PolarHBondContact O-N 2.98Å; F198-R200 VanDerWaalsContact C-N 3.26Å; F198-R200 PolarHBondContact O-N 3.37Å; F198-S201 WeakPolarHBondContact CA-OG 3.4Å; F198-S201 PolarHBondContact O-N 3Å; F198-S201 PolarHBondContact O-OG 3.49Å; F198-F202 WeakPolarHBondContact O-CB 3.47Å; F198-F202 PolarHBondContact O-N 2.9Å; F198-E218 HydrophobicContact CZ-CB 4.15Å; F198-F219 HydrophobicContact CE1-CB 4.37Å; F198-R222 HydrophobicContact CD1-CB 4.45Å; F198-R222 HydrophobicContact CD1-CG 4.38Å; F198-R222 HydrophobicContact CD2-CB 4.27Å; F198-R222 HydrophobicContact CD2-CG 3.72Å; F198-R222 HydrophobicContact CE1-CB 4.06Å; F198-R222 HydrophobicContact CE1-CG 4.42Å; F198-R222 HydrophobicContact CE2-CB 3.85Å; F198-R222 HydrophobicContact CE2-CG 3.76Å; F198-R222 HydrophobicContact CG-CG 4.02Å; F198-R222 HydrophobicContact CZ-CB 3.72Å; F198-R222 HydrophobicContact CZ-CG 4.11Å; F198-F223 HydrophobicContact CB-CE2 3.76Å; F198-F223 HydrophobicContact CB-CZ 3.71Å; F198-F223 HydrophobicContact CD1-CD2 4.41Å; F198-F223 AromaticContact CD1-CE2 3.57Å; F198-F223 HydrophobicContact CD1-CE2 3.57Å; F198-F223 HydrophobicContact CD1-CZ 4.37Å; F198-F223 HydrophobicContact CE1-CE2 4.36Å; F198-F223 AromaticContact CG-CE2 3.74Å; F198-F223 HydrophobicContact CG-CE2 3.74Å; F198-F223 HydrophobicContact CG-CZ 4.1Å
199L93.9Very high87.3Confident0 Ų069.2 Ų69.20%037%0.366CS..Hα-helixtrans-61.5-38.7-178.4-69.2171.4000111.2T195 L196 V203 L215 F219 L238 Y241 L242 F249T195-L199 HydrophobicContact CG2-CD1 3.79Å; T195-L199 HydrophobicContact CG2-CG 4.19Å; T195-L199 VanDerWaalsContact O-CG 3.26Å; T195-L199 WeakPolarHBondContact O-CG 3.42Å; T195-L199 PolarHBondContact O-N 2.99Å; L196-L199 PolarHBondContact O-N 2.92Å; L199-V203 WeakPolarHBondContact O-CG2 3.39Å; L199-V203 PolarHBondContact O-N 3.2Å; L199-V203 VanDerWaalsContact O-N 3.15Å; L199-L215 HydrophobicContact CD2-CD1 3.7Å; L199-L215 HydrophobicContact CD2-CD2 4.27Å; L199-L215 HydrophobicContact CD2-CG 3.85Å; L199-F219 HydrophobicContact CD2-CB 4.3Å; L199-L238 HydrophobicContact CD1-CD1 4Å; L199-Y241 HydrophobicContact CD1-CE1 4.44Å; L199-L242 HydrophobicContact CD1-CD2 4.09Å; L199-F249 HydrophobicContact CB-CZ 3.87Å
200R91.4Very high87.8Confident122 Ų12266.5 Ų66.546%0.4634%0.341SS..Hα-helixtrans-65-52.2175.8-177.4-179.4176.5179.2-0.9111.3L196 E197 F198 F202 V203 E204 I248 F249 L258L196-R200 WeakPolarHBondContact O-CB 3.4Å; L196-R200 PolarHBondContact O-N 3.07Å; E197-R200 PolarHBondContact O-N 3.33Å; F198-R200 VanDerWaalsContact C-N 3.26Å; F198-R200 PolarHBondContact O-N 3.37Å; R200-F202 PolarHBondContact O-N 3.42Å; R200-V203 PolarHBondContact O-N 3.36Å; R200-V203 VanDerWaalsContact O-N 3.1Å; R200-E204 WeakPolarHBondContact O-CB 3.22Å; R200-E204 PolarHBondContact O-N 2.86Å; R200-I248 HydrophobicContact CG-CG2 4.39Å; R200-F249 HydrophobicContact CB-CZ 4.41Å; R200-L258 HydrophobicContact CG-CD2 4.29Å
201S90.9Very high88.2Confident66 Ų6663.3 Ų63.346%0.46233%0.329SS..Hα-helixtrans-63.6-28-179.358.20000113E197 F198 P205E197-S201 WeakPolarHBondContact O-CB 3.48Å; E197-S201 PolarHBondContact O-N 2.73Å; E197-S201 PolarHBondContact O-OG 3.22Å; F198-S201 WeakPolarHBondContact CA-OG 3.4Å; F198-S201 PolarHBondContact O-N 3Å; F198-S201 PolarHBondContact O-OG 3.49Å; S201-P205 WeakPolarHBondContact O-CD 3.47Å
202F91.8Very high88.6Confident50 Ų5064.1 Ų64.122%0.21933%0.333CS..Hα-helixtrans-73.7-35.5173.5-170.7-94.3000113F198 R200 Q206 I210 L215 E218F198-F202 WeakPolarHBondContact O-CB 3.47Å; F198-F202 PolarHBondContact O-N 2.9Å; R200-F202 PolarHBondContact O-N 3.42Å; F202-Q206 VanDerWaalsContact O-CG 3.3Å; F202-Q206 WeakPolarHBondContact O-CG 3.4Å; F202-I210 HydrophobicContact CD1-CD1 3.99Å; F202-I210 HydrophobicContact CE1-CD1 3.96Å; F202-L215 HydrophobicContact CD1-CD1 3.63Å; F202-L215 HydrophobicContact CE1-CD1 4.27Å; F202-L215 HydrophobicContact CG-CD1 4.46Å; F202-E218 HydrophobicContact CD2-CB 4.45Å; F202-E218 HydrophobicContact CE1-CG 4.18Å; F202-E218 HydrophobicContact CE2-CB 4.07Å; F202-E218 HydrophobicContact CE2-CG 3.69Å; F202-E218 HydrophobicContact CZ-CB 4.13Å; F202-E218 HydrophobicContact CZ-CG 3.49Å; F202-E218 VanDerWaalsContact CZ-CG 3.49Å
203V91.4Very high88.7Confident5 Ų568.4 Ų68.43%0.0335%0.349CS..Hα-helixtrans-85.7-31.5-177.3179.90000112.8L199 R200 Q206 I210 L215 F249 L258L199-V203 WeakPolarHBondContact O-CG2 3.39Å; L199-V203 PolarHBondContact O-N 3.2Å; L199-V203 VanDerWaalsContact O-N 3.15Å; R200-V203 PolarHBondContact O-N 3.36Å; R200-V203 VanDerWaalsContact O-N 3.1Å; V203-Q206 WeakPolarHBondContact O-CB 3.3Å; V203-Q206 PolarHBondContact O-N 2.95Å; V203-I210 HydrophobicContact CB-CD1 4.15Å; V203-I210 HydrophobicContact CG1-CD1 4.23Å; V203-I210 HydrophobicContact CG2-CD1 3.76Å; V203-L215 HydrophobicContact CG2-CD1 3.91Å; V203-L215 HydrophobicContact CG2-CD2 4.38Å; V203-F249 HydrophobicContact CB-CE1 4.41Å; V203-F249 HydrophobicContact CG2-CE1 4.19Å; V203-L258 HydrophobicContact CB-CD2 4.45Å; V203-L258 HydrophobicContact CG1-CD2 4.26Å; V203-L258 HydrophobicContact CG1-CG 4.1Å
204E90.4Very high88.7Confident97 Ų9764 Ų6445%0.45333%0.332SS..THydrogen-bonded Turntrans-56.1-45.9-176.8-169.2159.5-118.700116R200 Q206 L258R200-E204 WeakPolarHBondContact O-CB 3.22Å; R200-E204 PolarHBondContact O-N 2.86Å; E204-Q206 PolarHBondContact O-N 3.09Å; E204-L258 HydrophobicContact CB-CD1 3.7Å; E204-L258 HydrophobicContact CG-CD1 3.76Å
205P89.2Confident88.8Confident97 Ų9761.3 Ų61.363%0.6332%0.318SS*.THydrogen-bonded Turntrans-76.1-2.3-179.529.9-35.2000113.7S201S201-P205 WeakPolarHBondContact O-CD 3.47Å
206Q84.6Confident88.8Confident84 Ų8461.9 Ų61.939%0.39332%0.32SS..  trans-88.3122.8-172.2-57.5-78.7-8.500110.2F202 V203 E204 S208 I210F202-Q206 VanDerWaalsContact O-CG 3.3Å; F202-Q206 WeakPolarHBondContact O-CG 3.4Å; V203-Q206 WeakPolarHBondContact O-CB 3.3Å; V203-Q206 PolarHBondContact O-N 2.95Å; E204-Q206 PolarHBondContact O-N 3.09Å; Q206-S208 VanDerWaalsContact C-N 3.29Å; Q206-S208 PolarHBondContact O-N 3.14Å; Q206-I210 HydrophobicContact CB-CD1 4.05Å; Q206-I210 HydrophobicContact CB-CG1 4.02Å; Q206-I210 HydrophobicContact CG-CD1 3.55Å; Q206-I210 HydrophobicContact CG-CG1 3.96Å
207E80.2Confident88.5Confident203 Ų20364 Ų6495%0.94933%0.326SS*.SBendtrans-70.9-26.9179.7-65.2-172.6159.600112.9
208S83.2Confident88.3Confident79 Ų7959.9 Ų59.955%0.55231%0.306SS*.SBendtrans-121.7153.5-176.169.30000112.3Q206 I210Q206-S208 VanDerWaalsContact C-N 3.29Å; Q206-S208 PolarHBondContact O-N 3.14Å; S208-I210 PolarHBondContact O-N 2.81Å
209P86.1Confident88Confident67 Ų6758.2 Ų58.244%0.43530%0.299SS..PPolyproline II helixtrans-59.3126.4176.9-24.734.8000112.8K255 V256P209-K255 HydrophobicContact CB-CB 3.79Å; P209-K255 HydrophobicContact CB-CG 4.43Å; P209-V256 CarbonylContact C-O 3.59Å; P209-V256 WeakPolarHBondContact CA-O 3.42Å
210I88.7Confident87.7Confident15 Ų1558.5 Ų58.58%0.07730%0.301CS..EExtended strand (participates in β ladder)trans-82.6145.3-176.7-48.3170.3000109.6F202 V203 Q206 S208 V214 K255 V256F202-I210 HydrophobicContact CD1-CD1 3.99Å; F202-I210 HydrophobicContact CE1-CD1 3.96Å; V203-I210 HydrophobicContact CB-CD1 4.15Å; V203-I210 HydrophobicContact CG1-CD1 4.23Å; V203-I210 HydrophobicContact CG2-CD1 3.76Å; Q206-I210 HydrophobicContact CB-CD1 4.05Å; Q206-I210 HydrophobicContact CB-CG1 4.02Å; Q206-I210 HydrophobicContact CG-CD1 3.55Å; Q206-I210 HydrophobicContact CG-CG1 3.96Å; S208-I210 PolarHBondContact O-N 2.81Å; I210-V214 HydrophobicContact CG2-CB 3.98Å; I210-V214 HydrophobicContact CG2-CG1 3.93Å; I210-K255 CarbonylContact O-C 3.58Å; I210-K255 VanDerWaalsContact O-CA 3.22Å; I210-K255 WeakPolarHBondContact O-CA 3.31Å; I210-V256 PolarHBondContact N-O 3.43Å; I210-V256 PolarHBondContact O-N 3.15Å
211S88.4Confident87.3Confident22 Ų2257 Ų5715%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-69.2141.8169.569.20000111.6E213 V214 L215 N254S211-E213 PolarHBondContact O-N 2.95Å; S211-V214 PolarHBondContact O-N 2.82Å; S211-V214 VanDerWaalsContact O-N 3.12Å; S211-V214 VanDerWaalsContact OG-CG2 3.27Å; S211-V214 WeakPolarHBondContact OG-CG2 3.27Å; S211-V214 PolarHBondContact OG-N 2.82Å; S211-L215 PolarHBondContact O-N 2.82Å; S211-L215 VanDerWaalsContact O-N 3.11Å; S211-N254 WeakPolarHBondContact CA-O 3.35Å
212L88.1Confident87.1Confident17 Ų1761.2 Ų61.29%0.08931%0.308CS..Hα-helixtrans-54.5-35.4173.8-178.475.9000111.9L215 Y216 P235 L238 M239 L242 N254 V256L212-L215 PolarHBondContact O-N 3.34Å; L212-Y216 VanDerWaalsContact O-CB 3.28Å; L212-Y216 WeakPolarHBondContact O-CB 3.47Å; L212-Y216 PolarHBondContact O-N 3.29Å; L212-P235 HydrophobicContact CD2-CB 3.94Å; L212-P235 WeakPolarHBondContact CD2-O 3.42Å; L212-P235 HydrophobicContact CG-CB 4.42Å; L212-L238 HydrophobicContact CD1-CD2 4.44Å; L212-L238 HydrophobicContact CD1-CG 4.43Å; L212-M239 HydrophobicContact CB-CE 4.15Å; L212-M239 HydrophobicContact CD1-CB 4.01Å; L212-M239 HydrophobicContact CD1-CE 3.99Å; L212-M239 HydrophobicContact CD1-SD 4.47Å; L212-M239 HydrophobicContact CD2-CB 3.83Å; L212-M239 HydrophobicContact CD2-CE 3.62Å; L212-M239 HydrophobicContact CD2-CG 4.48Å; L212-M239 HydrophobicContact CG-CE 4.11Å; L212-L242 HydrophobicContact CD1-CD1 4.08Å; L212-N254 PolarHBondContact N-O 2.79Å; L212-V256 HydrophobicContact CD1-CG2 4.37Å
213E84.9Confident86.8Confident112 Ų11259.3 Ų59.352%0.52330%0.299SS..Hα-helixtrans-62-45.1177.7-67.3-174.6170.800112.5S211 Y216 R217S211-E213 PolarHBondContact O-N 2.95Å; E213-Y216 PolarHBondContact O-N 3.01Å; E213-R217 PolarHBondContact O-N 3.03Å
214V85.5Confident86.3Confident45 Ų4562.5 Ų62.527%0.27332%0.32SS..Hα-helixtrans-65.8-45.3177.9169.50000110.1I210 S211 Y216 R217 E218I210-V214 HydrophobicContact CG2-CB 3.98Å; I210-V214 HydrophobicContact CG2-CG1 3.93Å; S211-V214 PolarHBondContact O-N 2.82Å; S211-V214 VanDerWaalsContact O-N 3.12Å; S211-V214 VanDerWaalsContact OG-CG2 3.27Å; S211-V214 WeakPolarHBondContact OG-CG2 3.27Å; S211-V214 PolarHBondContact OG-N 2.82Å; V214-Y216 VanDerWaalsContact C-N 3.33Å; V214-Y216 PolarHBondContact O-N 3.3Å; V214-R217 PolarHBondContact O-N 2.96Å; V214-E218 PolarHBondContact O-N 2.83Å; V214-E218 VanDerWaalsContact O-N 3.09Å
215L89.9Confident85.5Confident0 Ų059.7 Ų59.70%031%0.308CS..Hα-helixtrans-60.8-42.4178.6-172.863.9000111.9L199 F202 V203 S211 L212 E218 F219 L238 L242 V256L199-L215 HydrophobicContact CD2-CD1 3.7Å; L199-L215 HydrophobicContact CD2-CD2 4.27Å; L199-L215 HydrophobicContact CD2-CG 3.85Å; F202-L215 HydrophobicContact CD1-CD1 3.63Å; F202-L215 HydrophobicContact CE1-CD1 4.27Å; F202-L215 HydrophobicContact CG-CD1 4.46Å; V203-L215 HydrophobicContact CG2-CD1 3.91Å; V203-L215 HydrophobicContact CG2-CD2 4.38Å; S211-L215 PolarHBondContact O-N 2.82Å; S211-L215 VanDerWaalsContact O-N 3.11Å; L212-L215 PolarHBondContact O-N 3.34Å; L215-E218 PolarHBondContact O-N 3.03Å; L215-F219 WeakPolarHBondContact O-CB 3.08Å; L215-F219 PolarHBondContact O-N 3.21Å; L215-L238 HydrophobicContact CG-CD2 4.46Å; L215-L242 HydrophobicContact CD2-CD1 3.75Å; L215-V256 HydrophobicContact CD2-CB 4.26Å; L215-V256 HydrophobicContact CD2-CG1 4.18Å; L215-V256 HydrophobicContact CD2-CG2 4.21Å
216Y89.7Confident84.8Confident13 Ų1358.4 Ų58.45%0.05130%0.301CS..Hα-helixtrans-65-38.5177.5-180-103000112.6L212 E213 V214 F219 C220 T233 N234 P235 L238L212-Y216 VanDerWaalsContact O-CB 3.28Å; L212-Y216 WeakPolarHBondContact O-CB 3.47Å; L212-Y216 PolarHBondContact O-N 3.29Å; E213-Y216 PolarHBondContact O-N 3.01Å; V214-Y216 VanDerWaalsContact C-N 3.33Å; V214-Y216 PolarHBondContact O-N 3.3Å; Y216-F219 HydrophobicContact CD2-CD1 4.04Å; Y216-F219 HydrophobicContact CE2-CD1 4.13Å; Y216-F219 HydrophobicContact CE2-CE1 4.29Å; Y216-F219 WeakPolarHBondContact O-CB 3.31Å; Y216-F219 PolarHBondContact O-N 3.03Å; Y216-C220 PolarHBondContact O-N 3.48Å; Y216-C220 PolarHBondContact O-SG 2.94Å; Y216-T233 PolarHBondContact OH-O 3.3Å; Y216-N234 VanDerWaalsContact CE2-C 3.44Å; Y216-N234 WeakPolarHBondContact OH-CA 3.44Å; Y216-N234 PolarHBondContact OH-N 3.46Å; Y216-P235 HydrophobicContact CD1-CG 3.72Å; Y216-P235 HydrophobicContact CD2-CG 4.42Å; Y216-P235 HydrophobicContact CE1-CG 4.09Å; Y216-P235 HydrophobicContact CG-CB 4.38Å; Y216-P235 HydrophobicContact CG-CG 3.9Å; Y216-L238 HydrophobicContact CD2-CB 4.14Å; Y216-L238 HydrophobicContact CD2-CD2 3.89Å; Y216-L238 HydrophobicContact CG-CD2 4.39Å
217R84.7Confident84.7Confident79 Ų7954.9 Ų54.930%0.29829%0.286SS..Hα-helixtrans-62.6-48175.5-175.5-179.164.2-151.5-2.3111.4E213 V214 F219 C220 N221E213-R217 PolarHBondContact O-N 3.03Å; V214-R217 PolarHBondContact O-N 2.96Å; R217-F219 VanDerWaalsContact C-N 3.33Å; R217-F219 PolarHBondContact O-N 3.22Å; R217-C220 PolarHBondContact O-N 2.83Å; R217-C220 VanDerWaalsContact O-N 3.09Å; R217-N221 VanDerWaalsContact O-CG 3.28Å; R217-N221 PolarHBondContact O-N 3.13Å; R217-N221 PolarHBondContact O-ND2 2.85Å
218E86.9Confident84.9Confident49 Ų4945.7 Ų45.723%0.22924%0.243CC..Hα-helixtrans-67.3-35.5179.7-60.3-44.7135.300112.4F198 F202 V214 L215 C220 N221 R222F198-E218 HydrophobicContact CZ-CB 4.15Å; F202-E218 HydrophobicContact CD2-CB 4.45Å; F202-E218 HydrophobicContact CE1-CG 4.18Å; F202-E218 HydrophobicContact CE2-CB 4.07Å; F202-E218 HydrophobicContact CE2-CG 3.69Å; F202-E218 HydrophobicContact CZ-CB 4.13Å; F202-E218 HydrophobicContact CZ-CG 3.49Å; F202-E218 VanDerWaalsContact CZ-CG 3.49Å; V214-E218 PolarHBondContact O-N 2.83Å; V214-E218 VanDerWaalsContact O-N 3.09Å; L215-E218 PolarHBondContact O-N 3.03Å; E218-C220 VanDerWaalsContact C-N 3.32Å; E218-C220 PolarHBondContact O-N 3.34Å; E218-N221 PolarHBondContact O-N 3.31Å; E218-N221 PolarHBondContact OE2-ND2 3.44Å; E218-R222 WeakPolarHBondContact O-CB 3.41Å; E218-R222 PolarHBondContact O-N 3.15Å
219F88.7Confident84.9Confident0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-57.9-42.9168.7165-107.1000112.4T195 F198 L199 L215 Y216 R217 R222 F223 R228 V231 A232T195-F219 HydrophobicContact CG2-CD2 3.78Å; T195-F219 HydrophobicContact CG2-CE2 3.46Å; T195-F219 VanDerWaalsContact CG2-CE2 3.46Å; F198-F219 HydrophobicContact CE1-CB 4.37Å; L199-F219 HydrophobicContact CD2-CB 4.3Å; L215-F219 WeakPolarHBondContact O-CB 3.08Å; L215-F219 PolarHBondContact O-N 3.21Å; Y216-F219 HydrophobicContact CD2-CD1 4.04Å; Y216-F219 HydrophobicContact CE2-CD1 4.13Å; Y216-F219 HydrophobicContact CE2-CE1 4.29Å; Y216-F219 WeakPolarHBondContact O-CB 3.31Å; Y216-F219 PolarHBondContact O-N 3.03Å; R217-F219 VanDerWaalsContact C-N 3.33Å; R217-F219 PolarHBondContact O-N 3.22Å; F219-R222 PolarHBondContact O-N 3.33Å; F219-F223 AromaticContact CD2-CD2 3.56Å; F219-F223 HydrophobicContact CD2-CD2 3.56Å; F219-F223 HydrophobicContact CD2-CE2 4.13Å; F219-F223 HydrophobicContact CE2-CB 4.47Å; F219-F223 AromaticContact CE2-CD2 3.77Å; F219-F223 HydrophobicContact CE2-CD2 3.77Å; F219-F223 HydrophobicContact CE2-CE2 4.46Å; F219-F223 HydrophobicContact CE2-CG 4.45Å; F219-F223 PolarHBondContact O-N 3.1Å; F219-R228 HydrophobicContact CD1-CG 4.48Å; F219-R228 HydrophobicContact CE1-CB 4.19Å; F219-R228 HydrophobicContact CE1-CG 3.7Å; F219-R228 HydrophobicContact CE2-CG 4.25Å; F219-R228 HydrophobicContact CZ-CB 4Å; F219-R228 HydrophobicContact CZ-CG 3.59Å; F219-V231 HydrophobicContact CE2-CB 4.45Å; F219-V231 HydrophobicContact CZ-CB 4.15Å; F219-V231 HydrophobicContact CZ-CG1 4.44Å; F219-A232 HydrophobicContact CE1-CB 4.19Å; F219-A232 VanDerWaalsContact CE1-O 3.31Å; F219-A232 WeakPolarHBondContact CE1-O 3.39Å
220C86.2Confident84.7Confident7 Ų749.4 Ų49.45%0.04724%0.243CC..Hα-helixtrans-69.9-32.6176.3-68.90000113.9Y216 R217 E218 R222 R228Y216-C220 PolarHBondContact O-N 3.48Å; Y216-C220 PolarHBondContact O-SG 2.94Å; R217-C220 PolarHBondContact O-N 2.83Å; R217-C220 VanDerWaalsContact O-N 3.09Å; E218-C220 VanDerWaalsContact C-N 3.32Å; E218-C220 PolarHBondContact O-N 3.34Å; C220-R222 VanDerWaalsContact C-N 3.33Å; C220-R228 PolarHBondContact SG-NH1 2.76Å; C220-R228 VanDerWaalsContact SG-NH1 3.43Å
221N84.3Confident84.6Confident89 Ų8949.4 Ų49.448%0.47624%0.244SC..Hα-helixtrans-71.4-31.5174.9-66.4-19.3000111.7R217 E218R217-N221 VanDerWaalsContact O-CG 3.28Å; R217-N221 PolarHBondContact O-N 3.13Å; R217-N221 PolarHBondContact O-ND2 2.85Å; E218-N221 PolarHBondContact O-N 3.31Å; E218-N221 PolarHBondContact OE2-ND2 3.44Å
222R85.7Confident84.5Confident156 Ų15648.4 Ų48.459%0.58924%0.236SC*.Hα-helixtrans-81.3-40.8-178.3-177.459.4175.7162.1-0.1113.3F198 E218 F219 C220F198-R222 HydrophobicContact CD1-CB 4.45Å; F198-R222 HydrophobicContact CD1-CG 4.38Å; F198-R222 HydrophobicContact CD2-CB 4.27Å; F198-R222 HydrophobicContact CD2-CG 3.72Å; F198-R222 HydrophobicContact CE1-CB 4.06Å; F198-R222 HydrophobicContact CE1-CG 4.42Å; F198-R222 HydrophobicContact CE2-CB 3.85Å; F198-R222 HydrophobicContact CE2-CG 3.76Å; F198-R222 HydrophobicContact CG-CG 4.02Å; F198-R222 HydrophobicContact CZ-CB 3.72Å; F198-R222 HydrophobicContact CZ-CG 4.11Å; E218-R222 WeakPolarHBondContact O-CB 3.41Å; E218-R222 PolarHBondContact O-N 3.15Å; F219-R222 PolarHBondContact O-N 3.33Å; C220-R222 VanDerWaalsContact C-N 3.33Å
223F86Confident84.1Confident9 Ų949.5 Ų49.54%0.03924%0.244CC..SBendtrans-115.6133.8-168.2-64.7-70.1000113.5I194 T195 F198 F219 V227 R228I194-F223 HydrophobicContact CG2-CE1 3.93Å; I194-F223 HydrophobicContact CG2-CZ 4.22Å; T195-F223 HydrophobicContact CG2-CE2 4.19Å; F198-F223 HydrophobicContact CB-CE2 3.76Å; F198-F223 HydrophobicContact CB-CZ 3.71Å; F198-F223 HydrophobicContact CD1-CD2 4.41Å; F198-F223 AromaticContact CD1-CE2 3.57Å; F198-F223 HydrophobicContact CD1-CE2 3.57Å; F198-F223 HydrophobicContact CD1-CZ 4.37Å; F198-F223 HydrophobicContact CE1-CE2 4.36Å; F198-F223 AromaticContact CG-CE2 3.74Å; F198-F223 HydrophobicContact CG-CE2 3.74Å; F198-F223 HydrophobicContact CG-CZ 4.1Å; F219-F223 AromaticContact CD2-CD2 3.56Å; F219-F223 HydrophobicContact CD2-CD2 3.56Å; F219-F223 HydrophobicContact CD2-CE2 4.13Å; F219-F223 HydrophobicContact CE2-CB 4.47Å; F219-F223 AromaticContact CE2-CD2 3.77Å; F219-F223 HydrophobicContact CE2-CD2 3.77Å; F219-F223 HydrophobicContact CE2-CE2 4.46Å; F219-F223 HydrophobicContact CE2-CG 4.45Å; F219-F223 PolarHBondContact O-N 3.1Å; F223-V227 HydrophobicContact CB-CB 4.17Å; F223-V227 HydrophobicContact CB-CG1 4.07Å; F223-V227 HydrophobicContact CD1-CB 4.37Å; F223-V227 HydrophobicContact CD1-CG1 3.76Å; F223-V227 HydrophobicContact CE1-CG1 4.46Å; F223-V227 HydrophobicContact CG-CG1 4.02Å; F223-R228 HydrophobicContact CB-CG 4.04Å; F223-R228 PolarHBondContact O-NE 3.37Å
224P80.2Confident83.9Confident72 Ų7246.6 Ų46.647%0.46823%0.232SC..  trans-66.4163.417430.1-35.1000111.1S226 V227 R228P224-S226 PolarHBondContact O-N 2.96Å; P224-V227 HydrophobicContact CG-CB 4.5Å; P224-V227 HydrophobicContact CG-CG2 4.08Å; P224-V227 PolarHBondContact O-N 3.35Å; P224-V227 VanDerWaalsContact O-N 3.13Å; P224-R228 WeakPolarHBondContact O-CG 3.49Å; P224-R228 PolarHBondContact O-N 3.32Å
225L73.9Confident83.7Confident38 Ų3846.8 Ų46.820%0.19923%0.234CC..Hα-helixtrans-58.5-32.3-177-176.463.6000113.1V227 R228 K229L225-V227 PolarHBondContact O-N 3.11Å; L225-R228 PolarHBondContact O-N 3.48Å; L225-K229 HydrophobicContact CD1-CG 4.15Å; L225-K229 HydrophobicContact CG-CD 4.32Å; L225-K229 HydrophobicContact CG-CG 4.28Å; L225-K229 WeakPolarHBondContact O-CG 3.49Å; L225-K229 PolarHBondContact O-N 3.47Å
226S75.2Confident83.2Confident70 Ų7055.3 Ų55.349%0.4927%0.271SS..Hα-helixtrans-55.6-49.8175.846.80000111.4P224 H230P224-S226 PolarHBondContact O-N 2.96Å; S226-H230 PolarHBondContact O-CD2 3.36Å; S226-H230 PolarHBondContact O-NE2 3.37Å
227V81.4Confident83.1Confident11 Ų1158.3 Ų58.37%0.06729%0.286CS..Hα-helixtrans-70-43.4176.4177.40000111L186 A191 F223 P224 L225 K229 H230L186-V227 HydrophobicContact CD1-CG2 3.98Å; A191-V227 HydrophobicContact CB-CG1 4.1Å; F223-V227 HydrophobicContact CB-CB 4.17Å; F223-V227 HydrophobicContact CB-CG1 4.07Å; F223-V227 HydrophobicContact CD1-CB 4.37Å; F223-V227 HydrophobicContact CD1-CG1 3.76Å; F223-V227 HydrophobicContact CE1-CG1 4.46Å; F223-V227 HydrophobicContact CG-CG1 4.02Å; P224-V227 HydrophobicContact CG-CB 4.5Å; P224-V227 HydrophobicContact CG-CG2 4.08Å; P224-V227 PolarHBondContact O-N 3.35Å; P224-V227 VanDerWaalsContact O-N 3.13Å; L225-V227 PolarHBondContact O-N 3.11Å; V227-K229 VanDerWaalsContact C-N 3.3Å; V227-K229 PolarHBondContact O-N 2.67Å; V227-H230 WeakPolarHBondContact O-CB 3.31Å; V227-H230 PolarHBondContact O-N 3.15Å; V227-H230 VanDerWaalsContact O-N 3.09Å
228R84.4Confident83.3Confident10 Ų1054.6 Ų54.64%0.03827%0.272CS..Hα-helixtrans-59.2-38.1-177.3-70.9-166.6-90.514312.8113.4E117 F219 C220 F223 P224 L225 H230 V231 A232E117-R228 IonicContact OE2-CZ 2.77Å; E117-R228 IonicContact OE2-NH2 3.4Å; E117-R228 PolarHBondContact OE2-NH2 2.84Å; F219-R228 HydrophobicContact CD1-CG 4.48Å; F219-R228 HydrophobicContact CE1-CB 4.19Å; F219-R228 HydrophobicContact CE1-CG 3.7Å; F219-R228 HydrophobicContact CE2-CG 4.25Å; F219-R228 HydrophobicContact CZ-CB 4Å; F219-R228 HydrophobicContact CZ-CG 3.59Å; C220-R228 PolarHBondContact SG-NH1 2.76Å; C220-R228 VanDerWaalsContact SG-NH1 3.43Å; F223-R228 HydrophobicContact CB-CG 4.04Å; F223-R228 PolarHBondContact O-NE 3.37Å; P224-R228 WeakPolarHBondContact O-CG 3.49Å; P224-R228 PolarHBondContact O-N 3.32Å; L225-R228 PolarHBondContact O-N 3.48Å; R228-H230 PolarHBondContact O-N 3.32Å; R228-H230 VanDerWaalsContact O-N 3.17Å; R228-V231 PolarHBondContact O-N 3.47Å; R228-A232 CarbonylContact O-C 3.6Å; R228-A232 VanDerWaalsContact O-C 3.27Å; R228-A232 PolarHBondContact O-N 2.94Å
229K83.2Confident83.3Confident138 Ų13853.2 Ų53.260%0.627%0.266SS*.Hα-helixtrans-59.4-24.8178.5-78.7176.4176.9-179.90113.8L225 V227 T233L225-K229 HydrophobicContact CD1-CG 4.15Å; L225-K229 HydrophobicContact CG-CD 4.32Å; L225-K229 HydrophobicContact CG-CG 4.28Å; L225-K229 WeakPolarHBondContact O-CG 3.49Å; L225-K229 PolarHBondContact O-N 3.47Å; V227-K229 VanDerWaalsContact C-N 3.3Å; V227-K229 PolarHBondContact O-N 2.67Å; K229-T233 HydrophobicContact CG-CG2 4.16Å
230H83.5Confident83.2Confident85 Ų8559.8 Ų59.839%0.39430%0.296SS..Hα-helixtrans-82.6-16.6177.2-64.3-65.4000113.5E188 A191 S226 V227 R228E188-H230 HydrophobicContact CG-CB 4.24Å; A191-H230 HydrophobicContact CB-CB 4.04Å; S226-H230 PolarHBondContact O-CD2 3.36Å; S226-H230 PolarHBondContact O-NE2 3.37Å; V227-H230 WeakPolarHBondContact O-CB 3.31Å; V227-H230 PolarHBondContact O-N 3.15Å; V227-H230 VanDerWaalsContact O-N 3.09Å; R228-H230 PolarHBondContact O-N 3.32Å; R228-H230 VanDerWaalsContact O-N 3.17Å
231V85.6Confident83.3Confident16 Ų1661.1 Ų61.110%0.09730%0.301CS..Hα-helixtrans-118.5-60.1-175.9-176.30000111.9T195 F219 R228 Y241T195-V231 HydrophobicContact CG2-CB 4.37Å; T195-V231 HydrophobicContact CG2-CG1 3.96Å; T195-V231 HydrophobicContact CG2-CG2 4.09Å; F219-V231 HydrophobicContact CE2-CB 4.45Å; F219-V231 HydrophobicContact CZ-CB 4.15Å; F219-V231 HydrophobicContact CZ-CG1 4.44Å; R228-V231 PolarHBondContact O-N 3.47Å; V231-Y241 HydrophobicContact CG1-CD1 3.57Å; V231-Y241 HydrophobicContact CG1-CD2 3.86Å; V231-Y241 HydrophobicContact CG1-CE1 3.65Å; V231-Y241 HydrophobicContact CG1-CE2 3.93Å; V231-Y241 HydrophobicContact CG1-CG 3.67Å
232A85.7Confident83.6Confident0 Ų056.9 Ų56.90%028%0.278CS..  trans-162135.5-17900000112.2F219 R228 E237 L238F219-A232 HydrophobicContact CE1-CB 4.19Å; F219-A232 VanDerWaalsContact CE1-O 3.31Å; F219-A232 WeakPolarHBondContact CE1-O 3.39Å; R228-A232 CarbonylContact O-C 3.6Å; R228-A232 VanDerWaalsContact O-C 3.27Å; R228-A232 PolarHBondContact O-N 2.94Å; A232-E237 HydrophobicContact CB-CB 3.85Å; A232-L238 HydrophobicContact CB-CB 3.68Å; A232-L238 HydrophobicContact CB-CD1 4.3Å; A232-L238 VanDerWaalsContact CB-N 3.31Å
233T81.2Confident83.6Confident40 Ų4054.4 Ų54.425%0.24527%0.271CS..SBendtrans-107.6-4.8174.168.30000113.5Y216 K229 E237Y216-T233 PolarHBondContact OH-O 3.3Å; K229-T233 HydrophobicContact CG-CG2 4.16Å; T233-E237 WeakPolarHBondContact CA-OE2 3.48Å; T233-E237 WeakPolarHBondContact CB-OE2 3.21Å; T233-E237 PolarHBondContact N-OE2 2.86Å; T233-E237 PolarHBondContact OG1-OE1 2.81Å; T233-E237 PolarHBondContact OG1-OE2 2.86Å
234N79.5Confident83.7Confident52 Ų5258.9 Ų58.928%0.27830%0.299SS..SBendtrans-151.4166.3174.861.167.8000111Y216 K236 E237 L238Y216-N234 VanDerWaalsContact CE2-C 3.44Å; Y216-N234 WeakPolarHBondContact OH-CA 3.44Å; Y216-N234 PolarHBondContact OH-N 3.46Å; N234-K236 VanDerWaalsContact C-N 3.29Å; N234-K236 PolarHBondContact O-N 3.38Å; N234-K236 WeakPolarHBondContact OD1-CB 3.44Å; N234-K236 PolarHBondContact OD1-N 3.19Å; N234-K236 VanDerWaalsContact OD1-N 3.1Å; N234-E237 PolarHBondContact ND2-OE1 2.97Å; N234-E237 PolarHBondContact O-N 3.25Å; N234-E237 PolarHBondContact OD1-N 3.24Å; N234-L238 PolarHBondContact O-N 2.8Å; N234-L238 VanDerWaalsContact O-N 3.11Å
235P81.4Confident83.9Confident48 Ų4856.7 Ų56.731%0.31228%0.283SS..Hα-helixtrans-59.4-34.6-179.1-26.534.2000114.3L212 Y216 L238 M239L212-P235 HydrophobicContact CD2-CB 3.94Å; L212-P235 WeakPolarHBondContact CD2-O 3.42Å; L212-P235 HydrophobicContact CG-CB 4.42Å; Y216-P235 HydrophobicContact CD1-CG 3.72Å; Y216-P235 HydrophobicContact CD2-CG 4.42Å; Y216-P235 HydrophobicContact CE1-CG 4.09Å; Y216-P235 HydrophobicContact CG-CB 4.38Å; Y216-P235 HydrophobicContact CG-CG 3.9Å; P235-L238 PolarHBondContact O-N 2.74Å; P235-M239 WeakPolarHBondContact O-CB 3.41Å; P235-M239 PolarHBondContact O-N 2.89Å
236K80.8Confident84.4Confident179 Ų17962.6 Ų62.678%0.77830%0.303SS*.Hα-helixtrans-66.2-41.8-179.8-69.9-176.4179.3179.30111.4N234 M239 Q240N234-K236 VanDerWaalsContact C-N 3.29Å; N234-K236 PolarHBondContact O-N 3.38Å; N234-K236 WeakPolarHBondContact OD1-CB 3.44Å; N234-K236 PolarHBondContact OD1-N 3.19Å; N234-K236 VanDerWaalsContact OD1-N 3.1Å; K236-M239 WeakPolarHBondContact O-CB 3.21Å; K236-M239 PolarHBondContact O-N 3.14Å; K236-Q240 PolarHBondContact O-N 3.43Å
237E86.2Confident84.9Confident77 Ų7765.2 Ų65.236%0.3631%0.307SS..Hα-helixtrans-63.2-44173.7-75.7168.5-157.500111.2A232 T233 N234 M239 Q240 Y241A232-E237 HydrophobicContact CB-CB 3.85Å; T233-E237 WeakPolarHBondContact CA-OE2 3.48Å; T233-E237 WeakPolarHBondContact CB-OE2 3.21Å; T233-E237 PolarHBondContact N-OE2 2.86Å; T233-E237 PolarHBondContact OG1-OE1 2.81Å; T233-E237 PolarHBondContact OG1-OE2 2.86Å; N234-E237 PolarHBondContact ND2-OE1 2.97Å; N234-E237 PolarHBondContact O-N 3.25Å; N234-E237 PolarHBondContact OD1-N 3.24Å; E237-M239 VanDerWaalsContact C-N 3.3Å; E237-M239 PolarHBondContact O-N 2.97Å; E237-Q240 WeakPolarHBondContact O-CB 3.26Å; E237-Q240 PolarHBondContact O-N 2.85Å; E237-Q240 VanDerWaalsContact O-N 3.1Å; E237-Y241 PolarHBondContact O-N 3.32Å
238L89.3Confident85.3Confident0 Ų066 Ų660%031%0.311CS..Hα-helixtrans-61.6-41.5176.2-177.562.5000111.3L199 L212 L215 Y216 A232 N234 P235 Q240 Y241 L242L199-L238 HydrophobicContact CD1-CD1 4Å; L212-L238 HydrophobicContact CD1-CD2 4.44Å; L212-L238 HydrophobicContact CD1-CG 4.43Å; L215-L238 HydrophobicContact CG-CD2 4.46Å; Y216-L238 HydrophobicContact CD2-CB 4.14Å; Y216-L238 HydrophobicContact CD2-CD2 3.89Å; Y216-L238 HydrophobicContact CG-CD2 4.39Å; A232-L238 HydrophobicContact CB-CB 3.68Å; A232-L238 HydrophobicContact CB-CD1 4.3Å; A232-L238 VanDerWaalsContact CB-N 3.31Å; N234-L238 PolarHBondContact O-N 2.8Å; N234-L238 VanDerWaalsContact O-N 3.11Å; P235-L238 PolarHBondContact O-N 2.74Å; L238-Q240 VanDerWaalsContact C-N 3.32Å; L238-Q240 PolarHBondContact O-N 3.03Å; L238-Y241 PolarHBondContact O-N 2.97Å; L238-L242 HydrophobicContact CD1-CG 4.39Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.1Å
239M86.9Confident85.6Confident21 Ų2165.6 Ų65.610%0.10331%0.309CS..Hα-helixtrans-60.4-41.4174.5176.364.981.400111.9L212 P235 K236 E237 K243 I251 S253L212-M239 HydrophobicContact CB-CE 4.15Å; L212-M239 HydrophobicContact CD1-CB 4.01Å; L212-M239 HydrophobicContact CD1-CE 3.99Å; L212-M239 HydrophobicContact CD1-SD 4.47Å; L212-M239 HydrophobicContact CD2-CB 3.83Å; L212-M239 HydrophobicContact CD2-CE 3.62Å; L212-M239 HydrophobicContact CD2-CG 4.48Å; L212-M239 HydrophobicContact CG-CE 4.11Å; P235-M239 WeakPolarHBondContact O-CB 3.41Å; P235-M239 PolarHBondContact O-N 2.89Å; K236-M239 WeakPolarHBondContact O-CB 3.21Å; K236-M239 PolarHBondContact O-N 3.14Å; E237-M239 VanDerWaalsContact C-N 3.3Å; E237-M239 PolarHBondContact O-N 2.97Å; M239-K243 WeakPolarHBondContact O-CB 3.29Å; M239-K243 VanDerWaalsContact O-CG 3.27Å; M239-K243 WeakPolarHBondContact O-CG 3.49Å; M239-K243 PolarHBondContact O-N 2.91Å; M239-I251 HydrophobicContact CE-CG2 3.83Å; M239-I251 HydrophobicContact SD-CD1 4.08Å; M239-I251 HydrophobicContact SD-CG2 3.3Å; M239-I251 WeakPolarHBondContact SD-CG2 3.35Å; M239-S253 WeakPolarHBondContact CE-O 3.34Å
240Q86.4Confident85.7Confident137 Ų13764 Ų6464%0.6430%0.302SS*.Hα-helixtrans-67-40.3176.7-174.2169.9-3.300111.8K236 E237 L238 K243 T244K236-Q240 PolarHBondContact O-N 3.43Å; E237-Q240 WeakPolarHBondContact O-CB 3.26Å; E237-Q240 PolarHBondContact O-N 2.85Å; E237-Q240 VanDerWaalsContact O-N 3.1Å; L238-Q240 VanDerWaalsContact C-N 3.32Å; L238-Q240 PolarHBondContact O-N 3.03Å; Q240-K243 WeakPolarHBondContact O-CB 3.48Å; Q240-K243 PolarHBondContact O-N 3.37Å; Q240-T244 PolarHBondContact O-N 2.89Å
241Y88.6Confident85.8Confident36 Ų3661.6 Ų61.614%0.14129%0.292CS..Hα-helixtrans-61.6-49.1173.8-177.6-100.3000111.6A192 L199 V231 E237 L238 K243 T244 M245A192-Y241 PolarHBondContact O-OH 3.1Å; L199-Y241 HydrophobicContact CD1-CE1 4.44Å; V231-Y241 HydrophobicContact CG1-CD1 3.57Å; V231-Y241 HydrophobicContact CG1-CD2 3.86Å; V231-Y241 HydrophobicContact CG1-CE1 3.65Å; V231-Y241 HydrophobicContact CG1-CE2 3.93Å; V231-Y241 HydrophobicContact CG1-CG 3.67Å; E237-Y241 PolarHBondContact O-N 3.32Å; L238-Y241 PolarHBondContact O-N 2.97Å; Y241-K243 PolarHBondContact O-N 2.98Å; Y241-T244 PolarHBondContact O-N 3.03Å; Y241-T244 PolarHBondContact O-OG1 3.36Å; Y241-M245 HydrophobicContact CD1-SD 4.2Å; Y241-M245 HydrophobicContact CE1-CE 4Å; Y241-M245 HydrophobicContact CE1-SD 3.53Å; Y241-M245 VanDerWaalsContact CE1-SD 3.53Å; Y241-M245 HydrophobicContact CE2-CE 4.34Å; Y241-M245 WeakPolarHBondContact OH-CE 3.36Å
242L90.9Very high85.5Confident0 Ų069.6 Ų69.60%032%0.321CS..Hα-helixtrans-61.6-31.5176.2-65.4170.1000112.3L199 L212 L215 L238 T244 M245 F249 I251 V256L199-L242 HydrophobicContact CD1-CD2 4.09Å; L212-L242 HydrophobicContact CD1-CD1 4.08Å; L215-L242 HydrophobicContact CD2-CD1 3.75Å; L238-L242 HydrophobicContact CD1-CG 4.39Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.1Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 2.81Å; L242-M245 CarbonylContact O-C 3.55Å; L242-M245 PolarHBondContact O-N 3.08Å; L242-M245 VanDerWaalsContact O-N 3.08Å; L242-F249 HydrophobicContact CD2-CD1 4.34Å; L242-F249 HydrophobicContact CD2-CD2 3.5Å; L242-F249 HydrophobicContact CD2-CE1 4.38Å; L242-F249 HydrophobicContact CD2-CE2 3.53Å; L242-F249 HydrophobicContact CD2-CG 3.92Å; L242-F249 HydrophobicContact CD2-CZ 4Å; L242-I251 HydrophobicContact CB-CD1 3.58Å; L242-V256 HydrophobicContact CD1-CG1 4.25Å; L242-V256 HydrophobicContact CD1-CG2 3.96Å
243K86Confident85.2Confident104 Ų10474.9 Ų74.945%0.45236%0.358SS..Hα-helixtrans-69.3-18.1174.7-81.1175.9179.8-179.90113.8M239 Q240 Y241 M245 R246 I251M239-K243 WeakPolarHBondContact O-CB 3.29Å; M239-K243 VanDerWaalsContact O-CG 3.27Å; M239-K243 WeakPolarHBondContact O-CG 3.49Å; M239-K243 PolarHBondContact O-N 2.91Å; Q240-K243 WeakPolarHBondContact O-CB 3.48Å; Q240-K243 PolarHBondContact O-N 3.37Å; Y241-K243 PolarHBondContact O-N 2.98Å; K243-M245 VanDerWaalsContact C-N 3.31Å; K243-R246 VanDerWaalsContact O-CG 3.29Å; K243-R246 WeakPolarHBondContact O-CG 3.31Å; K243-R246 PolarHBondContact O-NE 3.3Å; K243-I251 HydrophobicContact CB-CD1 4.41Å; K243-I251 HydrophobicContact CG-CD1 3.72Å
244T86.7Confident85.3Confident102 Ų10277 Ų7763%0.62637%0.368SS*.Hα-helixtrans-79.9-2417071.30000110.3Q240 Y241 L242 R246Q240-T244 PolarHBondContact O-N 2.89Å; Y241-T244 PolarHBondContact O-N 3.03Å; Y241-T244 PolarHBondContact O-OG1 3.36Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 2.81Å; T244-R246 PolarHBondContact O-N 3.1Å
245M86.1Confident85.6Confident27 Ų2778.8 Ų78.813%0.13337%0.373CS..  trans-99.737.4-178-63.1176.6151.600113.5L196 Y241 L242 K243 H247 I248 F249L196-M245 HydrophobicContact CB-CE 4.11Å; L196-M245 HydrophobicContact CB-SD 4.5Å; L196-M245 HydrophobicContact CD1-CE 3.76Å; L196-M245 HydrophobicContact CD1-SD 3.25Å; L196-M245 WeakPolarHBondContact CD1-SD 3.39Å; L196-M245 HydrophobicContact CD2-CE 3.47Å; L196-M245 VanDerWaalsContact CD2-CE 3.47Å; L196-M245 HydrophobicContact CD2-SD 4.13Å; L196-M245 HydrophobicContact CG-CE 3.94Å; L196-M245 HydrophobicContact CG-SD 4.12Å; Y241-M245 HydrophobicContact CD1-SD 4.2Å; Y241-M245 HydrophobicContact CE1-CE 4Å; Y241-M245 HydrophobicContact CE1-SD 3.53Å; Y241-M245 VanDerWaalsContact CE1-SD 3.53Å; Y241-M245 HydrophobicContact CE2-CE 4.34Å; Y241-M245 WeakPolarHBondContact OH-CE 3.36Å; L242-M245 CarbonylContact O-C 3.55Å; L242-M245 PolarHBondContact O-N 3.08Å; L242-M245 VanDerWaalsContact O-N 3.08Å; K243-M245 VanDerWaalsContact C-N 3.31Å; M245-H247 PolarHBondContact O-N 3.26Å; M245-I248 PolarHBondContact O-N 3.1Å; M245-F249 HydrophobicContact CB-CD2 3.94Å; M245-F249 HydrophobicContact CB-CE2 4.38Å; M245-F249 PolarHBondContact O-N 3.31Å; M245-F249 HydrophobicContact SD-CE2 4.47Å
246R84.5Confident86Confident161 Ų16176.5 Ų76.561%0.60836%0.358SS*.THydrogen-bonded Turntrans-60.9-17.8-178-69.6-172.7-174.1-177.3-0.7115K243 T244 I248 F249 N259K243-R246 VanDerWaalsContact O-CG 3.29Å; K243-R246 WeakPolarHBondContact O-CG 3.31Å; K243-R246 PolarHBondContact O-NE 3.3Å; T244-R246 PolarHBondContact O-N 3.1Å; R246-I248 VanDerWaalsContact C-N 3.26Å; R246-F249 CarbonylContact C-O 3.58Å; R246-F249 WeakPolarHBondContact CA-O 3.42Å; R246-N259 PolarHBondContact O-ND2 3.26Å
247H84.7Confident86.4Confident126 Ų12669.3 Ų69.358%0.58333%0.33SS*.THydrogen-bonded Turntrans-72.8-22.1175.366-80000112M245M245-H247 PolarHBondContact O-N 3.26Å
248I89Confident86.6Confident28 Ų2867.3 Ų67.314%0.14432%0.322CS..THydrogen-bonded Turntrans-103.2-46.1176-62.7164.1000110.7L196 R200 M245 R246 L258 N259L196-I248 HydrophobicContact CD1-CD1 3.95Å; L196-I248 HydrophobicContact CD2-CD1 3.89Å; L196-I248 HydrophobicContact CG-CD1 4.29Å; R200-I248 HydrophobicContact CG-CG2 4.39Å; M245-I248 PolarHBondContact O-N 3.1Å; R246-I248 VanDerWaalsContact C-N 3.26Å; I248-L258 HydrophobicContact CG2-CD2 4.08Å; I248-L258 CarbonylContact O-C 3.07Å; I248-L258 WeakPolarHBondContact O-CA 3.37Å; I248-N259 PolarHBondContact O-N 3.15Å
249F91.1Very high86.3Confident1 Ų169.5 Ų69.50%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-107.3135.4-174-58.6-73.5000112.3L196 L199 R200 V203 L242 M245 R246 V256 S257 L258L196-F249 HydrophobicContact CD1-CE2 3.54Å; L196-F249 HydrophobicContact CD1-CZ 4.04Å; L199-F249 HydrophobicContact CB-CZ 3.87Å; R200-F249 HydrophobicContact CB-CZ 4.41Å; V203-F249 HydrophobicContact CB-CE1 4.41Å; V203-F249 HydrophobicContact CG2-CE1 4.19Å; L242-F249 HydrophobicContact CD2-CD1 4.34Å; L242-F249 HydrophobicContact CD2-CD2 3.5Å; L242-F249 HydrophobicContact CD2-CE1 4.38Å; L242-F249 HydrophobicContact CD2-CE2 3.53Å; L242-F249 HydrophobicContact CD2-CG 3.92Å; L242-F249 HydrophobicContact CD2-CZ 4Å; M245-F249 HydrophobicContact CB-CD2 3.94Å; M245-F249 HydrophobicContact CB-CE2 4.38Å; M245-F249 PolarHBondContact O-N 3.31Å; M245-F249 HydrophobicContact SD-CE2 4.47Å; R246-F249 CarbonylContact C-O 3.58Å; R246-F249 WeakPolarHBondContact CA-O 3.42Å; F249-V256 HydrophobicContact CB-CG1 4.25Å; F249-V256 HydrophobicContact CD1-CG1 3.94Å; F249-V256 HydrophobicContact CG-CG1 4.37Å; F249-S257 CarbonylContact C-O 3.27Å; F249-S257 WeakPolarHBondContact CA-O 3.48Å; F249-L258 HydrophobicContact CD1-CD2 4.18Å; F249-L258 HydrophobicContact CE1-CD2 4.12Å
250F86Confident85.6Confident103 Ų10378.3 Ų78.345%0.45237%0.366SS..EExtended strand (participates in β ladder)trans-102126.5166.2-180-101.8000109.7R252 S257 N259F250-R252 HydrophobicContact CE1-CB 4.09Å; F250-S257 PolarHBondContact N-O 3.34Å; F250-S257 PolarHBondContact O-N 2.96Å; F250-S257 PolarHBondContact O-OG 3.38Å; F250-N259 HydrophobicContact CB-CB 4.35Å
251I85Confident84Confident36 Ų3681.2 Ų81.219%0.18537%0.371CS..EExtended strand (participates in β ladder)trans-122.7125.9-173.3-57.4170.7000109M239 L242 K243 K255M239-I251 HydrophobicContact CE-CG2 3.83Å; M239-I251 HydrophobicContact SD-CD1 4.08Å; M239-I251 HydrophobicContact SD-CG2 3.3Å; M239-I251 WeakPolarHBondContact SD-CG2 3.35Å; L242-I251 HydrophobicContact CB-CD1 3.58Å; K243-I251 HydrophobicContact CB-CD1 4.41Å; K243-I251 HydrophobicContact CG-CD1 3.72Å; I251-K255 WeakPolarHBondContact CA-O 3.35Å
252R79.1Confident81.3Confident184 Ų18490.7 Ų90.769%0.69441%0.406SS*.EExtended strand (participates in β ladder)trans-132.7120.2173.7-172174.2-178.4146.10.1109.8F250 N254 K255F250-R252 HydrophobicContact CE1-CB 4.09Å; R252-N254 PolarHBondContact O-N 2.81Å; R252-K255 PolarHBondContact N-O 3.12Å; R252-K255 PolarHBondContact O-N 3.49Å
253S79.2Confident78.7Confident111 Ų11196 Ų9678%0.77644%0.441SS*.THydrogen-bonded Turntrans53.7-105.3-173.8-53.30000111.8M239M239-S253 WeakPolarHBondContact CE-O 3.34Å
254N83.7Confident76.5Confident85 Ų8597.7 Ų97.746%0.45546%0.462SS..THydrogen-bonded Turntrans-114.617.2177.770.3-18.2000113.1S211 L212 R252S211-N254 WeakPolarHBondContact CA-O 3.35Å; L212-N254 PolarHBondContact N-O 2.79Å; R252-N254 PolarHBondContact O-N 2.81Å
255K86.8Confident73.9Confident88 Ų8895.7 Ų95.738%0.38346%0.462SS..EExtended strand (participates in β ladder)trans-112.5140.5-178.5-62.1-62.1-165.3158.50111.8P209 I210 I251 R252P209-K255 HydrophobicContact CB-CB 3.79Å; P209-K255 HydrophobicContact CB-CG 4.43Å; I210-K255 CarbonylContact O-C 3.58Å; I210-K255 VanDerWaalsContact O-CA 3.22Å; I210-K255 WeakPolarHBondContact O-CA 3.31Å; I251-K255 WeakPolarHBondContact CA-O 3.35Å; R252-K255 PolarHBondContact N-O 3.12Å; R252-K255 PolarHBondContact O-N 3.49Å
256V89.6Confident71.3Confident0 Ų0102.4 Ų102.40%050%0.499CS..EExtended strand (participates in β ladder)trans-122.9136.7-178-173.30000109.6P209 I210 L212 L215 L242 F249P209-V256 CarbonylContact C-O 3.59Å; P209-V256 WeakPolarHBondContact CA-O 3.42Å; I210-V256 PolarHBondContact N-O 3.43Å; I210-V256 PolarHBondContact O-N 3.15Å; L212-V256 HydrophobicContact CD1-CG2 4.37Å; L215-V256 HydrophobicContact CD2-CB 4.26Å; L215-V256 HydrophobicContact CD2-CG1 4.18Å; L215-V256 HydrophobicContact CD2-CG2 4.21Å; L242-V256 HydrophobicContact CD1-CG1 4.25Å; L242-V256 HydrophobicContact CD1-CG2 3.96Å; F249-V256 HydrophobicContact CB-CG1 4.25Å; F249-V256 HydrophobicContact CD1-CG1 3.94Å; F249-V256 HydrophobicContact CG-CG1 4.37Å
257S89.4Confident68.7Low28 Ų2898.3 Ų98.320%0.19651%0.507CS..EExtended strand (participates in β ladder)trans-145.6169.7176.354.70000109.7F249 F250F249-S257 CarbonylContact C-O 3.27Å; F249-S257 WeakPolarHBondContact CA-O 3.48Å; F250-S257 PolarHBondContact N-O 3.34Å; F250-S257 PolarHBondContact O-N 2.96Å; F250-S257 PolarHBondContact O-OG 3.38Å
258L89.2Confident66.1Low35 Ų35100.3 Ų100.318%0.18352%0.516CS..EExtended strand (participates in β ladder)trans-76.3141.3171.9-68.2-176.3000111.6R200 V203 E204 I248 F249 R260R200-L258 HydrophobicContact CG-CD2 4.29Å; V203-L258 HydrophobicContact CB-CD2 4.45Å; V203-L258 HydrophobicContact CG1-CD2 4.26Å; V203-L258 HydrophobicContact CG1-CG 4.1Å; E204-L258 HydrophobicContact CB-CD1 3.7Å; E204-L258 HydrophobicContact CG-CD1 3.76Å; I248-L258 HydrophobicContact CG2-CD2 4.08Å; I248-L258 CarbonylContact O-C 3.07Å; I248-L258 WeakPolarHBondContact O-CA 3.37Å; F249-L258 HydrophobicContact CD1-CD2 4.18Å; F249-L258 HydrophobicContact CE1-CD2 4.12Å; L258-R260 PolarHBondContact O-N 3.05Å
259N82.7Confident63.3Low47 Ų47107.2 Ų107.225%0.25155%0.553SS.*  trans-77.289.9176.3-167.5-14.5000110.3R246 I248 F250 R261R246-N259 PolarHBondContact O-ND2 3.26Å; I248-N259 PolarHBondContact O-N 3.15Å; F250-N259 HydrophobicContact CB-CB 4.35Å; N259-R261 PolarHBondContact O-N 3.47Å; N259-R261 VanDerWaalsContact O-N 3.17Å; N259-R261 WeakPolarHBondContact OD1-CG 3.38Å
260R72.3Confident60.5Low205 Ų205114.7 Ų114.777%0.77459%0.588SS**  trans-83.679.4171.6-61.4-175.1-176.9175.22.7109.2L258 R262L258-R260 PolarHBondContact O-N 3.05Å; R260-R262 PolarHBondContact O-N 3.46Å
261R53.1Low57.7Low199 Ų199117 Ų11775%0.75161%0.605SS**  trans-61.4108.3169.6-69-172179.9-172.7-1.1108.8N259N259-R261 PolarHBondContact O-N 3.47Å; N259-R261 VanDerWaalsContact O-N 3.17Å; N259-R261 WeakPolarHBondContact OD1-CG 3.38Å
262R32.9Very low55.1Low235 Ų235122.2 Ų122.289%0.88764%0.638SS**  trans-73.5132170.5-150.7179.4-116.9164.9-2.8107.8R260R260-R262 PolarHBondContact O-N 3.46Å
263P36.6Very low52.5Low111 Ų111117.9 Ų117.972%0.72164%0.636SS**  trans-62.2147.3177-12.625.9000110.1G265P263-G265 PolarHBondContact O-N 3.4Å
264P38.5Very low50Low139 Ų139121 Ų12190%0.90364%0.639SS**  trans-74110.6179.529.7-28.8000108.9
265G32.3Very low47.2Very low61 Ų61126.4 Ų126.463%0.62966%0.658SS**  trans-156.5105.5178.200000110.4P263P263-G265 PolarHBondContact O-N 3.4Å
266D31Very low44.6Very low168 Ų168127.6 Ų127.690%0.89868%0.675SS**  trans55.9102149.2-52.4-25.8000119.9
267G31.3Very low41.6Very low75 Ų75132.1 Ų132.177%0.77371%0.706SS**  trans17.1127.4142.700000120
268E29.3Very low38.4Very low168 Ų168136.6 Ų136.679%0.78573%0.733SS**  -152.4118.2126.8-109.2168.2-162.100108.1H270E268-H270 VanDerWaalsContact C-N 3.33Å; E268-H270 PolarHBondContact O-N 2.95Å
269N31Very low35.3Very low172 Ų172143.4 Ų143.492%0.9276%0.761SS**  trans-62.594.7170.2-88-25.4000107.9D271N269-D271 PolarHBondContact O-N 3.47Å
270H32.2Very low32.4Very low158 Ų158147 Ų14773%0.73179%0.785SS**  trans-82.8106.7163.7-87.3-67.8000108.9E268 V272E268-H270 VanDerWaalsContact C-N 3.33Å; E268-H270 PolarHBondContact O-N 2.95Å; H270-V272 PolarHBondContact O-N 3.34Å
271D27.2Very low30.1Very low152 Ų152140.5 Ų140.581%0.81378%0.782SS**  trans-37.5120.4163.7-94.7-39.9000110.7N269 S273N269-D271 PolarHBondContact O-N 3.47Å; D271-S273 PolarHBondContact O-N 3.05Å
272V28.9Very low28.8Very low145 Ų145138 Ų13888%0.87978%0.779SS**  trans-7277.6173.3-175.80000107.4H270 Q274H270-V272 PolarHBondContact O-N 3.34Å; V272-Q274 PolarHBondContact O-N 2.87Å
273S26.2Very low28.5Very low93 Ų93132 Ų13265%0.6577%0.77SS**  trans-81.6112.6168.347.70000108.8D271D271-S273 PolarHBondContact O-N 3.05Å
274Q26.1Very low28Very low178 Ų178133.5 Ų133.583%0.83277%0.768SS**  trans38.297.9148.4-73.8170.3-33.200117V272 P276V272-Q274 PolarHBondContact O-N 2.87Å; Q274-P276 VanDerWaalsContact O-CD 3.29Å; Q274-P276 WeakPolarHBondContact O-CD 3.46Å
275F25Very low27.4Very low198 Ų198132 Ų13287%0.86875%0.751SS**  trans-88109.7147.3-83.2-84.3000109
276P32.3Very low27Very low113 Ų113133.3 Ų133.373%0.73474%0.739SS**  trans-94.6105.5164.134.2-23.4000108.2Q274Q274-P276 VanDerWaalsContact O-CD 3.29Å; Q274-P276 WeakPolarHBondContact O-CD 3.46Å
277S25.7Very low26.8Very low94 Ų94134.6 Ų134.666%0.65773%0.733SS**  trans-162.274.3157.341.80000108.3F279S277-F279 VanDerWaalsContact C-N 3.32Å; S277-F279 PolarHBondContact O-N 3.38Å
278T23.3Very low26.6Very low123 Ų123132.7 Ų132.776%0.75571%0.705SS**  18.270.6125.9-26.30000114.7T280T278-T280 VanDerWaalsContact C-N 3.32Å; T278-T280 HydrophobicContact CG2-CG2 3.55Å; T278-T280 PolarHBondContact O-N 3.33Å
279F22.4Very low26.6Very low177 Ų177131.3 Ų131.378%0.77670%0.699SS**  trans-91.979.8157.3-150.7-95.2000106.5S277 G281 H282S277-F279 VanDerWaalsContact C-N 3.32Å; S277-F279 PolarHBondContact O-N 3.38Å; F279-G281 PolarHBondContact O-N 3.44Å; F279-H282 AromaticContact CE1-NE2 3.73Å
280T23.8Very low26.6Very low123 Ų123130.6 Ų130.676%0.75569%0.69SS**  trans-75.4120177.3420000109.6T278T278-T280 VanDerWaalsContact C-N 3.32Å; T278-T280 HydrophobicContact CG2-CG2 3.55Å; T278-T280 PolarHBondContact O-N 3.33Å
281G23.9Very low26.7Very low69 Ų69128.9 Ų128.971%0.71169%0.686SS**  trans117.451.2156.200000115.9F279F279-G281 PolarHBondContact O-N 3.44Å
282H24.2Very low26.8Very low146 Ų146123.8 Ų123.868%0.67666%0.658SS**  trans-95.1119.2155.1-88.2-69.9000108.7F279 E284F279-H282 AromaticContact CE1-NE2 3.73Å; H282-E284 PolarHBondContact O-N 3Å
283P27.4Very low27.1Very low109 Ų109122.4 Ų122.471%0.70864%0.644SS**  trans-68.4130166.929.5-28.5000107.5I285P283-I285 PolarHBondContact O-N 2.98Å
284E25.3Very low27.5Very low143 Ų143121 Ų12167%0.66864%0.644SS**  trans-50.5111.1-171.5-64.3157.3163.600111.8H282 F286H282-E284 PolarHBondContact O-N 3Å; E284-F286 HydrophobicContact CB-CD2 4.11Å; E284-F286 HydrophobicContact CB-CE2 3.43Å; E284-F286 VanDerWaalsContact CB-CE2 3.43Å; E284-F286 HydrophobicContact CB-CZ 3.67Å; E284-F286 HydrophobicContact CG-CZ 4.43Å; E284-F286 WeakPolarHBondContact O-CD2 3.42Å; E284-F286 WeakPolarHBondContact O-CE2 3.37Å; E284-F286 PolarHBondContact O-N 3.11Å; E284-F286 WeakPolarHBondContact OE2-CZ 3.27Å
285I26.3Very low28.1Very low107 Ų107117.2 Ų117.255%0.54963%0.625SS.*  trans-82.1108.3171.9-61.8176.4000107.2P283 V329P283-I285 PolarHBondContact O-N 2.98Å; I285-V329 HydrophobicContact CG2-CG2 3.96Å
286F25Very low29Very low88 Ų88112.4 Ų112.439%0.38661%0.614SS.*PPolyproline II helixtrans-89.4139.5-178-69.4-85.7000112.3E284 I431E284-F286 HydrophobicContact CB-CD2 4.11Å; E284-F286 HydrophobicContact CB-CE2 3.43Å; E284-F286 VanDerWaalsContact CB-CE2 3.43Å; E284-F286 HydrophobicContact CB-CZ 3.67Å; E284-F286 HydrophobicContact CG-CZ 4.43Å; E284-F286 WeakPolarHBondContact O-CD2 3.42Å; E284-F286 WeakPolarHBondContact O-CE2 3.37Å; E284-F286 PolarHBondContact O-N 3.11Å; E284-F286 WeakPolarHBondContact OE2-CZ 3.27Å; F286-I431 HydrophobicContact CB-CB 3.87Å; F286-I431 HydrophobicContact CB-CD1 3.63Å; F286-I431 HydrophobicContact CB-CG1 3.94Å; F286-I431 HydrophobicContact CD1-CB 4.27Å; F286-I431 HydrophobicContact CD1-CG2 4.09Å; F286-I431 HydrophobicContact CD2-CB 3.76Å; F286-I431 HydrophobicContact CD2-CG2 4.2Å; F286-I431 HydrophobicContact CE1-CG2 4.32Å; F286-I431 HydrophobicContact CE2-CB 4.36Å; F286-I431 HydrophobicContact CE2-CG2 4.41Å; F286-I431 HydrophobicContact CG-CB 3.71Å; F286-I431 HydrophobicContact CG-CD1 4.46Å; F286-I431 HydrophobicContact CG-CG1 4.3Å; F286-I431 HydrophobicContact CG-CG2 4.04Å; F286-I431 HydrophobicContact CZ-CG2 4.48Å
287Y26.6Very low29.6Very low195 Ų195113.7 Ų113.777%0.76562%0.615SS**PPolyproline II helixtrans-83.3136.6-176.6-63.6-91.6000111.7
288L26Very low30.6Very low35 Ų35111.1 Ų111.118%0.18359%0.593CS.*PPolyproline II helixtrans-71.7129.4164.1-70.5173.7000108.6L427L288-L427 HydrophobicContact CD2-CD2 4.08Å
289Q29.9Very low32Very low140 Ų140112.1 Ų112.165%0.65459%0.587SS**PPolyproline II helixtrans-65.1133.3-171.1-158.5171.3-25.500111.1D291 M292Q289-D291 PolarHBondContact NE2-OD2 3.11Å; Q289-D291 VanDerWaalsContact NE2-OD2 3.12Å; Q289-D291 PolarHBondContact O-N 3.09Å; Q289-M292 PolarHBondContact O-N 3.47Å
290E31.8Very low34.4Very low157 Ų157110.2 Ų110.273%0.73458%0.575SS**G310 helixtrans-55.6-18.2-174-69.4-179.8154.500114.4M292 I293E290-M292 PolarHBondContact O-N 3.15Å; E290-I293 HydrophobicContact CB-CD1 4.48Å; E290-I293 VanDerWaalsContact O-CD1 3.29Å; E290-I293 WeakPolarHBondContact O-CD1 3.4Å; E290-I293 VanDerWaalsContact O-CG1 3.24Å; E290-I293 WeakPolarHBondContact O-CG1 3.42Å; E290-I293 PolarHBondContact O-N 2.96Å
291D33.1Very low36.6Very low122 Ų122106.2 Ų106.265%0.65255%0.55SS**G310 helixtrans-70.1-4.2-175.7-56.4-37.3000114.1Q289Q289-D291 PolarHBondContact NE2-OD2 3.11Å; Q289-D291 VanDerWaalsContact NE2-OD2 3.12Å; Q289-D291 PolarHBondContact O-N 3.09Å
292M30.3Very low39.1Very low45 Ų45103.3 Ų103.322%0.22252%0.518CS..G310 helixtrans-82.3-9.3177.4-62.4-124.379.100114.3Q289 E290 G294 L298 A426Q289-M292 PolarHBondContact O-N 3.47Å; E290-M292 PolarHBondContact O-N 3.15Å; M292-G294 PolarHBondContact O-N 2.71Å; M292-G294 VanDerWaalsContact O-N 3.07Å; M292-L298 HydrophobicContact CE-CD1 3.4Å; M292-L298 VanDerWaalsContact CE-CD1 3.4Å; M292-L298 HydrophobicContact CE-CD2 3.82Å; M292-L298 HydrophobicContact CE-CG 4.28Å; M292-L298 HydrophobicContact SD-CD1 4.42Å; M292-L298 HydrophobicContact SD-CD2 3.87Å; M292-A426 HydrophobicContact SD-CB 4.34Å
293I35.1Very low41.8Very low115 Ų11596.6 Ų96.659%0.5949%0.489SS*.G310 helixtrans-64.7-14.8-175.3-62.5166.5000112.6E290 F295E290-I293 HydrophobicContact CB-CD1 4.48Å; E290-I293 VanDerWaalsContact O-CD1 3.29Å; E290-I293 WeakPolarHBondContact O-CD1 3.4Å; E290-I293 VanDerWaalsContact O-CG1 3.24Å; E290-I293 WeakPolarHBondContact O-CG1 3.42Å; E290-I293 PolarHBondContact O-N 2.96Å; I293-F295 PolarHBondContact O-N 2.96Å
294G34.4Very low44.6Very low63 Ų6391.5 Ų91.565%0.64946%0.456SS*.G310 helixtrans-79.6-1.8-177.600000117.2M292M292-G294 PolarHBondContact O-N 2.71Å; M292-G294 VanDerWaalsContact O-N 3.07Å
295F39.4Very low47.4Very low100 Ų10088.6 Ų88.644%0.43944%0.439SS..  trans-122.2109-172.5-68-83.3000111.8I293 D297 L298I293-F295 PolarHBondContact O-N 2.96Å; F295-D297 PolarHBondContact O-N 2.86Å; F295-D297 VanDerWaalsContact O-N 3.15Å; F295-L298 HydrophobicContact CB-CB 4.25Å; F295-L298 HydrophobicContact CB-CD1 3.43Å; F295-L298 VanDerWaalsContact CB-CD1 3.43Å; F295-L298 HydrophobicContact CB-CG 4.36Å; F295-L298 HydrophobicContact CD2-CD1 4.01Å; F295-L298 HydrophobicContact CG-CD1 3.92Å; F295-L298 WeakPolarHBondContact O-CB 3.2Å; F295-L298 PolarHBondContact O-N 3.18Å
296P43.3Very low50.3Low97 Ų9784.2 Ų84.263%0.6342%0.416SS*.G310 helixtrans-63.5-23.4-17522.6-31.4000114L298 F299P296-L298 VanDerWaalsContact C-N 3.3Å; P296-L298 PolarHBondContact O-N 3.41Å; P296-F299 VanDerWaalsContact O-CD2 3.31Å; P296-F299 WeakPolarHBondContact O-CD2 3.36Å
297D44.2Very low53.1Low140 Ų14082.7 Ų82.775%0.74941%0.41SS*.G310 helixtrans-77.3-16.3177.5-62.6-34.4000113.1F295 F299F295-D297 PolarHBondContact O-N 2.86Å; F295-D297 VanDerWaalsContact O-N 3.15Å; D297-F299 VanDerWaalsContact C-N 3.35Å; D297-F299 PolarHBondContact O-N 2.86Å
298L47.6Very low55.9Low40 Ų4075.4 Ų75.421%0.20938%0.384CS..G310 helixtrans-77.2-17.3-179.1-98140.5000113.7M292 F295 P296 R300 V301 P325M292-L298 HydrophobicContact CE-CD1 3.4Å; M292-L298 VanDerWaalsContact CE-CD1 3.4Å; M292-L298 HydrophobicContact CE-CD2 3.82Å; M292-L298 HydrophobicContact CE-CG 4.28Å; M292-L298 HydrophobicContact SD-CD1 4.42Å; M292-L298 HydrophobicContact SD-CD2 3.87Å; F295-L298 HydrophobicContact CB-CB 4.25Å; F295-L298 HydrophobicContact CB-CD1 3.43Å; F295-L298 VanDerWaalsContact CB-CD1 3.43Å; F295-L298 HydrophobicContact CB-CG 4.36Å; F295-L298 HydrophobicContact CD2-CD1 4.01Å; F295-L298 HydrophobicContact CG-CD1 3.92Å; F295-L298 WeakPolarHBondContact O-CB 3.2Å; F295-L298 PolarHBondContact O-N 3.18Å; P296-L298 VanDerWaalsContact C-N 3.3Å; P296-L298 PolarHBondContact O-N 3.41Å; L298-R300 PolarHBondContact O-N 3.5Å; L298-V301 HydrophobicContact CD2-CB 4.38Å; L298-V301 HydrophobicContact CD2-CG2 4.17Å; L298-V301 PolarHBondContact O-N 3.39Å; L298-P325 VanDerWaalsContact O-CG 3.3Å; L298-P325 WeakPolarHBondContact O-CG 3.22Å
299F52.9Low58.6Low143 Ų14378 Ų7863%0.62740%0.395SS*.G310 helixtrans-59.7-11.7175.8-70.6-70000113.6P296 D297P296-F299 VanDerWaalsContact O-CD2 3.31Å; P296-F299 WeakPolarHBondContact O-CD2 3.36Å; D297-F299 VanDerWaalsContact C-N 3.35Å; D297-F299 PolarHBondContact O-N 2.86Å
300R71.2Confident61Low138 Ų13876.5 Ų76.552%0.52139%0.391SS..G310 helixtrans-100.32.4178.7-67.4176.3-177.6-1361.5113.8L298 E354 Y355 L356L298-R300 PolarHBondContact O-N 3.5Å; R300-E354 WeakPolarHBondContact CB-O 3.33Å; R300-E354 WeakPolarHBondContact CD-O 3.13Å; R300-Y355 CarbonylContact O-C 3.39Å; R300-Y355 WeakPolarHBondContact O-CA 3.39Å; R300-L356 PolarHBondContact O-N 2.85Å
301V69.9Low62.9Low38 Ų3873.6 Ų73.623%0.2338%0.384CS..EExtended strand (participates in β ladder)trans-98.9133.7177.9-174.70000109.6L298 P325 L356 V358L298-V301 HydrophobicContact CD2-CB 4.38Å; L298-V301 HydrophobicContact CD2-CG2 4.17Å; L298-V301 PolarHBondContact O-N 3.39Å; V301-P325 WeakPolarHBondContact O-CD 3.46Å; V301-P325 WeakPolarHBondContact O-CG 3.12Å; V301-L356 HydrophobicContact CG2-CB 4.36Å; V301-L356 HydrophobicContact CG2-CD2 4.33Å; V301-V358 HydrophobicContact CG1-CG2 3.92Å
302M77.8Confident65.2Low8 Ų870.6 Ų70.64%0.03938%0.381CS..EExtended strand (participates in β ladder)trans-137140.8171.959.2177137.300111.4I304 I322 C323 L324 I349 Y355 L356 K357 V358M302-I304 HydrophobicContact CG-CD1 4.19Å; M302-I304 HydrophobicContact CG-CG1 4.07Å; M302-I304 HydrophobicContact SD-CD1 3.77Å; M302-I304 HydrophobicContact SD-CG1 4.14Å; M302-I322 HydrophobicContact CB-CG2 4.12Å; M302-I322 HydrophobicContact SD-CD1 4.46Å; M302-I322 HydrophobicContact SD-CG2 3.87Å; M302-C323 WeakPolarHBondContact CA-O 3.18Å; M302-L324 HydrophobicContact CB-CD2 4.14Å; M302-I349 HydrophobicContact CE-CG2 3.4Å; M302-I349 HydrophobicContact SD-CG2 3.87Å; M302-Y355 HydrophobicContact CE-CD1 4.19Å; M302-Y355 HydrophobicContact CE-CD2 4.24Å; M302-Y355 HydrophobicContact CE-CG 3.65Å; M302-L356 PolarHBondContact N-O 3.44Å; M302-K357 HydrophobicContact CE-CD 4.17Å; M302-K357 VanDerWaalsContact CE-CE 3.41Å; M302-K357 HydrophobicContact CE-CG 3.89Å; M302-K357 HydrophobicContact CG-CG 4.26Å; M302-K357 HydrophobicContact SD-CG 4.41Å; M302-V358 PolarHBondContact O-N 3.04Å
303G80.3Confident67.4Low6 Ų676.4 Ų76.46%0.06241%0.413CS..EExtended strand (participates in β ladder)trans-84130.716900000109.6I322 C323G303-I322 CarbonylContact O-C 3.57Å; G303-I322 WeakPolarHBondContact O-CA 3.44Å; G303-C323 PolarHBondContact N-O 2.84Å; G303-C323 PolarHBondContact O-N 3.43Å
304I86.8Confident69.1Low2 Ų273.8 Ų73.81%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-125.8124.4176-46.7-171.7000110.2M302 F306 I320 S321 I322 L350 K357 V358 V359M302-I304 HydrophobicContact CG-CD1 4.19Å; M302-I304 HydrophobicContact CG-CG1 4.07Å; M302-I304 HydrophobicContact SD-CD1 3.77Å; M302-I304 HydrophobicContact SD-CG1 4.14Å; I304-F306 HydrophobicContact CB-CE2 3.92Å; I304-F306 HydrophobicContact CB-CZ 4.37Å; I304-F306 HydrophobicContact CG2-CD2 3.98Å; I304-F306 HydrophobicContact CG2-CE1 4.26Å; I304-F306 HydrophobicContact CG2-CE2 3.35Å; I304-F306 HydrophobicContact CG2-CZ 3.51Å; I304-I320 HydrophobicContact CG2-CG2 3.76Å; I304-S321 WeakPolarHBondContact CA-O 3.29Å; I304-I322 HydrophobicContact CD1-CD1 4.26Å; I304-I322 HydrophobicContact CD1-CG1 4.28Å; I304-I322 HydrophobicContact CG1-CG1 4.14Å; I304-I322 HydrophobicContact CG2-CG1 4.12Å; I304-L350 HydrophobicContact CD1-CD2 3.69Å; I304-K357 HydrophobicContact CD1-CB 3.97Å; I304-K357 HydrophobicContact CD1-CG 3.41Å; I304-K357 VanDerWaalsContact CD1-CG 3.41Å; I304-K357 HydrophobicContact CG1-CB 4.33Å; I304-K357 HydrophobicContact CG1-CG 4.23Å; I304-V358 PolarHBondContact N-O 3.28Å; I304-V359 HydrophobicContact CB-CG2 4.24Å
305Y84Confident71.3Confident81 Ų8174 Ų7432%0.31839%0.387SS..EExtended strand (participates in β ladder)trans-108.1138.5171.7-178.6-97.1000110.1H307 I320 S321 C434Y305-H307 HydrophobicContact CE1-CB 4.08Å; Y305-I320 WeakPolarHBondContact O-CA 3.24Å; Y305-S321 PolarHBondContact N-O 2.97Å; Y305-S321 PolarHBondContact O-N 3.42Å; Y305-C434 HydrophobicContact CD2-CB 3.94Å; Y305-C434 HydrophobicContact CE2-CB 3.94Å; Y305-C434 PolarHBondContact OH-O 3.33Å
306F87.6Confident73.2Confident16 Ų1673.4 Ų73.47%0.0738%0.384CS..EExtended strand (participates in β ladder)trans-120.6117.3-179.9-65-96.5000108.2I304 L317 I320 L350 V359 I365 L369 I377I304-F306 HydrophobicContact CB-CE2 3.92Å; I304-F306 HydrophobicContact CB-CZ 4.37Å; I304-F306 HydrophobicContact CG2-CD2 3.98Å; I304-F306 HydrophobicContact CG2-CE1 4.26Å; I304-F306 HydrophobicContact CG2-CE2 3.35Å; I304-F306 HydrophobicContact CG2-CZ 3.51Å; F306-L317 HydrophobicContact CB-CD1 3.83Å; F306-L317 HydrophobicContact CD1-CD1 3.83Å; F306-L317 HydrophobicContact CD1-CD2 4.24Å; F306-L317 HydrophobicContact CG-CD1 4.34Å; F306-I320 HydrophobicContact CD1-CD1 3.86Å; F306-I320 HydrophobicContact CD1-CG1 3.59Å; F306-I320 HydrophobicContact CE1-CD1 3.6Å; F306-I320 HydrophobicContact CE1-CG1 3.81Å; F306-I320 HydrophobicContact CG-CG1 4.49Å; F306-L350 HydrophobicContact CZ-CD2 4.01Å; F306-V359 HydrophobicContact CD2-CG1 3.97Å; F306-V359 HydrophobicContact CE2-CG1 3.88Å; F306-V359 HydrophobicContact CE2-CG2 4.04Å; F306-I365 HydrophobicContact CB-CD1 3.42Å; F306-I365 VanDerWaalsContact CB-CD1 3.42Å; F306-I365 HydrophobicContact CB-CG1 3.9Å; F306-I365 HydrophobicContact CB-CG2 4.36Å; F306-I365 HydrophobicContact CD1-CG2 3.52Å; F306-I365 HydrophobicContact CD2-CB 4.39Å; F306-I365 HydrophobicContact CD2-CD1 4.38Å; F306-I365 HydrophobicContact CD2-CG1 3.9Å; F306-I365 HydrophobicContact CD2-CG2 3.7Å; F306-I365 HydrophobicContact CE1-CG2 3.59Å; F306-I365 HydrophobicContact CE2-CG2 3.74Å; F306-I365 HydrophobicContact CG-CB 4.41Å; F306-I365 HydrophobicContact CG-CD1 3.91Å; F306-I365 HydrophobicContact CG-CG1 3.91Å; F306-I365 HydrophobicContact CG-CG2 3.6Å; F306-I365 HydrophobicContact CZ-CG2 3.69Å; F306-L369 HydrophobicContact CE1-CD1 4.09Å; F306-L369 HydrophobicContact CZ-CD1 4.38Å; F306-I377 HydrophobicContact CZ-CD1 4.12Å
307H83.8Confident75.3Confident56 Ų5669 Ų6926%0.25936%0.356SS..EExtended strand (participates in β ladder)trans-90.5124.5174.7-165.755.4000109.5Y305 E309 L317 T318 M319Y305-H307 HydrophobicContact CE1-CB 4.08Å; H307-E309 IonicContact CD2-OE1 2.72Å; H307-E309 IonicContact CE1-OE1 3.75Å; H307-E309 IonicContact NE2-OE1 3.62Å; H307-E309 PolarHBondContact NE2-OE1 3.26Å; H307-L317 WeakPolarHBondContact O-CD1 3.03Å; H307-T318 PolarHBondContact CD2-OG1 3.25Å; H307-T318 PolarHBondContact O-N 2.89Å; H307-T318 PolarHBondContact O-OG1 3.45Å; H307-M319 HydrophobicContact CB-CB 3.72Å; H307-M319 HydrophobicContact CB-CE 3.9Å; H307-M319 PolarHBondContact N-O 2.96Å; H307-M319 PolarHBondContact O-N 3.3Å
308I85.6Confident77.2Confident42 Ų4263.5 Ų63.522%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-117.8129.7178.3-62.1161.3000108.2E315 F316 L317 K364 I365 I368I308-E315 HydrophobicContact CG2-CB 3.83Å; I308-E315 HydrophobicContact CG2-CG 4.31Å; I308-F316 CarbonylContact C-O 2.88Å; I308-F316 VanDerWaalsContact CA-O 3.26Å; I308-F316 WeakPolarHBondContact CA-O 3.35Å; I308-L317 HydrophobicContact CG1-CD1 4.27Å; I308-K364 HydrophobicContact CD1-CD 3.88Å; I308-K364 HydrophobicContact CD1-CG 4.23Å; I308-I365 HydrophobicContact CD1-CD1 3.35Å; I308-I365 HydrophobicContact CG1-CD1 4.16Å; I308-I368 HydrophobicContact CD1-CD1 3.41Å; I308-I368 VanDerWaalsContact CD1-CD1 3.41Å; I308-I368 HydrophobicContact CG1-CD1 3.99Å; I308-I368 HydrophobicContact CG2-CD1 4.32Å
309E81.5Confident79Confident90 Ų9064.3 Ų64.342%0.42133%0.33SS..EExtended strand (participates in β ladder)trans-103.8138.9169.8-72.3-68.4165.700109.9H307 F316 T318H307-E309 IonicContact CD2-OE1 2.72Å; H307-E309 IonicContact CE1-OE1 3.75Å; H307-E309 IonicContact NE2-OE1 3.62Å; H307-E309 PolarHBondContact NE2-OE1 3.26Å; E309-F316 PolarHBondContact N-O 2.78Å; E309-F316 PolarHBondContact O-N 3.44Å; E309-T318 HydrophobicContact CB-CG2 3.77Å; E309-T318 HydrophobicContact CG-CG2 3.75Å
310L80.3Confident80.6Confident108 Ų10857.5 Ų57.557%0.56530%0.3SS*.EExtended strand (participates in β ladder)trans-96.9117.1173.3-174.576.4000108.5G312 E315L310-G312 VanDerWaalsContact CG-O 3.29Å; L310-G312 WeakPolarHBondContact CG-O 3.28Å; L310-E315 HydrophobicContact CD1-CG 3.69Å
311V72.5Confident81.1Confident95 Ų9552 Ų5258%0.57628%0.283SS*.EExtended strand (participates in β ladder)trans-116.1100.5175.2-176.40000108.1D313 V314 F316V311-D313 PolarHBondContact O-N 3.18Å; V311-V314 PolarHBondContact N-O 2.83Å; V311-V314 PolarHBondContact O-N 3.14Å; V311-F316 HydrophobicContact CB-CD2 3.98Å; V311-F316 HydrophobicContact CB-CE2 3.86Å; V311-F316 HydrophobicContact CG2-CD2 4Å; V311-F316 HydrophobicContact CG2-CE2 4.33Å
312G79.9Confident81.7Confident59 Ų5950.6 Ų50.661%0.60827%0.274SS*.THydrogen-bonded Turntrans68.6-124.7-168.500000110.7L310L310-G312 VanDerWaalsContact CG-O 3.29Å; L310-G312 WeakPolarHBondContact CG-O 3.28Å
313D77.6Confident81.5Confident167 Ų16750.7 Ų50.789%0.89328%0.276SS*.THydrogen-bonded Turntrans-98.410.1176.7-60.4-39000112.8V311V311-D313 PolarHBondContact O-N 3.18Å
314V71.4Confident81Confident61 Ų6153.1 Ų53.137%0.3729%0.287SS..EExtended strand (participates in β ladder)trans-113.2124.1-175-173.30000110.1V311 F316V311-V314 PolarHBondContact N-O 2.83Å; V311-V314 PolarHBondContact O-N 3.14Å; V314-F316 HydrophobicContact CB-CD2 4.43Å; V314-F316 HydrophobicContact CB-CE2 3.64Å; V314-F316 HydrophobicContact CB-CZ 4.04Å; V314-F316 HydrophobicContact CG1-CD2 4.17Å; V314-F316 HydrophobicContact CG1-CE1 4.19Å; V314-F316 HydrophobicContact CG1-CE2 3.47Å; V314-F316 VanDerWaalsContact CG1-CE2 3.47Å; V314-F316 HydrophobicContact CG1-CZ 3.49Å; V314-F316 VanDerWaalsContact CG1-CZ 3.49Å; V314-F316 WeakPolarHBondContact O-CD2 3.31Å
315E79.7Confident79.6Confident66 Ų6654.2 Ų54.231%0.30829%0.294SS..EExtended strand (participates in β ladder)trans-85131.1175.1-67.3-175.3150.200110.3I308 L310 K364 I368I308-E315 HydrophobicContact CG2-CB 3.83Å; I308-E315 HydrophobicContact CG2-CG 4.31Å; L310-E315 HydrophobicContact CD1-CG 3.69Å; E315-K364 WeakPolarHBondContact OE1-CE 3.44Å; E315-K364 IonicContact OE1-NZ 2.78Å; E315-K364 PolarHBondContact OE1-NZ 3.33Å; E315-I368 HydrophobicContact CB-CD1 4.3Å
316F79.8Confident78.5Confident89 Ų8952.6 Ų52.639%0.3930%0.302SS..EExtended strand (participates in β ladder)trans-121.6126.7179-68.9-85.9000110.6I308 E309 V311 V314 T318I308-F316 CarbonylContact C-O 2.88Å; I308-F316 VanDerWaalsContact CA-O 3.26Å; I308-F316 WeakPolarHBondContact CA-O 3.35Å; E309-F316 PolarHBondContact N-O 2.78Å; E309-F316 PolarHBondContact O-N 3.44Å; V311-F316 HydrophobicContact CB-CD2 3.98Å; V311-F316 HydrophobicContact CB-CE2 3.86Å; V311-F316 HydrophobicContact CG2-CD2 4Å; V311-F316 HydrophobicContact CG2-CE2 4.33Å; V314-F316 HydrophobicContact CB-CD2 4.43Å; V314-F316 HydrophobicContact CB-CE2 3.64Å; V314-F316 HydrophobicContact CB-CZ 4.04Å; V314-F316 HydrophobicContact CG1-CD2 4.17Å; V314-F316 HydrophobicContact CG1-CE1 4.19Å; V314-F316 HydrophobicContact CG1-CE2 3.47Å; V314-F316 VanDerWaalsContact CG1-CE2 3.47Å; V314-F316 HydrophobicContact CG1-CZ 3.49Å; V314-F316 VanDerWaalsContact CG1-CZ 3.49Å; V314-F316 WeakPolarHBondContact O-CD2 3.31Å; F316-T318 HydrophobicContact CB-CG2 4.26Å; F316-T318 PolarHBondContact O-N 2.93Å
317L86.8Confident77.2Confident5 Ų552.6 Ų52.63%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-75.7108.2169.2-179.266.1000109.1F306 H307 I308 I320 L334 I368 L369 Y373F306-L317 HydrophobicContact CB-CD1 3.83Å; F306-L317 HydrophobicContact CD1-CD1 3.83Å; F306-L317 HydrophobicContact CD1-CD2 4.24Å; F306-L317 HydrophobicContact CG-CD1 4.34Å; H307-L317 WeakPolarHBondContact O-CD1 3.03Å; I308-L317 HydrophobicContact CG1-CD1 4.27Å; L317-I320 HydrophobicContact CD1-CG1 4.38Å; L317-I320 HydrophobicContact CD2-CD1 4.1Å; L317-I320 HydrophobicContact CD2-CG1 4.29Å; L317-L334 HydrophobicContact CD2-CD1 3.72Å; L317-L334 HydrophobicContact CG-CD1 3.68Å; L317-L334 WeakPolarHBondContact O-CB 3.4Å; L317-I368 HydrophobicContact CB-CG2 3.92Å; L317-L369 HydrophobicContact CD2-CD2 3.87Å; L317-Y373 HydrophobicContact CB-CE2 4.25Å; L317-Y373 HydrophobicContact CD2-CE2 4.18Å
318T84.1Confident76.2Confident24 Ų2454.9 Ų54.915%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-104-23.3-172.151.90000113H307 E309 F316 L334 A335H307-T318 PolarHBondContact CD2-OG1 3.25Å; H307-T318 PolarHBondContact O-N 2.89Å; H307-T318 PolarHBondContact O-OG1 3.45Å; E309-T318 HydrophobicContact CB-CG2 3.77Å; E309-T318 HydrophobicContact CG-CG2 3.75Å; F316-T318 HydrophobicContact CB-CG2 4.26Å; F316-T318 PolarHBondContact O-N 2.93Å; T318-L334 WeakPolarHBondContact O-CA 3.38Å; T318-L334 PolarHBondContact O-N 3.06Å; T318-A335 HydrophobicContact CG2-CB 4.15Å; T318-A335 PolarHBondContact O-N 2.94Å; T318-A335 VanDerWaalsContact O-N 3.09Å
319M84.8Confident75.6Confident56 Ų5655.4 Ų55.428%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-151.1146.6178.8-168.9-179.163.200111.9H307 V331 F332H307-M319 HydrophobicContact CB-CB 3.72Å; H307-M319 HydrophobicContact CB-CE 3.9Å; H307-M319 PolarHBondContact N-O 2.96Å; H307-M319 PolarHBondContact O-N 3.3Å; M319-V331 HydrophobicContact CG-CG1 3.67Å; M319-V331 HydrophobicContact SD-CG1 3.4Å; M319-V331 WeakPolarHBondContact SD-CG1 3.24Å; M319-F332 CarbonylContact C-O 3.49Å; M319-F332 VanDerWaalsContact CA-O 3.29Å; M319-F332 WeakPolarHBondContact CA-O 3.14Å; M319-F332 WeakPolarHBondContact CG-O 3.47Å
320I87.5Confident75.2Confident0 Ų056 Ų560%032%0.324CS..EExtended strand (participates in β ladder)trans-122.9131.7165.8-68.7175.4000108.7I304 Y305 F306 L317 I322 F332 L334 L341 L346 L350I304-I320 HydrophobicContact CG2-CG2 3.76Å; Y305-I320 WeakPolarHBondContact O-CA 3.24Å; F306-I320 HydrophobicContact CD1-CD1 3.86Å; F306-I320 HydrophobicContact CD1-CG1 3.59Å; F306-I320 HydrophobicContact CE1-CD1 3.6Å; F306-I320 HydrophobicContact CE1-CG1 3.81Å; F306-I320 HydrophobicContact CG-CG1 4.49Å; L317-I320 HydrophobicContact CD1-CG1 4.38Å; L317-I320 HydrophobicContact CD2-CD1 4.1Å; L317-I320 HydrophobicContact CD2-CG1 4.29Å; I320-I322 HydrophobicContact CG2-CG1 4.02Å; I320-F332 HydrophobicContact CB-CB 4.47Å; I320-F332 HydrophobicContact CG2-CD2 4.46Å; I320-F332 PolarHBondContact N-O 3.4Å; I320-F332 PolarHBondContact O-N 2.89Å; I320-L334 HydrophobicContact CB-CD1 4.39Å; I320-L334 HydrophobicContact CD1-CD1 3.68Å; I320-L334 HydrophobicContact CG1-CD1 3.6Å; I320-L341 HydrophobicContact CD1-CD1 3.26Å; I320-L346 HydrophobicContact CD1-CD2 4.13Å; I320-L350 HydrophobicContact CD1-CD1 4.38Å
321S82.5Confident75.1Confident23 Ų2354.8 Ų54.816%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-116.5127.1171.8-57.60000109.7I304 Y305 F330I304-S321 WeakPolarHBondContact CA-O 3.29Å; Y305-S321 PolarHBondContact N-O 2.97Å; Y305-S321 PolarHBondContact O-N 3.42Å; S321-F330 CarbonylContact C-O 3.35Å; S321-F330 VanDerWaalsContact CA-O 3.31Å; S321-F330 WeakPolarHBondContact CA-O 3.44Å
322I81.3Confident75.4Confident9 Ų952.6 Ų52.65%0.04630%0.304CS..EExtended strand (participates in β ladder)trans-113.7125.7176.8-60.7-175.5000108.8M302 G303 I304 I320 L324 V329 F330 F332 L346M302-I322 HydrophobicContact CB-CG2 4.12Å; M302-I322 HydrophobicContact SD-CD1 4.46Å; M302-I322 HydrophobicContact SD-CG2 3.87Å; G303-I322 CarbonylContact O-C 3.57Å; G303-I322 WeakPolarHBondContact O-CA 3.44Å; I304-I322 HydrophobicContact CD1-CD1 4.26Å; I304-I322 HydrophobicContact CD1-CG1 4.28Å; I304-I322 HydrophobicContact CG1-CG1 4.14Å; I304-I322 HydrophobicContact CG2-CG1 4.12Å; I320-I322 HydrophobicContact CG2-CG1 4.02Å; I322-L324 HydrophobicContact CG2-CD2 4.16Å; I322-V329 CarbonylContact O-C 3.39Å; I322-V329 WeakPolarHBondContact O-CA 3.31Å; I322-F330 PolarHBondContact N-O 3.04Å; I322-F330 PolarHBondContact O-N 3.42Å; I322-F332 HydrophobicContact CD1-CE2 4.12Å; I322-F332 HydrophobicContact CG1-CE2 4.31Å; I322-L346 HydrophobicContact CD1-CD1 3.5Å
323C73.3Confident75.4Confident10 Ų1053.2 Ų53.27%0.06829%0.293CS..EExtended strand (participates in β ladder)trans-109.3131.5173-173.70000110M302 G303 Q328 V329M302-C323 WeakPolarHBondContact CA-O 3.18Å; G303-C323 PolarHBondContact N-O 2.84Å; G303-C323 PolarHBondContact O-N 3.43Å; C323-Q328 WeakPolarHBondContact CA-O 3.15Å; C323-V329 HydrophobicContact CB-CG2 4.26Å
324L70.6Confident75.6Confident57 Ų5745.5 Ų45.530%0.29825%0.251SS..  trans-99.4157.9176.8-59.5-174.3000111.2M302 I322 G326 G327 Q328 F330M302-L324 HydrophobicContact CB-CD2 4.14Å; I322-L324 HydrophobicContact CG2-CD2 4.16Å; L324-G326 PolarHBondContact O-N 2.95Å; L324-G327 PolarHBondContact O-N 2.82Å; L324-Q328 PolarHBondContact N-O 2.85Å; L324-F330 HydrophobicContact CD1-CD2 4.42Å; L324-F330 HydrophobicContact CD1-CE2 3.64Å; L324-F330 HydrophobicContact CG-CD2 4.45Å; L324-F330 HydrophobicContact CG-CE2 4.09Å
325P57.3Low75.8Confident25 Ų2545.7 Ų45.716%0.16226%0.259CS..THydrogen-bonded Turntrans-58-26.1-179.6-23.833.7000114.1L298 V301 G327L298-P325 VanDerWaalsContact O-CG 3.3Å; L298-P325 WeakPolarHBondContact O-CG 3.22Å; V301-P325 WeakPolarHBondContact O-CD 3.46Å; V301-P325 WeakPolarHBondContact O-CG 3.12Å; P325-G327 PolarHBondContact O-N 3.36Å
326G60Low75.4Confident47 Ų4750 Ų5049%0.48528%0.279SS..THydrogen-bonded Turntrans-78.48.2174.900000114.7L324 Q328L324-G326 PolarHBondContact O-N 2.95Å; G326-Q328 VanDerWaalsContact C-N 3.28Å; G326-Q328 PolarHBondContact O-N 3.05Å
327G60.3Low75Confident16 Ų1648.6 Ų48.617%0.16528%0.278CS..SBendtrans80.1-0.4179.200000114.9L324 P325L324-G327 PolarHBondContact O-N 2.82Å; P325-G327 PolarHBondContact O-N 3.36Å
328Q64.4Low74.2Confident103 Ų10350.2 Ų50.248%0.48129%0.293SS..  trans-70.6132.6174.1-59.489.88.600110.7C323 L324 G326 F330C323-Q328 WeakPolarHBondContact CA-O 3.15Å; L324-Q328 PolarHBondContact N-O 2.85Å; G326-Q328 VanDerWaalsContact C-N 3.28Å; G326-Q328 PolarHBondContact O-N 3.05Å; Q328-F330 HydrophobicContact CB-CE2 3.82Å; Q328-F330 HydrophobicContact CB-CZ 4.28Å
329V71.2Confident73.5Confident54 Ų5450.7 Ų50.733%0.32730%0.296SS..EExtended strand (participates in β ladder)trans-116.4130.4176.1-176.20000109.8I285 I322 C323 V331I285-V329 HydrophobicContact CG2-CG2 3.96Å; I322-V329 CarbonylContact O-C 3.39Å; I322-V329 WeakPolarHBondContact O-CA 3.31Å; C323-V329 HydrophobicContact CB-CG2 4.26Å; V329-V331 HydrophobicContact CG1-CG2 4.16Å
330F74.1Confident72.6Confident102 Ų10249.5 Ų49.545%0.44729%0.291SS..EExtended strand (participates in β ladder)trans-115.2127.2175.8-61-90.9000108.8S321 I322 L324 Q328 F332S321-F330 CarbonylContact C-O 3.35Å; S321-F330 VanDerWaalsContact CA-O 3.31Å; S321-F330 WeakPolarHBondContact CA-O 3.44Å; I322-F330 PolarHBondContact N-O 3.04Å; I322-F330 PolarHBondContact O-N 3.42Å; L324-F330 HydrophobicContact CD1-CD2 4.42Å; L324-F330 HydrophobicContact CD1-CE2 3.64Å; L324-F330 HydrophobicContact CG-CD2 4.45Å; L324-F330 HydrophobicContact CG-CE2 4.09Å; Q328-F330 HydrophobicContact CB-CE2 3.82Å; Q328-F330 HydrophobicContact CB-CZ 4.28Å; F330-F332 HydrophobicContact CB-CE2 3.77Å; F330-F332 HydrophobicContact CB-CZ 3.99Å
331V77.7Confident71.6Confident82 Ų8249.5 Ų49.550%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-116.9128.4-179.3-175.70000109M319 V329M319-V331 HydrophobicContact CG-CG1 3.67Å; M319-V331 HydrophobicContact SD-CG1 3.4Å; M319-V331 WeakPolarHBondContact SD-CG1 3.24Å; V329-V331 HydrophobicContact CG1-CG2 4.16Å
332F79.2Confident71Confident50 Ų5052.1 Ų52.122%0.21930%0.303CS..EExtended strand (participates in β ladder)trans-118.6111.9-178.1-58.1-83.1000109.4M319 I320 I322 F330 L334 I340 L346M319-F332 CarbonylContact C-O 3.49Å; M319-F332 VanDerWaalsContact CA-O 3.29Å; M319-F332 WeakPolarHBondContact CA-O 3.14Å; M319-F332 WeakPolarHBondContact CG-O 3.47Å; I320-F332 HydrophobicContact CB-CB 4.47Å; I320-F332 HydrophobicContact CG2-CD2 4.46Å; I320-F332 PolarHBondContact N-O 3.4Å; I320-F332 PolarHBondContact O-N 2.89Å; I322-F332 HydrophobicContact CD1-CE2 4.12Å; I322-F332 HydrophobicContact CG1-CE2 4.31Å; F330-F332 HydrophobicContact CB-CE2 3.77Å; F330-F332 HydrophobicContact CB-CZ 3.99Å; F332-L334 PolarHBondContact O-N 3.28Å; F332-I340 HydrophobicContact CB-CG2 4.16Å; F332-I340 HydrophobicContact CD1-CG2 3.62Å; F332-I340 HydrophobicContact CE1-CG2 4.42Å; F332-I340 HydrophobicContact CG-CG2 4.21Å; F332-L346 HydrophobicContact CB-CD2 4.29Å; F332-L346 HydrophobicContact CD1-CD2 4.38Å; F332-L346 HydrophobicContact CD2-CD1 4.31Å; F332-L346 HydrophobicContact CD2-CD2 4.01Å; F332-L346 HydrophobicContact CE2-CD1 3.99Å; F332-L346 HydrophobicContact CE2-CD2 4.43Å; F332-L346 HydrophobicContact CG-CD2 3.97Å; F332-L346 HydrophobicContact CZ-CD1 4.29Å
333D80.1Confident70.3Confident71 Ų7156.9 Ų56.938%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-80.5110.2174.3-179.9-13000110.2A335 H336D333-A335 WeakPolarHBondContact OD1-CB 3.25Å; D333-A335 PolarHBondContact OD1-N 2.93Å; D333-H336 PolarHBondContact OD1-N 3.42Å; D333-H336 IonicContact OD1-ND1 3.34Å; D333-H336 PolarHBondContact OD1-ND1 2.58Å; D333-H336 IonicContact OD2-CE1 3.77Å; D333-H336 IonicContact OD2-CG 3.82Å; D333-H336 IonicContact OD2-ND1 2.72Å; D333-H336 PolarHBondContact OD2-ND1 2.76Å
334L81.6Confident70.1Confident5 Ų560.7 Ų60.73%0.02635%0.35CS..THydrogen-bonded Turntrans-94.8-17179.7-67.7164.6000112.7L317 T318 I320 F332 H336 A338 I340 L341L317-L334 HydrophobicContact CD2-CD1 3.72Å; L317-L334 HydrophobicContact CG-CD1 3.68Å; L317-L334 WeakPolarHBondContact O-CB 3.4Å; T318-L334 WeakPolarHBondContact O-CA 3.38Å; T318-L334 PolarHBondContact O-N 3.06Å; I320-L334 HydrophobicContact CB-CD1 4.39Å; I320-L334 HydrophobicContact CD1-CD1 3.68Å; I320-L334 HydrophobicContact CG1-CD1 3.6Å; F332-L334 PolarHBondContact O-N 3.28Å; L334-H336 VanDerWaalsContact C-N 3.29Å; L334-H336 PolarHBondContact O-N 3.45Å; L334-A338 PolarHBondContact O-N 3.49Å; L334-A338 VanDerWaalsContact O-N 3.14Å; L334-I340 HydrophobicContact CD2-CB 4.48Å; L334-L341 HydrophobicContact CD1-CD1 3.83Å; L334-L341 HydrophobicContact CD2-CB 3.79Å; L334-L341 HydrophobicContact CD2-CD1 3.85Å; L334-L341 HydrophobicContact CD2-CG 4.4Å
335A75.9Confident70.2Confident65 Ų6559.2 Ų59.254%0.53735%0.349SS..THydrogen-bonded Turntrans-62.8-40.5176.800000110.8T318 D333T318-A335 HydrophobicContact CG2-CB 4.15Å; T318-A335 PolarHBondContact O-N 2.94Å; T318-A335 VanDerWaalsContact O-N 3.09Å; D333-A335 WeakPolarHBondContact OD1-CB 3.25Å; D333-A335 PolarHBondContact OD1-N 2.93Å
336H71.2Confident71.3Confident157 Ų15758.1 Ų58.173%0.72734%0.342SS*.THydrogen-bonded Turntrans-90.7-30.9177.5-63.694000113.1D333 L334D333-H336 PolarHBondContact OD1-N 3.42Å; D333-H336 IonicContact OD1-ND1 3.34Å; D333-H336 PolarHBondContact OD1-ND1 2.58Å; D333-H336 IonicContact OD2-CE1 3.77Å; D333-H336 IonicContact OD2-CG 3.82Å; D333-H336 IonicContact OD2-ND1 2.72Å; D333-H336 PolarHBondContact OD2-ND1 2.76Å; L334-H336 VanDerWaalsContact C-N 3.29Å; L334-H336 PolarHBondContact O-N 3.45Å
337T71.5Confident72.4Confident59 Ų5958.9 Ų58.936%0.36233%0.332SS..  trans-141.466.8-171.1-43.60000112.1S339 I340T337-S339 WeakPolarHBondContact CG2-OG 3.39Å; T337-S339 PolarHBondContact O-N 3.49Å; T337-I340 HydrophobicContact CG2-CD1 3.95Å; T337-I340 HydrophobicContact CG2-CG1 3.67Å; T337-I340 WeakPolarHBondContact O-CB 3.47Å; T337-I340 WeakPolarHBondContact O-CG1 2.94Å; T337-I340 PolarHBondContact O-N 2.78Å
338A68.9Low73.4Confident40 Ų4063.2 Ų63.233%0.33135%0.348SS..THydrogen-bonded Turntrans-53.8-25173.600000113.8L334 I340 L341 Y373L334-A338 PolarHBondContact O-N 3.49Å; L334-A338 VanDerWaalsContact O-N 3.14Å; A338-I340 PolarHBondContact O-N 2.98Å; A338-L341 VanDerWaalsContact O-CB 3.31Å; A338-L341 WeakPolarHBondContact O-CB 3.31Å; A338-L341 PolarHBondContact O-N 2.93Å; A338-Y373 HydrophobicContact CB-CE1 4.16Å
339S69.8Low74.3Confident33 Ų3361.2 Ų61.223%0.23134%0.34CS..THydrogen-bonded Turntrans-64.9-20.9176.465.20000113.4T337 L341 L342 E343T337-S339 WeakPolarHBondContact CG2-OG 3.39Å; T337-S339 PolarHBondContact O-N 3.49Å; S339-L341 PolarHBondContact O-N 3.48Å; S339-L342 CarbonylContact O-C 3.44Å; S339-L342 PolarHBondContact O-N 3.4Å; S339-E343 WeakPolarHBondContact O-CB 3.39Å; S339-E343 PolarHBondContact O-N 3.04Å
340I66.2Low75.1Confident32 Ų3258.7 Ų58.716%0.16433%0.325CS..Hα-helixtrans-53.8-39.7172.6-72.5169.7000110.7F332 L334 T337 A338 L342 C344 L346F332-I340 HydrophobicContact CB-CG2 4.16Å; F332-I340 HydrophobicContact CD1-CG2 3.62Å; F332-I340 HydrophobicContact CE1-CG2 4.42Å; F332-I340 HydrophobicContact CG-CG2 4.21Å; L334-I340 HydrophobicContact CD2-CB 4.48Å; T337-I340 HydrophobicContact CG2-CD1 3.95Å; T337-I340 HydrophobicContact CG2-CG1 3.67Å; T337-I340 WeakPolarHBondContact O-CB 3.47Å; T337-I340 WeakPolarHBondContact O-CG1 2.94Å; T337-I340 PolarHBondContact O-N 2.78Å; A338-I340 PolarHBondContact O-N 2.98Å; I340-L342 PolarHBondContact O-N 3.4Å; I340-C344 HydrophobicContact CG2-CB 4.28Å; I340-C344 WeakPolarHBondContact O-CB 3.18Å; I340-C344 PolarHBondContact O-N 3.15Å; I340-L346 HydrophobicContact CG2-CD2 4.3Å
341L67.5Low75.7Confident0 Ų056.9 Ų56.90%032%0.318CS..Hα-helixtrans-60.9-35.1178.8-151.585.8000111.7I320 L334 A338 S339 L346 K347 L350 L369 Y373 I375I320-L341 HydrophobicContact CD1-CD1 3.26Å; L334-L341 HydrophobicContact CD1-CD1 3.83Å; L334-L341 HydrophobicContact CD2-CB 3.79Å; L334-L341 HydrophobicContact CD2-CD1 3.85Å; L334-L341 HydrophobicContact CD2-CG 4.4Å; A338-L341 VanDerWaalsContact O-CB 3.31Å; A338-L341 WeakPolarHBondContact O-CB 3.31Å; A338-L341 PolarHBondContact O-N 2.93Å; S339-L341 PolarHBondContact O-N 3.48Å; L341-L346 HydrophobicContact CD1-CD2 4.04Å; L341-K347 WeakPolarHBondContact O-CA 3.35Å; L341-K347 WeakPolarHBondContact O-CB 3.33Å; L341-K347 PolarHBondContact O-N 3.07Å; L341-L350 HydrophobicContact CD1-CD1 4.35Å; L341-L369 HydrophobicContact CD1-CD2 4.46Å; L341-L369 HydrophobicContact CD2-CD2 3.93Å; L341-Y373 HydrophobicContact CD2-CD1 3.53Å; L341-Y373 HydrophobicContact CD2-CD2 3.67Å; L341-Y373 HydrophobicContact CD2-CE1 4.07Å; L341-Y373 HydrophobicContact CD2-CE2 4.19Å; L341-Y373 HydrophobicContact CD2-CG 3.29Å; L341-I375 HydrophobicContact CB-CD1 4.5Å; L341-I375 HydrophobicContact CD2-CD1 3.32Å; L341-I375 HydrophobicContact CG-CD1 3.57Å
342L69.3Low75.8Confident77 Ų7753.9 Ų53.940%0.40330%0.3SS..Hα-helixtrans-101.9-22.9-171.1-63175.7000114.2S339 I340 K347 I375S339-L342 CarbonylContact O-C 3.44Å; S339-L342 PolarHBondContact O-N 3.4Å; I340-L342 PolarHBondContact O-N 3.4Å; L342-K347 HydrophobicContact CD2-CD 4.19Å; L342-I375 HydrophobicContact CD2-CD1 4.1Å; L342-I375 HydrophobicContact CD2-CG1 4.31Å
343E66.4Low75.8Confident110 Ų11057.2 Ų57.251%0.51432%0.32SS..Hα-helixtrans-118.1-17.3-166.9-61.6-178.6176.400113.7S128 S339S128-E343 WeakPolarHBondContact CB-OE1 3.19Å; S128-E343 PolarHBondContact OG-OE1 3.34Å; S128-E343 PolarHBondContact OG-OE2 3.13Å; S128-E343 VanDerWaalsContact OG-OE2 3.04Å; S339-E343 WeakPolarHBondContact O-CB 3.39Å; S339-E343 PolarHBondContact O-N 3.04Å
344C68.4Low75.6Confident89 Ų8958.8 Ų58.860%0.60133%0.326SS*.SBendtrans-105.117.9-171.6-61.50000114.7I340 L346I340-C344 HydrophobicContact CG2-CB 4.28Å; I340-C344 WeakPolarHBondContact O-CB 3.18Å; I340-C344 PolarHBondContact O-N 3.15Å; C344-L346 VanDerWaalsContact C-N 3.26Å; C344-L346 PolarHBondContact O-N 3.33Å
345G72.9Confident75.6Confident27 Ų2763 Ų6328%0.27834%0.342SS..SBendtrans86.6-10-178.500000114.2K347 E348 I349G345-K347 PolarHBondContact O-N 3.15Å; G345-E348 WeakPolarHBondContact CA-OE2 3.2Å; G345-E348 WeakPolarHBondContact O-CB 3.3Å; G345-E348 PolarHBondContact O-N 3.35Å; G345-I349 WeakPolarHBondContact O-CG1 3.29Å; G345-I349 PolarHBondContact O-N 2.66Å
346L81.2Confident75.7Confident2 Ų262.9 Ų62.91%0.0133%0.332CS..Hα-helixtrans-68.1-37.4-174.2-167.760.5000111.6I320 I322 F332 I340 L341 C344 E348 I349 L350I320-L346 HydrophobicContact CD1-CD2 4.13Å; I322-L346 HydrophobicContact CD1-CD1 3.5Å; F332-L346 HydrophobicContact CB-CD2 4.29Å; F332-L346 HydrophobicContact CD1-CD2 4.38Å; F332-L346 HydrophobicContact CD2-CD1 4.31Å; F332-L346 HydrophobicContact CD2-CD2 4.01Å; F332-L346 HydrophobicContact CE2-CD1 3.99Å; F332-L346 HydrophobicContact CE2-CD2 4.43Å; F332-L346 HydrophobicContact CG-CD2 3.97Å; F332-L346 HydrophobicContact CZ-CD1 4.29Å; I340-L346 HydrophobicContact CG2-CD2 4.3Å; L341-L346 HydrophobicContact CD1-CD2 4.04Å; C344-L346 VanDerWaalsContact C-N 3.26Å; C344-L346 PolarHBondContact O-N 3.33Å; L346-E348 VanDerWaalsContact C-N 3.31Å; L346-E348 PolarHBondContact O-N 3.13Å; L346-I349 PolarHBondContact O-N 2.95Å; L346-L350 HydrophobicContact CG-CD1 4.47Å; L346-L350 VanDerWaalsContact O-CG 3.31Å; L346-L350 WeakPolarHBondContact O-CG 3.24Å; L346-L350 PolarHBondContact O-N 3.37Å
347K82.9Confident76.4Confident62 Ų6255.4 Ų55.427%0.2730%0.297SS..Hα-helixtrans-56.5-46.7171.3166173179.4-175.70111.3L341 L342 G345 I349 L350 Q351 I375L341-K347 WeakPolarHBondContact O-CA 3.35Å; L341-K347 WeakPolarHBondContact O-CB 3.33Å; L341-K347 PolarHBondContact O-N 3.07Å; L342-K347 HydrophobicContact CD2-CD 4.19Å; G345-K347 PolarHBondContact O-N 3.15Å; K347-I349 VanDerWaalsContact C-N 3.32Å; K347-I349 PolarHBondContact O-N 3.48Å; K347-L350 PolarHBondContact O-N 3.28Å; K347-Q351 HydrophobicContact CG-CG 4.46Å; K347-Q351 WeakPolarHBondContact O-CB 3.45Å; K347-Q351 WeakPolarHBondContact O-CG 3.49Å; K347-Q351 PolarHBondContact O-N 2.97Å; K347-I375 HydrophobicContact CB-CD1 3.83Å; K347-I375 HydrophobicContact CB-CG1 4.34Å; K347-I375 HydrophobicContact CD-CD1 4.34Å; K347-I375 HydrophobicContact CD-CG1 4.09Å; K347-I375 HydrophobicContact CG-CD1 4.03Å; K347-I375 HydrophobicContact CG-CG1 3.98Å
348E81.8Confident76.8Confident107 Ų10753 Ų5350%0.528%0.282SS..Hα-helixtrans-63.3-40.9-179.5-65.577.1179.600110.6G345 L346 Q351 S352G345-E348 WeakPolarHBondContact CA-OE2 3.2Å; G345-E348 WeakPolarHBondContact O-CB 3.3Å; G345-E348 PolarHBondContact O-N 3.35Å; L346-E348 VanDerWaalsContact C-N 3.31Å; L346-E348 PolarHBondContact O-N 3.13Å; E348-Q351 CarbonylContact O-C 3.39Å; E348-Q351 PolarHBondContact O-N 3.29Å; E348-S352 VanDerWaalsContact O-CB 3.28Å; E348-S352 WeakPolarHBondContact O-CB 3.43Å; E348-S352 PolarHBondContact O-N 3.47Å
349I83.4Confident77.4Confident62 Ų6251.2 Ų51.232%0.31827%0.267SS..Hα-helixtrans-63.2-48.1175-68.5169.4000111.1M302 G345 L346 K347 Q351 S352 K357M302-I349 HydrophobicContact CE-CG2 3.4Å; M302-I349 HydrophobicContact SD-CG2 3.87Å; G345-I349 WeakPolarHBondContact O-CG1 3.29Å; G345-I349 PolarHBondContact O-N 2.66Å; L346-I349 PolarHBondContact O-N 2.95Å; K347-I349 VanDerWaalsContact C-N 3.32Å; K347-I349 PolarHBondContact O-N 3.48Å; I349-Q351 VanDerWaalsContact C-N 3.3Å; I349-Q351 PolarHBondContact O-N 2.72Å; I349-S352 PolarHBondContact O-N 3.33Å; I349-K357 WeakPolarHBondContact O-CE 3.34Å; I349-K357 PolarHBondContact O-NZ 3.38Å
350L87.7Confident77.7Confident0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-65-34.4178-66.7173.5000112.1I304 F306 I320 L341 L346 K347 L369 I375 I377 W378I304-L350 HydrophobicContact CD1-CD2 3.69Å; F306-L350 HydrophobicContact CZ-CD2 4.01Å; I320-L350 HydrophobicContact CD1-CD1 4.38Å; L341-L350 HydrophobicContact CD1-CD1 4.35Å; L346-L350 HydrophobicContact CG-CD1 4.47Å; L346-L350 VanDerWaalsContact O-CG 3.31Å; L346-L350 WeakPolarHBondContact O-CG 3.24Å; L346-L350 PolarHBondContact O-N 3.37Å; K347-L350 PolarHBondContact O-N 3.28Å; L350-L369 HydrophobicContact CD1-CD1 4.43Å; L350-L369 HydrophobicContact CD1-CD2 4.4Å; L350-I375 HydrophobicContact CB-CG2 4.26Å; L350-I375 HydrophobicContact CD1-CG2 4.41Å; L350-I377 HydrophobicContact CD2-CD1 4.09Å; L350-I377 HydrophobicContact CD2-CG1 4.43Å; L350-I377 WeakPolarHBondContact O-CA 3.33Å; L350-W378 PolarHBondContact O-N 3Å; L350-W378 VanDerWaalsContact O-N 3.1Å
351Q85.2Confident78.1Confident64 Ų6453.6 Ų53.630%0.29928%0.277SS..Hα-helixtrans-84.5-10.3179.3-79.8-175.6-44.500114.4K347 E348 I349 I375 R376K347-Q351 HydrophobicContact CG-CG 4.46Å; K347-Q351 WeakPolarHBondContact O-CB 3.45Å; K347-Q351 WeakPolarHBondContact O-CG 3.49Å; K347-Q351 PolarHBondContact O-N 2.97Å; E348-Q351 CarbonylContact O-C 3.39Å; E348-Q351 PolarHBondContact O-N 3.29Å; I349-Q351 VanDerWaalsContact C-N 3.3Å; I349-Q351 PolarHBondContact O-N 2.72Å; Q351-I375 HydrophobicContact CG-CG2 4.25Å; Q351-R376 WeakPolarHBondContact CG-O 3.45Å
352S80.3Confident78.7Confident19 Ų1954.7 Ų54.713%0.13329%0.285CS..  trans-70.8144.9179.7174.20000110.5E348 I349 E354 Y355 K357E348-S352 VanDerWaalsContact O-CB 3.28Å; E348-S352 WeakPolarHBondContact O-CB 3.43Å; E348-S352 PolarHBondContact O-N 3.47Å; I349-S352 PolarHBondContact O-N 3.33Å; S352-E354 WeakPolarHBondContact OG-CB 3.5Å; S352-E354 PolarHBondContact OG-N 2.72Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.44Å; S352-K357 PolarHBondContact O-NZ 3.39Å
353D79Confident79.1Confident120 Ų12058.2 Ų58.264%0.64229%0.292SS*.SBendtrans-95.4-1.5166.158.8-12.8000112E379D353-E379 HydrophobicContact CB-CG 3.78Å; D353-E379 WeakPolarHBondContact O-CG 3.38Å
354E77.2Confident79.8Confident105 Ų10558 Ų5849%0.49129%0.29SS..SBendtrans-78.6-24179.7-58.5-165.9139.800112.8R300 S352R300-E354 WeakPolarHBondContact CB-O 3.33Å; R300-E354 WeakPolarHBondContact CD-O 3.13Å; S352-E354 WeakPolarHBondContact OG-CB 3.5Å; S352-E354 PolarHBondContact OG-N 2.72Å
355Y80.2Confident80.7Confident93 Ų9354.3 Ų54.337%0.36526%0.264SS..SBendtrans-113.2130.5-178.5-55-90.3000111R300 M302 S352 K357R300-Y355 CarbonylContact O-C 3.39Å; R300-Y355 WeakPolarHBondContact O-CA 3.39Å; M302-Y355 HydrophobicContact CE-CD1 4.19Å; M302-Y355 HydrophobicContact CE-CD2 4.24Å; M302-Y355 HydrophobicContact CE-CG 3.65Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.44Å; Y355-K357 WeakPolarHBondContact O-CD 3.41Å; Y355-K357 WeakPolarHBondContact O-CE 3.41Å; Y355-K357 PolarHBondContact O-NZ 2.66Å
356L77.8Confident81.2Confident63 Ų6354.6 Ų54.633%0.3326%0.264SS..EExtended strand (participates in β ladder)trans-79.8116.7169.9-176.965.9000109.7R300 V301 M302 E379 F381R300-L356 PolarHBondContact O-N 2.85Å; V301-L356 HydrophobicContact CG2-CB 4.36Å; V301-L356 HydrophobicContact CG2-CD2 4.33Å; M302-L356 PolarHBondContact N-O 3.44Å; L356-E379 WeakPolarHBondContact CA-O 3.23Å; L356-F381 HydrophobicContact CD1-CB 4.05Å; L356-F381 HydrophobicContact CD2-CB 4.47Å; L356-F381 HydrophobicContact CG-CB 4.32Å
357K86.6Confident81.2Confident0 Ų059.1 Ų59.10%029%0.288CS..EExtended strand (participates in β ladder)trans-93.3113.6176-6589.7-172.91620109.2M302 I304 I349 S352 Y355 V359 W378 E379 V380 F381M302-K357 HydrophobicContact CE-CD 4.17Å; M302-K357 VanDerWaalsContact CE-CE 3.41Å; M302-K357 HydrophobicContact CE-CG 3.89Å; M302-K357 HydrophobicContact CG-CG 4.26Å; M302-K357 HydrophobicContact SD-CG 4.41Å; I304-K357 HydrophobicContact CD1-CB 3.97Å; I304-K357 HydrophobicContact CD1-CG 3.41Å; I304-K357 VanDerWaalsContact CD1-CG 3.41Å; I304-K357 HydrophobicContact CG1-CB 4.33Å; I304-K357 HydrophobicContact CG1-CG 4.23Å; I349-K357 WeakPolarHBondContact O-CE 3.34Å; I349-K357 PolarHBondContact O-NZ 3.38Å; S352-K357 PolarHBondContact O-NZ 3.39Å; Y355-K357 WeakPolarHBondContact O-CD 3.41Å; Y355-K357 WeakPolarHBondContact O-CE 3.41Å; Y355-K357 PolarHBondContact O-NZ 2.66Å; K357-V359 HydrophobicContact CB-CG2 4.05Å; K357-W378 WeakPolarHBondContact CD-O 3.1Å; K357-W378 PolarHBondContact NZ-O 3.28Å; K357-E379 PolarHBondContact N-O 3.11Å; K357-V380 HydrophobicContact CB-CG2 4.44Å; K357-V380 CarbonylContact O-C 3.53Å; K357-V380 VanDerWaalsContact O-CA 3.31Å; K357-V380 WeakPolarHBondContact O-CA 3.34Å; K357-F381 PolarHBondContact O-N 2.85Å
358V80.6Confident81.3Confident7 Ų756.7 Ų56.74%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-85.8116.9170.4-173.80000108.9V301 M302 I304 F381 T383 L427V301-V358 HydrophobicContact CG1-CG2 3.92Å; M302-V358 PolarHBondContact O-N 3.04Å; I304-V358 PolarHBondContact N-O 3.28Å; V358-F381 WeakPolarHBondContact CA-O 3.44Å; V358-F381 HydrophobicContact CG1-CD1 3.85Å; V358-F381 HydrophobicContact CG2-CB 4.25Å; V358-F381 HydrophobicContact CG2-CD1 4.36Å; V358-T383 HydrophobicContact CG1-CG2 3.49Å; V358-T383 VanDerWaalsContact CG1-CG2 3.49Å; V358-L427 HydrophobicContact CB-CD1 3.84Å; V358-L427 HydrophobicContact CG1-CD1 3.25Å; V358-L427 HydrophobicContact CG2-CD1 3.99Å
359V80.9Confident81.5Confident4 Ų451.6 Ų51.62%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-131.1152.8-174.4-174.90000109.2I304 F306 K357 I377 V380 F381 D382 T383I304-V359 HydrophobicContact CB-CG2 4.24Å; F306-V359 HydrophobicContact CD2-CG1 3.97Å; F306-V359 HydrophobicContact CE2-CG1 3.88Å; F306-V359 HydrophobicContact CE2-CG2 4.04Å; K357-V359 HydrophobicContact CB-CG2 4.05Å; V359-I377 HydrophobicContact CG2-CD1 4.37Å; V359-V380 HydrophobicContact CB-CG1 4Å; V359-V380 HydrophobicContact CG2-CG1 3.97Å; V359-F381 PolarHBondContact N-O 3.49Å; V359-D382 CarbonylContact O-C 3.59Å; V359-D382 WeakPolarHBondContact O-CA 3.45Å; V359-T383 PolarHBondContact O-N 3.29Å; V359-T383 PolarHBondContact O-OG1 3.48Å
360H75.5Confident81.6Confident103 Ų10353 Ų5348%0.47726%0.255SS..SBendtrans-104.5121.9169.1-169.279.4000110.1T383 Q384H360-T383 WeakPolarHBondContact CA-OG1 3.36Å; H360-T383 WeakPolarHBondContact CB-OG1 3.09Å; H360-T383 PolarHBondContact ND1-OG1 2.6Å; H360-Q384 PolarHBondContact NE2-NE2 3.14Å
361G75.1Confident81.3Confident11 Ų1158.4 Ų58.411%0.11328%0.281CS..SBendtrans70.246.8175.900000113.1R363 K364 D382G361-R363 PolarHBondContact O-N 3.2Å; G361-R363 VanDerWaalsContact O-N 3.11Å; G361-K364 PolarHBondContact O-N 2.85Å; G361-D382 PolarHBondContact N-OD1 2.77Å
362S80.6Confident81.2Confident24 Ų2460.1 Ų60.117%0.16829%0.289CS..Hα-helixtrans-58.9-25.8-17366.90000114.3K364 I365 A366 D382S362-K364 PolarHBondContact O-N 2.96Å; S362-I365 PolarHBondContact O-N 2.81Å; S362-A366 VanDerWaalsContact O-CB 3.3Å; S362-A366 WeakPolarHBondContact O-CB 3.45Å; S362-A366 PolarHBondContact O-N 3.48Å; S362-D382 VanDerWaalsContact CB-OD2 3.27Å; S362-D382 WeakPolarHBondContact CB-OD2 3.46Å; S362-D382 PolarHBondContact N-OD2 2.98Å; S362-D382 PolarHBondContact OG-OD2 3.42Å
363R77.2Confident81.3Confident150 Ų15061 Ų6157%0.56629%0.289SS*.Hα-helixtrans-59.5-49-178-174.8-177.5-64.5-152.9-2112.7G361 I365 A366 N367G361-R363 PolarHBondContact O-N 3.2Å; G361-R363 VanDerWaalsContact O-N 3.11Å; R363-I365 VanDerWaalsContact C-N 3.31Å; R363-I365 PolarHBondContact O-N 2.94Å; R363-A366 PolarHBondContact O-N 3.44Å; R363-N367 PolarHBondContact O-N 3.29Å; R363-N367 VanDerWaalsContact O-N 3.14Å
364K81.9Confident81.4Confident107 Ų10762.2 Ų62.247%0.46529%0.285SS..Hα-helixtrans-62.3-45179.1-179.2179.9-73.6-155.20109.8I308 E315 G361 S362 N367 I368I308-K364 HydrophobicContact CD1-CD 3.88Å; I308-K364 HydrophobicContact CD1-CG 4.23Å; E315-K364 WeakPolarHBondContact OE1-CE 3.44Å; E315-K364 IonicContact OE1-NZ 2.78Å; E315-K364 PolarHBondContact OE1-NZ 3.33Å; G361-K364 PolarHBondContact O-N 2.85Å; S362-K364 PolarHBondContact O-N 2.96Å; K364-N367 PolarHBondContact O-N 3.12Å; K364-I368 HydrophobicContact CD-CD1 4.49Å; K364-I368 HydrophobicContact CG-CD1 3.97Å; K364-I368 PolarHBondContact O-N 3.1Å
365I86.7Confident81.8Confident10 Ų1057.2 Ų57.25%0.05126%0.261CS..Hα-helixtrans-62.1-46.6179.1-58.7-45.5000111.9F306 I308 S362 R363 N367 I368 L369F306-I365 HydrophobicContact CB-CD1 3.42Å; F306-I365 VanDerWaalsContact CB-CD1 3.42Å; F306-I365 HydrophobicContact CB-CG1 3.9Å; F306-I365 HydrophobicContact CB-CG2 4.36Å; F306-I365 HydrophobicContact CD1-CG2 3.52Å; F306-I365 HydrophobicContact CD2-CB 4.39Å; F306-I365 HydrophobicContact CD2-CD1 4.38Å; F306-I365 HydrophobicContact CD2-CG1 3.9Å; F306-I365 HydrophobicContact CD2-CG2 3.7Å; F306-I365 HydrophobicContact CE1-CG2 3.59Å; F306-I365 HydrophobicContact CE2-CG2 3.74Å; F306-I365 HydrophobicContact CG-CB 4.41Å; F306-I365 HydrophobicContact CG-CD1 3.91Å; F306-I365 HydrophobicContact CG-CG1 3.91Å; F306-I365 HydrophobicContact CG-CG2 3.6Å; F306-I365 HydrophobicContact CZ-CG2 3.69Å; I308-I365 HydrophobicContact CD1-CD1 3.35Å; I308-I365 HydrophobicContact CG1-CD1 4.16Å; S362-I365 PolarHBondContact O-N 2.81Å; R363-I365 VanDerWaalsContact C-N 3.31Å; R363-I365 PolarHBondContact O-N 2.94Å; I365-N367 VanDerWaalsContact C-N 3.26Å; I365-N367 PolarHBondContact O-N 2.95Å; I365-I368 PolarHBondContact O-N 2.98Å; I365-L369 HydrophobicContact CG2-CD1 3.68Å; I365-L369 HydrophobicContact CG2-CG 4.02Å; I365-L369 WeakPolarHBondContact O-CB 3.38Å; I365-L369 VanDerWaalsContact O-CG 3.31Å; I365-L369 WeakPolarHBondContact O-CG 3.34Å; I365-L369 PolarHBondContact O-N 3.4Å
366A84.1Confident82.1Confident33 Ų3358.9 Ų58.927%0.27327%0.267SS..Hα-helixtrans-59.4-39.817900000111.3S362 R363 W370 I377S362-A366 VanDerWaalsContact O-CB 3.3Å; S362-A366 WeakPolarHBondContact O-CB 3.45Å; S362-A366 PolarHBondContact O-N 3.48Å; R363-A366 PolarHBondContact O-N 3.44Å; A366-W370 VanDerWaalsContact O-CB 3.24Å; A366-W370 WeakPolarHBondContact O-CB 3.49Å; A366-W370 PolarHBondContact O-N 3.5Å; A366-I377 HydrophobicContact CB-CG2 4.14Å
367N79.9Confident82.5Confident98 Ų9857.1 Ų57.152%0.52426%0.258SS..Hα-helixtrans-64-48.2174.4-79.4-16.1000112R363 K364 I365 W370 Q371R363-N367 PolarHBondContact O-N 3.29Å; R363-N367 VanDerWaalsContact O-N 3.14Å; K364-N367 PolarHBondContact O-N 3.12Å; I365-N367 VanDerWaalsContact C-N 3.26Å; I365-N367 PolarHBondContact O-N 2.95Å; N367-W370 PolarHBondContact O-N 3.3Å; N367-Q371 VanDerWaalsContact O-CB 3.31Å; N367-Q371 WeakPolarHBondContact O-CB 3.3Å; N367-Q371 VanDerWaalsContact O-CG 3.22Å; N367-Q371 WeakPolarHBondContact O-CG 3.27Å; N367-Q371 PolarHBondContact O-N 2.92Å
368I85.2Confident82.3Confident10 Ų1063.2 Ų63.25%0.05128%0.281CS..Hα-helixtrans-62.8-47.3179.3-67.9164.7000110.8I308 E315 L317 K364 I365 W370 Q371 H372 Y373I308-I368 HydrophobicContact CD1-CD1 3.41Å; I308-I368 VanDerWaalsContact CD1-CD1 3.41Å; I308-I368 HydrophobicContact CG1-CD1 3.99Å; I308-I368 HydrophobicContact CG2-CD1 4.32Å; E315-I368 HydrophobicContact CB-CD1 4.3Å; L317-I368 HydrophobicContact CB-CG2 3.92Å; K364-I368 HydrophobicContact CD-CD1 4.49Å; K364-I368 HydrophobicContact CG-CD1 3.97Å; K364-I368 PolarHBondContact O-N 3.1Å; I365-I368 PolarHBondContact O-N 2.98Å; I368-W370 VanDerWaalsContact C-N 3.3Å; I368-W370 PolarHBondContact O-N 3.26Å; I368-Q371 PolarHBondContact O-N 2.85Å; I368-H372 WeakPolarHBondContact O-CB 3.33Å; I368-H372 PolarHBondContact O-CD2 3.42Å; I368-H372 VanDerWaalsContact O-CD2 3.32Å; I368-H372 PolarHBondContact O-N 2.97Å; I368-Y373 HydrophobicContact CG2-CE2 4.31Å
369L87.5Confident82.3Confident0 Ų067.9 Ų67.90%030%0.302CS..Hα-helixtrans-56.8-43.4176.6-73.4177.6000112F306 L317 L341 L350 I365 Y373 R374 I375 I377F306-L369 HydrophobicContact CE1-CD1 4.09Å; F306-L369 HydrophobicContact CZ-CD1 4.38Å; L317-L369 HydrophobicContact CD2-CD2 3.87Å; L341-L369 HydrophobicContact CD1-CD2 4.46Å; L341-L369 HydrophobicContact CD2-CD2 3.93Å; L350-L369 HydrophobicContact CD1-CD1 4.43Å; L350-L369 HydrophobicContact CD1-CD2 4.4Å; I365-L369 HydrophobicContact CG2-CD1 3.68Å; I365-L369 HydrophobicContact CG2-CG 4.02Å; I365-L369 WeakPolarHBondContact O-CB 3.38Å; I365-L369 VanDerWaalsContact O-CG 3.31Å; I365-L369 WeakPolarHBondContact O-CG 3.34Å; I365-L369 PolarHBondContact O-N 3.4Å; L369-Y373 HydrophobicContact CD2-CD2 4.42Å; L369-Y373 CarbonylContact O-C 3.27Å; L369-Y373 WeakPolarHBondContact O-CA 3.31Å; L369-Y373 WeakPolarHBondContact O-CB 3.44Å; L369-Y373 PolarHBondContact O-N 2.97Å; L369-Y373 VanDerWaalsContact O-N 3.14Å; L369-R374 PolarHBondContact O-N 3.33Å; L369-I375 CarbonylContact C-O 3.56Å; L369-I375 HydrophobicContact CB-CB 4.2Å; L369-I375 HydrophobicContact CB-CG2 4.41Å; L369-I375 HydrophobicContact CD1-CG2 4.48Å; L369-I375 PolarHBondContact O-N 2.93Å; L369-I377 HydrophobicContact CD1-CB 4.22Å
370W85.2Confident82.3Confident91 Ų9169.9 Ų69.935%0.34531%0.314SS..Hα-helixtrans-72.1-47.8179.9178.3-109.8000112.7A366 N367 I368 R374 I375 R376A366-W370 VanDerWaalsContact O-CB 3.24Å; A366-W370 WeakPolarHBondContact O-CB 3.49Å; A366-W370 PolarHBondContact O-N 3.5Å; N367-W370 PolarHBondContact O-N 3.3Å; I368-W370 VanDerWaalsContact C-N 3.3Å; I368-W370 PolarHBondContact O-N 3.26Å; W370-R374 VanDerWaalsContact O-CA 3.27Å; W370-R374 WeakPolarHBondContact O-CA 3.34Å; W370-R374 WeakPolarHBondContact O-CD 3.45Å; W370-R374 PolarHBondContact O-N 2.83Å; W370-R374 VanDerWaalsContact O-N 3.1Å; W370-I375 WeakPolarHBondContact CA-O 3.4Å; W370-I375 PolarHBondContact N-O 3.42Å; W370-R376 HydrophobicContact CE3-CG 3.52Å; W370-R376 HydrophobicContact CZ3-CG 3.62Å
371Q81.6Confident82.2Confident115 Ų11569 Ų6954%0.53731%0.309SS..Hα-helixtrans-70.2-44.2-173.8-68.1-64.6-11.500111.9N367 I368N367-Q371 VanDerWaalsContact O-CB 3.31Å; N367-Q371 WeakPolarHBondContact O-CB 3.3Å; N367-Q371 VanDerWaalsContact O-CG 3.22Å; N367-Q371 WeakPolarHBondContact O-CG 3.27Å; N367-Q371 PolarHBondContact O-N 2.92Å; I368-Q371 PolarHBondContact O-N 2.85Å
372H81.8Confident82.1Confident100 Ų10069.3 Ų69.346%0.46331%0.308SS..Hα-helixtrans-90.6-33.5-173.3-64.2-101.9000112.8I368I368-H372 WeakPolarHBondContact O-CB 3.33Å; I368-H372 PolarHBondContact O-CD2 3.42Å; I368-H372 VanDerWaalsContact O-CD2 3.32Å; I368-H372 PolarHBondContact O-N 2.97Å
373Y82.3Confident81.6Confident37 Ų3769.1 Ų69.115%0.14531%0.306CS..Hα-helixtrans-122-5.5-169.8-50.6-82.9000113.9L317 A338 L341 I368 L369 I375L317-Y373 HydrophobicContact CB-CE2 4.25Å; L317-Y373 HydrophobicContact CD2-CE2 4.18Å; A338-Y373 HydrophobicContact CB-CE1 4.16Å; L341-Y373 HydrophobicContact CD2-CD1 3.53Å; L341-Y373 HydrophobicContact CD2-CD2 3.67Å; L341-Y373 HydrophobicContact CD2-CE1 4.07Å; L341-Y373 HydrophobicContact CD2-CE2 4.19Å; L341-Y373 HydrophobicContact CD2-CG 3.29Å; I368-Y373 HydrophobicContact CG2-CE2 4.31Å; L369-Y373 HydrophobicContact CD2-CD2 4.42Å; L369-Y373 CarbonylContact O-C 3.27Å; L369-Y373 WeakPolarHBondContact O-CA 3.31Å; L369-Y373 WeakPolarHBondContact O-CB 3.44Å; L369-Y373 PolarHBondContact O-N 2.97Å; L369-Y373 VanDerWaalsContact O-N 3.14Å; Y373-I375 PolarHBondContact O-N 2.9Å
374R82.7Confident81.1Confident145 Ų14566.3 Ų66.355%0.54730%0.299SS..  trans55.336.2-174.8-56.3-67.2176.7-163.90.8112.5L369 W370L369-R374 PolarHBondContact O-N 3.33Å; W370-R374 VanDerWaalsContact O-CA 3.27Å; W370-R374 WeakPolarHBondContact O-CA 3.34Å; W370-R374 WeakPolarHBondContact O-CD 3.45Å; W370-R374 PolarHBondContact O-N 2.83Å; W370-R374 VanDerWaalsContact O-N 3.1Å
375I85.2Confident80Confident0 Ų063.4 Ų63.40%029%0.29CS..  trans-101.4136.1175.5-66.4178.8000109L341 L342 K347 L350 Q351 L369 W370 Y373L341-I375 HydrophobicContact CB-CD1 4.5Å; L341-I375 HydrophobicContact CD2-CD1 3.32Å; L341-I375 HydrophobicContact CG-CD1 3.57Å; L342-I375 HydrophobicContact CD2-CD1 4.1Å; L342-I375 HydrophobicContact CD2-CG1 4.31Å; K347-I375 HydrophobicContact CB-CD1 3.83Å; K347-I375 HydrophobicContact CB-CG1 4.34Å; K347-I375 HydrophobicContact CD-CD1 4.34Å; K347-I375 HydrophobicContact CD-CG1 4.09Å; K347-I375 HydrophobicContact CG-CD1 4.03Å; K347-I375 HydrophobicContact CG-CG1 3.98Å; L350-I375 HydrophobicContact CB-CG2 4.26Å; L350-I375 HydrophobicContact CD1-CG2 4.41Å; Q351-I375 HydrophobicContact CG-CG2 4.25Å; L369-I375 CarbonylContact C-O 3.56Å; L369-I375 HydrophobicContact CB-CB 4.2Å; L369-I375 HydrophobicContact CB-CG2 4.41Å; L369-I375 HydrophobicContact CD1-CG2 4.48Å; L369-I375 PolarHBondContact O-N 2.93Å; W370-I375 WeakPolarHBondContact CA-O 3.4Å; W370-I375 PolarHBondContact N-O 3.42Å; Y373-I375 PolarHBondContact O-N 2.9Å
376R85.1Confident78.4Confident129 Ų12965 Ų6549%0.48730%0.299SS..  trans-107.7126.1169.4-68.9-174.9-179.4179.5-1.1108Q351 W370 W378Q351-R376 WeakPolarHBondContact CG-O 3.45Å; W370-R376 HydrophobicContact CE3-CG 3.52Å; W370-R376 HydrophobicContact CZ3-CG 3.62Å; R376-W378 HydrophobicContact CB-CZ2 4.41Å
377I87.2Confident76.8Confident25 Ų2567 Ų6713%0.12831%0.305CS..  trans-87.7131.4175-165.6174.9000109.2F306 L350 V359 A366 L369 V380F306-I377 HydrophobicContact CZ-CD1 4.12Å; L350-I377 HydrophobicContact CD2-CD1 4.09Å; L350-I377 HydrophobicContact CD2-CG1 4.43Å; L350-I377 WeakPolarHBondContact O-CA 3.33Å; V359-I377 HydrophobicContact CG2-CD1 4.37Å; A366-I377 HydrophobicContact CB-CG2 4.14Å; L369-I377 HydrophobicContact CD1-CB 4.22Å; I377-V380 HydrophobicContact CB-CG2 4.21Å; I377-V380 HydrophobicContact CD1-CG2 3.71Å; I377-V380 HydrophobicContact CG1-CG2 3.54Å; I377-V380 HydrophobicContact CG2-CG2 3.88Å
378W83.1Confident74.9Confident129 Ų12965.3 Ų65.349%0.48930%0.301SS..  trans-118.5155.4-178.2-64.5106.3000111.4L350 K357 R376L350-W378 PolarHBondContact O-N 3Å; L350-W378 VanDerWaalsContact O-N 3.1Å; K357-W378 WeakPolarHBondContact CD-O 3.1Å; K357-W378 PolarHBondContact NZ-O 3.28Å; R376-W378 HydrophobicContact CB-CZ2 4.41Å
379E80.6Confident72.7Confident105 Ų10568 Ų6849%0.49132%0.315SS..SBendtrans50.965.9-179-67.5-59.5137.500112.8D353 L356 K357D353-E379 HydrophobicContact CB-CG 3.78Å; D353-E379 WeakPolarHBondContact O-CG 3.38Å; L356-E379 WeakPolarHBondContact CA-O 3.23Å; K357-E379 PolarHBondContact N-O 3.11Å
380V79.6Confident70.4Confident46 Ų4672.7 Ų72.728%0.27934%0.335SS..EExtended strand (participates in β ladder)trans-107.7126.7-177.3-178.40000111K357 V359 I377K357-V380 HydrophobicContact CB-CG2 4.44Å; K357-V380 CarbonylContact O-C 3.53Å; K357-V380 VanDerWaalsContact O-CA 3.31Å; K357-V380 WeakPolarHBondContact O-CA 3.34Å; V359-V380 HydrophobicContact CB-CG1 4Å; V359-V380 HydrophobicContact CG2-CG1 3.97Å; I377-V380 HydrophobicContact CB-CG2 4.21Å; I377-V380 HydrophobicContact CD1-CG2 3.71Å; I377-V380 HydrophobicContact CG1-CG2 3.54Å; I377-V380 HydrophobicContact CG2-CG2 3.88Å
381F74.2Confident67.9Low84 Ų8475.6 Ų75.637%0.36835%0.351SS..EExtended strand (participates in β ladder)trans-95.6102.2164.5-175.3-98.1000109.3L356 K357 V358 V359 T383 N386L356-F381 HydrophobicContact CD1-CB 4.05Å; L356-F381 HydrophobicContact CD2-CB 4.47Å; L356-F381 HydrophobicContact CG-CB 4.32Å; K357-F381 PolarHBondContact O-N 2.85Å; V358-F381 WeakPolarHBondContact CA-O 3.44Å; V358-F381 HydrophobicContact CG1-CD1 3.85Å; V358-F381 HydrophobicContact CG2-CB 4.25Å; V358-F381 HydrophobicContact CG2-CD1 4.36Å; V359-F381 PolarHBondContact N-O 3.49Å; F381-T383 HydrophobicContact CD1-CG2 4.21Å; F381-T383 HydrophobicContact CE1-CG2 4.21Å; F381-T383 PolarHBondContact O-N 3.39Å; F381-N386 HydrophobicContact CZ-CB 4.1Å
382D73.4Confident65.5Low17 Ų1774.7 Ų74.79%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-84.6109.2179.1-166.5-24.7000111.4V359 G361 S362 Q384 V385 N386V359-D382 CarbonylContact O-C 3.59Å; V359-D382 WeakPolarHBondContact O-CA 3.45Å; G361-D382 PolarHBondContact N-OD1 2.77Å; S362-D382 VanDerWaalsContact CB-OD2 3.27Å; S362-D382 WeakPolarHBondContact CB-OD2 3.46Å; S362-D382 PolarHBondContact N-OD2 2.98Å; S362-D382 PolarHBondContact OG-OD2 3.42Å; D382-Q384 VanDerWaalsContact C-N 3.26Å; D382-Q384 PolarHBondContact O-N 2.83Å; D382-Q384 VanDerWaalsContact OD1-CB 3.26Å; D382-Q384 WeakPolarHBondContact OD1-CB 3.26Å; D382-Q384 PolarHBondContact OD1-N 3.05Å; D382-V385 HydrophobicContact CB-CB 4.11Å; D382-V385 HydrophobicContact CB-CG2 3.95Å; D382-V385 PolarHBondContact O-N 3.35Å; D382-N386 WeakPolarHBondContact O-CB 3.13Å; D382-N386 PolarHBondContact O-N 3.42Å
383T69.3Low63.4Low20 Ų2077.3 Ų77.312%0.12337%0.366CS..Hα-helixtrans-65.3-27.817959.50000112.8V358 V359 H360 F381 N387V358-T383 HydrophobicContact CG1-CG2 3.49Å; V358-T383 VanDerWaalsContact CG1-CG2 3.49Å; V359-T383 PolarHBondContact O-N 3.29Å; V359-T383 PolarHBondContact O-OG1 3.48Å; H360-T383 WeakPolarHBondContact CA-OG1 3.36Å; H360-T383 WeakPolarHBondContact CB-OG1 3.09Å; H360-T383 PolarHBondContact ND1-OG1 2.6Å; F381-T383 HydrophobicContact CD1-CG2 4.21Å; F381-T383 HydrophobicContact CE1-CG2 4.21Å; F381-T383 PolarHBondContact O-N 3.39Å; T383-N387 WeakPolarHBondContact O-CB 3.46Å; T383-N387 PolarHBondContact O-N 3.29Å; T383-N387 PolarHBondContact O-ND2 3.42Å
384Q66Low61.6Low92 Ų9283.4 Ų83.443%0.4340%0.396SS..Hα-helixtrans-69.7-47.9177.2-173.9177.491.300110.8H360 D382 N386 N387 S388H360-Q384 PolarHBondContact NE2-NE2 3.14Å; D382-Q384 VanDerWaalsContact C-N 3.26Å; D382-Q384 PolarHBondContact O-N 2.83Å; D382-Q384 VanDerWaalsContact OD1-CB 3.26Å; D382-Q384 WeakPolarHBondContact OD1-CB 3.26Å; D382-Q384 PolarHBondContact OD1-N 3.05Å; Q384-N386 VanDerWaalsContact C-N 3.32Å; Q384-N386 PolarHBondContact O-N 3.19Å; Q384-N387 PolarHBondContact O-N 2.98Å; Q384-S388 PolarHBondContact O-N 3.43Å; Q384-S388 PolarHBondContact O-OG 3.21Å
385V59.8Low59.2Low45 Ų4578.9 Ų78.927%0.27339%0.394SS..Hα-helixtrans-62.2-42.41771770000110.4D382 N387 S388 I389 L407D382-V385 HydrophobicContact CB-CB 4.11Å; D382-V385 HydrophobicContact CB-CG2 3.95Å; D382-V385 PolarHBondContact O-N 3.35Å; V385-N387 PolarHBondContact O-N 2.78Å; V385-S388 PolarHBondContact O-N 3.43Å; V385-I389 HydrophobicContact CG1-CD1 3.79Å; V385-I389 HydrophobicContact CG1-CG1 4.35Å; V385-I389 VanDerWaalsContact O-CG1 3.32Å; V385-I389 WeakPolarHBondContact O-CG1 3.31Å; V385-I389 PolarHBondContact O-N 3.43Å; V385-L407 HydrophobicContact CG1-CD1 4.47Å
386N51.7Low56.7Low43 Ų4386.4 Ų86.423%0.2343%0.434CS..Hα-helixtrans-63.1-39.9177.5-171.946.9000112.6F381 D382 Q384 I389 K390F381-N386 HydrophobicContact CZ-CB 4.1Å; D382-N386 WeakPolarHBondContact O-CB 3.13Å; D382-N386 PolarHBondContact O-N 3.42Å; Q384-N386 VanDerWaalsContact C-N 3.32Å; Q384-N386 PolarHBondContact O-N 3.19Å; N386-I389 PolarHBondContact O-N 3.24Å; N386-K390 PolarHBondContact O-N 3.38Å; N386-K390 VanDerWaalsContact O-N 3.14Å
387N51.3Low54.2Low75 Ų7590.9 Ų90.940%0.40145%0.451SS..Hα-helixtrans-63-44174.3-74.6-15000110.9T383 Q384 V385 I389 K390 F391T383-N387 WeakPolarHBondContact O-CB 3.46Å; T383-N387 PolarHBondContact O-N 3.29Å; T383-N387 PolarHBondContact O-ND2 3.42Å; Q384-N387 PolarHBondContact O-N 2.98Å; V385-N387 PolarHBondContact O-N 2.78Å; N387-I389 PolarHBondContact O-N 3.22Å; N387-K390 PolarHBondContact O-N 2.92Å; N387-F391 WeakPolarHBondContact O-CD2 3.42Å; N387-F391 PolarHBondContact O-N 3.46Å
388S40.2Very low51.7Low64 Ų6495.8 Ų95.845%0.44849%0.485SS..Hα-helixtrans-64.1-37.9177.3-58.80000113.4Q384 V385 F391 I392Q384-S388 PolarHBondContact O-N 3.43Å; Q384-S388 PolarHBondContact O-OG 3.21Å; V385-S388 PolarHBondContact O-N 3.43Å; S388-F391 PolarHBondContact O-N 3.24Å; S388-I392 WeakPolarHBondContact O-CG1 3.49Å; S388-I392 PolarHBondContact O-N 3.41Å
389I38.1Very low49.5Very low65 Ų6598.4 Ų98.433%0.33350%0.5SS..Hα-helixtrans-66.2-39.1177.3-68.8170.3000111.2V385 N386 N387 F391 I392 D393 L407V385-I389 HydrophobicContact CG1-CD1 3.79Å; V385-I389 HydrophobicContact CG1-CG1 4.35Å; V385-I389 VanDerWaalsContact O-CG1 3.32Å; V385-I389 WeakPolarHBondContact O-CG1 3.31Å; V385-I389 PolarHBondContact O-N 3.43Å; N386-I389 PolarHBondContact O-N 3.24Å; N387-I389 PolarHBondContact O-N 3.22Å; I389-F391 VanDerWaalsContact C-N 3.26Å; I389-F391 PolarHBondContact O-N 3.27Å; I389-I392 PolarHBondContact O-N 3.14Å; I389-D393 PolarHBondContact O-N 3.04Å; I389-D393 VanDerWaalsContact O-N 3.08Å; I389-L407 HydrophobicContact CD1-CD1 4.11Å; I389-L407 HydrophobicContact CD1-CD2 3.79Å
390K39.7Very low47Very low99 Ų9998.9 Ų98.943%0.4351%0.51SS..Hα-helixtrans-58.2-38.5173.5-75.6-179.8178.91760112.6N386 N387 I392 E394N386-K390 PolarHBondContact O-N 3.38Å; N386-K390 VanDerWaalsContact O-N 3.14Å; N387-K390 PolarHBondContact O-N 2.92Å; K390-I392 VanDerWaalsContact C-N 3.32Å; K390-I392 PolarHBondContact O-N 3.44Å; K390-E394 PolarHBondContact O-N 3.23Å
391F33.5Very low44.5Very low153 Ų153105.8 Ų105.867%0.67154%0.539SS*.Hα-helixtrans-67.8-30.5175.7-77-72.9000113N387 S388 I389 E394 G395N387-F391 WeakPolarHBondContact O-CD2 3.42Å; N387-F391 PolarHBondContact O-N 3.46Å; S388-F391 PolarHBondContact O-N 3.24Å; I389-F391 VanDerWaalsContact C-N 3.26Å; I389-F391 PolarHBondContact O-N 3.27Å; F391-E394 PolarHBondContact O-N 3.46Å; F391-G395 PolarHBondContact O-N 3.01Å
392I30.6Very low42.2Very low96 Ų96104.4 Ų104.449%0.49255%0.549SS..Hα-helixtrans-72.6-40.7177.8-65.7167.5000110.9S388 I389 K390 E394 G395S388-I392 WeakPolarHBondContact O-CG1 3.49Å; S388-I392 PolarHBondContact O-N 3.41Å; I389-I392 PolarHBondContact O-N 3.14Å; K390-I392 VanDerWaalsContact C-N 3.32Å; K390-I392 PolarHBondContact O-N 3.44Å; I392-E394 PolarHBondContact O-N 2.79Å; I392-G395 PolarHBondContact O-N 2.82Å
393D38.2Very low40Very low154 Ų154110.3 Ų110.382%0.82459%0.585SS**Hα-helixtrans-64.8-25.1175.8-115.710.7000112.2I389I389-D393 PolarHBondContact O-N 3.04Å; I389-D393 VanDerWaalsContact O-N 3.08Å
394E44.7Very low38.2Very low166 Ų166113.8 Ų113.878%0.77661%0.606SS**THydrogen-bonded Turntrans-90.3-6.7178.3-73.3-177.6178.800114.8K390 F391 I392K390-E394 PolarHBondContact O-N 3.23Å; F391-E394 PolarHBondContact O-N 3.46Å; I392-E394 PolarHBondContact O-N 2.79Å
395G31.3Very low36.5Very low50 Ų50115.5 Ų115.552%0.51562%0.623SS.*SBendtrans148.8116.2168.200000116.5F391 I392F391-G395 PolarHBondContact O-N 3.01Å; I392-G395 PolarHBondContact O-N 2.82Å
396D33.9Very low35.1Very low158 Ų158117.6 Ų117.685%0.84564%0.639SS**  trans33.989.9149.6-84.1-21.5000118.2
397R32.2Very low34.3Very low222 Ų222120 Ų12084%0.83865%0.652SS**  -167143.9125.9-105.5-177.9-81.4-158.31.4112.5
398P35.3Very low33.1Very low128 Ų128119.9 Ų119.983%0.83166%0.661SS**PPolyproline II helixtrans-89.7140.8-166.727.8-18.8000112.8
399F35.3Very low32.9Very low185 Ų185123.6 Ų123.681%0.81168%0.676SS**PPolyproline II helixtrans-103.4130.8172-150.5-88.4000112.2
400T28.1Very low32.7Very low114 Ų114130.1 Ų130.170%0.69970%0.696SS**PPolyproline II helixtrans-90.1124.1-179.8300000112.3
401Q27.9Very low32.2Very low191 Ų191130.2 Ų130.289%0.89370%0.701SS**SBendtrans69.2112.9145.6-135.71606.300120.3
402G25.4Very low32Very low56 Ų56130.4 Ų130.458%0.57770%0.704SS**  trans132.656.1149.200000117.4
403V27.2Very low32.1Very low141 Ų141130.5 Ų130.586%0.85571%0.712SS**  trans22.196.3156.9-167.10000117.5
404V30.9Very low31.8Very low92 Ų92128.7 Ų128.756%0.55870%0.702SS**PPolyproline II helixtrans-87.2133.5149.4175.60000107.1
405V31.2Very low31.1Very low128 Ų128127.1 Ų127.178%0.77670%0.698SS**PPolyproline II helixtrans-51.3143.1-179.4179.90000111.1L407V405-L407 PolarHBondContact O-N 3.21Å
406S31.1Very low30.9Very low89 Ų89129.6 Ų129.662%0.62271%0.705SS**PPolyproline II helixtrans-60126.1-153.168.30000115.7A408S406-A408 PolarHBondContact O-N 3.35Å
407L33.6Very low30.8Very low95 Ų95129.8 Ų129.850%0.49771%0.705SS.*SBendtrans-72.44.4170.8-142.5109.2000113.4V385 I389 V405V385-L407 HydrophobicContact CG1-CD1 4.47Å; I389-L407 HydrophobicContact CD1-CD1 4.11Å; I389-L407 HydrophobicContact CD1-CD2 3.79Å; V405-L407 PolarHBondContact O-N 3.21Å
408A27.3Very low30.7Very low71 Ų71123.2 Ų123.259%0.58771%0.707SS**  trans-126.2-12.7-145.200000117.9S406S406-A408 PolarHBondContact O-N 3.35Å
409N35.4Very low30.6Very low142 Ų142125.8 Ų125.876%0.75971%0.705SS**SBendtrans-86.4-4.1177.1-80.611.4000114.6
410R34.4Very low30.4Very low203 Ų203118.9 Ų118.977%0.76669%0.686SS**SBendtrans-132.41.8-176.5-76.3-166.2-173.1-1624.8117.2E412 C413R410-E412 PolarHBondContact O-N 2.87Å; R410-E412 VanDerWaalsContact O-N 3.15Å; R410-C413 WeakPolarHBondContact O-CB 3.4Å; R410-C413 PolarHBondContact O-N 3.15Å
411L28.7Very low30.6Very low101 Ų101122.7 Ų122.753%0.52969%0.687SS.*G310 helixtrans-61-19.8163.9-123104.2000111.3C413 L414 L415L411-C413 VanDerWaalsContact C-N 3.25Å; L411-C413 PolarHBondContact O-N 2.6Å; L411-L414 PolarHBondContact O-N 3.48Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å
412E29.7Very low31Very low157 Ų157117.9 Ų117.973%0.73467%0.668SS**G310 helixtrans-64.4-20.3167.5-72.8-167.3160.600114.4R410 P416R410-E412 PolarHBondContact O-N 2.87Å; R410-E412 VanDerWaalsContact O-N 3.15Å; E412-P416 WeakPolarHBondContact O-CD 3.28Å
413C32.7Very low31.7Very low98 Ų98119.7 Ų119.766%0.66267%0.668SS**G310 helixtrans-85.6-11.9173.1-70.10000114.1R410 L411 L415R410-C413 WeakPolarHBondContact O-CB 3.4Å; R410-C413 PolarHBondContact O-N 3.15Å; L411-C413 VanDerWaalsContact C-N 3.25Å; L411-C413 PolarHBondContact O-N 2.6Å; C413-L415 VanDerWaalsContact C-N 3.3Å
414L30.8Very low31.9Very low116 Ų116119.8 Ų119.861%0.60765%0.653SS**SBendtrans-84.6-9.6169.8-72.7172.2000112.1L411L411-L414 PolarHBondContact O-N 3.48Å
415L30.2Very low32.1Very low132 Ų132121 Ų12169%0.69165%0.653SS**SBendtrans-94.5-17.2-162.7-80.8169.6000117.8L411 C413L411-L415 WeakPolarHBondContact O-CG 3.42Å; C413-L415 VanDerWaalsContact C-N 3.3Å
416P28Very low32.4Very low102 Ų102116.5 Ų116.566%0.66263%0.63SS**SBendtrans-140.253.4170.339.8-22.9000115.8E412E412-P416 WeakPolarHBondContact O-CD 3.28Å
417L31.1Very low33.1Very low162 Ų162114.9 Ų114.985%0.84861%0.614SS**SBendtrans-131.666.2155.2-76.5174.4000109.8K419L417-K419 PolarHBondContact O-N 3.23Å
418G31Very low33.1Very low85 Ų85116.1 Ų116.188%0.87662%0.617SS**SBendtrans37.86.7145.700000123.5
419K33.2Very low33.8Very low182 Ų182115.9 Ų115.979%0.79161%0.611SS**  trans-152.620-171.5-68-167.1177.4-178.80114.3L417L417-K419 PolarHBondContact O-N 3.23Å
420G30.1Very low34Very low40 Ų40111.2 Ų111.241%0.41258%0.584SS.*  trans-103.4-0.1-175.200000116.9N422 V423G420-N422 PolarHBondContact O-N 3.26Å; G420-V423 PolarHBondContact O-N 3.33Å; G420-V423 VanDerWaalsContact O-N 3.14Å
421R33.4Very low34.5Very low193 Ų193103.9 Ų103.973%0.72856%0.56SS**THydrogen-bonded Turntrans-68.416.7177.4-89.8-179.2172.9-178.21.6114.1R424R421-R424 VanDerWaalsContact C-CB 3.43Å; R421-R424 VanDerWaalsContact CD-NH1 3.31Å; R421-R424 WeakPolarHBondContact O-CB 3.5Å; R421-R424 VanDerWaalsContact O-CD 3.24Å; R421-R424 WeakPolarHBondContact O-CD 3.46Å
422N35.3Very low35.3Very low91 Ų91102.9 Ų102.949%0.48756%0.561SS.*THydrogen-bonded Turntrans-138.627.4168.2-85.8-24.4000115G420 R424 M425 A426G420-N422 PolarHBondContact O-N 3.26Å; N422-R424 VanDerWaalsContact CA-N 3.29Å; N422-M425 WeakPolarHBondContact ND2-CE 3.32Å; N422-M425 WeakPolarHBondContact OD1-CE 3.02Å; N422-A426 VanDerWaalsContact O-CB 3.28Å; N422-A426 WeakPolarHBondContact O-CB 3.42Å
423V39.9Very low35.3Very low94 Ų94105.1 Ų105.157%0.5756%0.563SS**THydrogen-bonded Turntrans-62.4-22.6131.31740000109G420 A426G420-V423 PolarHBondContact O-N 3.33Å; G420-V423 VanDerWaalsContact O-N 3.14Å; V423-A426 WeakPolarHBondContact O-CB 3.44Å; V423-A426 PolarHBondContact O-N 3.34Å
424R30.9Very low35.3Very low143 Ų143105.5 Ų105.554%0.5457%0.565SS.*THydrogen-bonded Turntrans-59.4-51.6-176.3-142.2173.3-172.8-169.2-0.6114R421 N422 A426 Q428R421-R424 VanDerWaalsContact C-CB 3.43Å; R421-R424 VanDerWaalsContact CD-NH1 3.31Å; R421-R424 WeakPolarHBondContact O-CB 3.5Å; R421-R424 VanDerWaalsContact O-CD 3.24Å; R421-R424 WeakPolarHBondContact O-CD 3.46Å; N422-R424 VanDerWaalsContact CA-N 3.29Å; R424-A426 VanDerWaalsContact C-N 3.28Å; R424-Q428 WeakPolarHBondContact O-CB 2.92Å; R424-Q428 WeakPolarHBondContact O-CG 3.24Å; R424-Q428 PolarHBondContact O-OE1 3.28Å
425M36Very low35.5Very low117 Ų117105 Ų10558%0.57656%0.563SS**THydrogen-bonded Turntrans-72.2-20.9167-89.2-164.8-69.900113.3N422 L427 Q428N422-M425 WeakPolarHBondContact ND2-CE 3.32Å; N422-M425 WeakPolarHBondContact OD1-CE 3.02Å; M425-L427 VanDerWaalsContact C-N 3.35Å; M425-L427 PolarHBondContact O-N 3.35Å; M425-Q428 WeakPolarHBondContact O-CA 3.47Å; M425-Q428 WeakPolarHBondContact O-CB 3.45Å; M425-Q428 PolarHBondContact O-N 3.08Å
426A36.7Very low35.8Very low34 Ų34103.5 Ų103.528%0.28156%0.557SS.*THydrogen-bonded Turntrans-80.9-9.3-148.800000116.1M292 N422 V423 R424M292-A426 HydrophobicContact SD-CB 4.34Å; N422-A426 VanDerWaalsContact O-CB 3.28Å; N422-A426 WeakPolarHBondContact O-CB 3.42Å; V423-A426 WeakPolarHBondContact O-CB 3.44Å; V423-A426 PolarHBondContact O-N 3.34Å; R424-A426 VanDerWaalsContact C-N 3.28Å
427L47.2Very low36.2Very low55 Ų55103.6 Ų103.629%0.28855%0.551SS.*THydrogen-bonded Turntrans-136.528.7151.3-73.8173.6000110.2L288 V358 M425 S429 F430L288-L427 HydrophobicContact CD2-CD2 4.08Å; V358-L427 HydrophobicContact CB-CD1 3.84Å; V358-L427 HydrophobicContact CG1-CD1 3.25Å; V358-L427 HydrophobicContact CG2-CD1 3.99Å; M425-L427 VanDerWaalsContact C-N 3.35Å; M425-L427 PolarHBondContact O-N 3.35Å; L427-S429 CarbonylContact O-C 3.09Å; L427-S429 VanDerWaalsContact O-CA 3.31Å; L427-S429 WeakPolarHBondContact O-CA 3.47Å; L427-S429 PolarHBondContact O-N 3.32Å; L427-F430 HydrophobicContact CB-CB 3.88Å; L427-F430 HydrophobicContact CD1-CB 4.48Å; L427-F430 HydrophobicContact CD2-CB 3.37Å; L427-F430 HydrophobicContact CD2-CD1 4.46Å; L427-F430 HydrophobicContact CD2-CD2 3.12Å; L427-F430 HydrophobicContact CD2-CE2 3.98Å; L427-F430 HydrophobicContact CD2-CG 3.4Å; L427-F430 HydrophobicContact CG-CB 4.05Å; L427-F430 HydrophobicContact CG-CD2 4.47Å; L427-F430 HydrophobicContact CG-CG 4.4Å; L427-F430 PolarHBondContact O-N 3.05Å
428Q33.9Very low36.5Very low121 Ų121100.2 Ų100.257%0.56553%0.533SS*.SBendtrans-86.151.2164-92.5179.8-15.500107.9R424 M425R424-Q428 WeakPolarHBondContact O-CB 2.92Å; R424-Q428 WeakPolarHBondContact O-CG 3.24Å; R424-Q428 PolarHBondContact O-OE1 3.28Å; M425-Q428 WeakPolarHBondContact O-CA 3.47Å; M425-Q428 WeakPolarHBondContact O-CB 3.45Å; M425-Q428 PolarHBondContact O-N 3.08Å
429S41.4Very low36.8Very low66 Ų66101.1 Ų101.146%0.46251%0.512SS..SBend-1454.479.4-154.30000113.3L427 I431 S432L427-S429 CarbonylContact O-C 3.09Å; L427-S429 VanDerWaalsContact O-CA 3.31Å; L427-S429 WeakPolarHBondContact O-CA 3.47Å; L427-S429 PolarHBondContact O-N 3.32Å; S429-I431 PolarHBondContact O-N 3.49Å; S429-S432 PolarHBondContact O-N 3.47Å; S429-S432 WeakPolarHBondContact OG-CA 3.48Å; S429-S432 WeakPolarHBondContact OG-CB 3.1Å; S429-S432 PolarHBondContact OG-N 3.29Å
430F39.9Very low37.1Very low43 Ų4395.7 Ų95.719%0.18949%0.493CS..THydrogen-bonded Turntrans21.844.2-154.2-165.3-132.7000112.1L427L427-F430 HydrophobicContact CB-CB 3.88Å; L427-F430 HydrophobicContact CD1-CB 4.48Å; L427-F430 HydrophobicContact CD2-CB 3.37Å; L427-F430 HydrophobicContact CD2-CD1 4.46Å; L427-F430 HydrophobicContact CD2-CD2 3.12Å; L427-F430 HydrophobicContact CD2-CE2 3.98Å; L427-F430 HydrophobicContact CD2-CG 3.4Å; L427-F430 HydrophobicContact CG-CB 4.05Å; L427-F430 HydrophobicContact CG-CD2 4.47Å; L427-F430 HydrophobicContact CG-CG 4.4Å; L427-F430 PolarHBondContact O-N 3.05Å
431I43.9Very low37.6Very low50 Ų5099.7 Ų99.726%0.25650%0.499SS..THydrogen-bonded Turntrans1056.6157.811.271.5000113.6F286 S429 R433F286-I431 HydrophobicContact CB-CB 3.87Å; F286-I431 HydrophobicContact CB-CD1 3.63Å; F286-I431 HydrophobicContact CB-CG1 3.94Å; F286-I431 HydrophobicContact CD1-CB 4.27Å; F286-I431 HydrophobicContact CD1-CG2 4.09Å; F286-I431 HydrophobicContact CD2-CB 3.76Å; F286-I431 HydrophobicContact CD2-CG2 4.2Å; F286-I431 HydrophobicContact CE1-CG2 4.32Å; F286-I431 HydrophobicContact CE2-CB 4.36Å; F286-I431 HydrophobicContact CE2-CG2 4.41Å; F286-I431 HydrophobicContact CG-CB 3.71Å; F286-I431 HydrophobicContact CG-CD1 4.46Å; F286-I431 HydrophobicContact CG-CG1 4.3Å; F286-I431 HydrophobicContact CG-CG2 4.04Å; F286-I431 HydrophobicContact CZ-CG2 4.48Å; S429-I431 PolarHBondContact O-N 3.49Å; I431-R433 WeakPolarHBondContact O-CB 3.45Å; I431-R433 PolarHBondContact O-N 3.36Å
432S45.7Very low37.9Very low80 Ų8092.5 Ų92.556%0.55948%0.481SS*.THydrogen-bonded Turntrans60.3-11.1-166.2179.50000114.3S429S429-S432 PolarHBondContact O-N 3.47Å; S429-S432 WeakPolarHBondContact OG-CA 3.48Å; S429-S432 WeakPolarHBondContact OG-CB 3.1Å; S429-S432 PolarHBondContact OG-N 3.29Å
433R30.2Very low38.1Very low203 Ų20392.7 Ų92.777%0.76648%0.481SS*.THydrogen-bonded Turntrans-168.114.1-149.2-97.8164.7-154.4-114.13.4117.1I431I431-R433 WeakPolarHBondContact O-CB 3.45Å; I431-R433 PolarHBondContact O-N 3.36Å
434C31.8Very low38Very low106 Ų10692.5 Ų92.572%0.71647%0.473SS*.  trans-63.20151.1-67.20000108.1Y305Y305-C434 HydrophobicContact CD2-CB 3.94Å; Y305-C434 HydrophobicContact CE2-CB 3.94Å; Y305-C434 PolarHBondContact OH-O 3.33Å

Retrieved 434 of 434 residues in 155 ms (Link to these results)

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