A0A087XNX2_POEFO Loading...

MALT1 paracaspase

AlphaFold DB (A0A3B3V7Y2), UniProt , Accession A0A087XNX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 828 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
1M38.1Very low63.9Low219 Ų21999.7 Ų99.7100%1.07953%0.528SS*.  0-22.60-83.7-176.9156.400113.5S4M1-S4 PolarHBondContact O-OG 3.21Å
2S43.6Very low65.6Low85 Ų8598.4 Ų98.459%0.59452%0.521SS*.Hα-helixtrans-72.9-45.1177.854.60000114.1S4 L5 E6S2-S4 VanDerWaalsContact C-N 3.29Å; S2-S4 PolarHBondContact O-N 2.99Å; S2-L5 PolarHBondContact O-N 3.48Å; S2-L5 VanDerWaalsContact O-N 3.07Å; S2-E6 PolarHBondContact O-N 3.49Å; S2-E6 VanDerWaalsContact O-N 3.12Å
3D47.5Very low66.9Low122 Ų122100.7 Ų100.765%0.65253%0.533SS*.Hα-helixtrans-61.8-31.8-178.7-90.1-10.4000113.9L5 R7D3-L5 VanDerWaalsContact C-N 3.34Å; D3-R7 PolarHBondContact O-N 3.01Å
4S52.8Low68Low84 Ų8495.3 Ų95.359%0.58750%0.504SS*.Hα-helixtrans-74.7-25.5177.561.50000112.9M1 S2 S8M1-S4 PolarHBondContact O-OG 3.21Å; S2-S4 VanDerWaalsContact C-N 3.29Å; S2-S4 PolarHBondContact O-N 2.99Å; S4-S8 PolarHBondContact O-OG 3.38Å
5L56.3Low68.8Low124 Ų12497.1 Ų97.165%0.64951%0.506SS*.Hα-helixtrans-82.5-33.8178.3-158.674.1000111.2S2 D3 S8 T9S2-L5 PolarHBondContact O-N 3.48Å; S2-L5 VanDerWaalsContact O-N 3.07Å; D3-L5 VanDerWaalsContact C-N 3.34Å; L5-S8 PolarHBondContact O-OG 3.43Å; L5-T9 PolarHBondContact O-OG1 3.17Å
6E61.7Low69.6Low87 Ų87101.6 Ų101.641%0.40752%0.524SS..Hα-helixtrans-68.9-39.6175.6-71.9-174.2176.800112.1S2 S8 T9 M83S2-E6 PolarHBondContact O-N 3.49Å; S2-E6 VanDerWaalsContact O-N 3.12Å; E6-S8 VanDerWaalsContact C-N 3.3Å; E6-S8 PolarHBondContact O-N 3.34Å; E6-T9 WeakPolarHBondContact O-CB 3.49Å; E6-T9 PolarHBondContact O-N 3.26Å; E6-T9 PolarHBondContact O-OG1 2.96Å; E6-M83 WeakPolarHBondContact O-CB 3.36Å
7R73.3Confident70Confident134 Ų134100.2 Ų100.251%0.50653%0.525SS..Hα-helixtrans-68.1-23.8178.3-70-174.7103.9166.72114.3D3 T82 G84 D88D3-R7 PolarHBondContact O-N 3.01Å; R7-T82 WeakPolarHBondContact O-CB 3.47Å; R7-T82 PolarHBondContact O-OG1 3.03Å; R7-G84 PolarHBondContact O-N 2.96Å; R7-D88 IonicContact NH2-OD1 3.92Å; R7-D88 PolarHBondContact NH2-OD1 3.47Å
8S76.1Confident70.7Confident70 Ų7096.7 Ų96.749%0.4951%0.506SS..THydrogen-bonded Turntrans-88-6.7178.562.70000113.8S4 L5 E6 K10S4-S8 PolarHBondContact O-OG 3.38Å; L5-S8 PolarHBondContact O-OG 3.43Å; E6-S8 VanDerWaalsContact C-N 3.3Å; E6-S8 PolarHBondContact O-N 3.34Å; S8-K10 PolarHBondContact O-N 3.04Å
9T82.4Confident71.6Confident50 Ų5092.8 Ų92.831%0.30749%0.487SS..SBendtrans-65.1130.2178.7-60.20000110.6L5 E6 L13 T82 M83L5-T9 PolarHBondContact O-OG1 3.17Å; E6-T9 WeakPolarHBondContact O-CB 3.49Å; E6-T9 PolarHBondContact O-N 3.26Å; E6-T9 PolarHBondContact O-OG1 2.96Å; T9-L13 HydrophobicContact CG2-CB 4.11Å; T9-T82 CarbonylContact O-C 3.12Å; T9-T82 VanDerWaalsContact O-CA 3.28Å; T9-T82 WeakPolarHBondContact O-CA 3.25Å; T9-T82 WeakPolarHBondContact O-CB 3.36Å; T9-M83 HydrophobicContact CG2-CG 4.47Å; T9-M83 PolarHBondContact O-N 3.11Å
10K84.9Confident72.2Confident117 Ų11794.9 Ų94.951%0.50949%0.492SS..BIsolated β-bridgetrans-66.4143.1176.5-67.7-174.5178.6-177.20110.7S8 N12 L13S8-K10 PolarHBondContact O-N 3.04Å; K10-N12 PolarHBondContact O-N 3.21Å; K10-L13 HydrophobicContact CB-CD1 4.22Å; K10-L13 HydrophobicContact CB-CG 4.33Å; K10-L13 WeakPolarHBondContact O-CB 3.45Å; K10-L13 PolarHBondContact O-N 2.67Å
11I86.6Confident72.9Confident5 Ų596.4 Ų96.43%0.02650%0.495CS..G310 helixtrans-57-36.7179.5-66171.4000111.7L13 L14 L73 M76 C81 L86I11-L13 PolarHBondContact O-N 3.01Å; I11-L13 VanDerWaalsContact O-N 3.11Å; I11-L14 HydrophobicContact CB-CD1 4.48Å; I11-L14 HydrophobicContact CG2-CD1 4Å; I11-L14 VanDerWaalsContact O-CB 3.25Å; I11-L14 WeakPolarHBondContact O-CB 3.44Å; I11-L14 VanDerWaalsContact O-CG 3.32Å; I11-L14 WeakPolarHBondContact O-CG 3.49Å; I11-L14 PolarHBondContact O-N 3.24Å; I11-L73 HydrophobicContact CG2-CB 4.45Å; I11-L73 HydrophobicContact CG2-CD2 4.41Å; I11-M76 HydrophobicContact CD1-CB 4.24Å; I11-M76 HydrophobicContact CD1-CE 4.21Å; I11-C81 HydrophobicContact CD1-CB 3.65Å; I11-C81 VanDerWaalsContact CD1-SG 3.54Å; I11-C81 WeakPolarHBondContact CG1-O 3.32Å; I11-C81 PolarHBondContact N-O 2.95Å; I11-C81 VanDerWaalsContact N-O 3.08Å; I11-L86 HydrophobicContact CD1-CB 3.77Å; I11-L86 HydrophobicContact CD1-CD1 4.44Å; I11-L86 HydrophobicContact CD1-CD2 4.09Å; I11-L86 HydrophobicContact CD1-CG 4.31Å; I11-L86 HydrophobicContact CG1-CB 4.19Å; I11-L86 HydrophobicContact CG1-CD2 4.17Å; I11-L86 HydrophobicContact CG2-CD2 4.49Å
12N83.6Confident75.3Confident84 Ų8486 Ų8645%0.44944%0.444SS..G310 helixtrans-64.6-14178-71.1-11.4000114.4K10 G77 E78K10-N12 PolarHBondContact O-N 3.21Å; N12-G77 PolarHBondContact ND2-O 2.9Å; N12-G77 WeakPolarHBondContact OD1-CA 3.27Å; N12-E78 PolarHBondContact ND2-N 2.99Å
13L82.9Confident77.5Confident128 Ų12882.4 Ų82.467%0.6742%0.418SS*.G310 helixtrans-974.4177.1-61.6173.4000112.3T9 K10 I11T9-L13 HydrophobicContact CG2-CB 4.11Å; K10-L13 HydrophobicContact CB-CD1 4.22Å; K10-L13 HydrophobicContact CB-CG 4.33Å; K10-L13 WeakPolarHBondContact O-CB 3.45Å; K10-L13 PolarHBondContact O-N 2.67Å; I11-L13 PolarHBondContact O-N 3.01Å; I11-L13 VanDerWaalsContact O-N 3.11Å
14L82.8Confident79.5Confident25 Ų2580.7 Ų80.713%0.13141%0.406CS..SBendtrans-64.6143.8174.3-76.6170.7000111.2I11 E16 I18 V19 M83 L86 L102I11-L14 HydrophobicContact CB-CD1 4.48Å; I11-L14 HydrophobicContact CG2-CD1 4Å; I11-L14 VanDerWaalsContact O-CB 3.25Å; I11-L14 WeakPolarHBondContact O-CB 3.44Å; I11-L14 VanDerWaalsContact O-CG 3.32Å; I11-L14 WeakPolarHBondContact O-CG 3.49Å; I11-L14 PolarHBondContact O-N 3.24Å; L14-E16 PolarHBondContact O-N 3.21Å; L14-I18 HydrophobicContact CD2-CG2 4.41Å; L14-V19 HydrophobicContact CB-CG2 3.68Å; L14-V19 HydrophobicContact CD1-CG2 4.43Å; L14-M83 HydrophobicContact CD1-SD 3.51Å; L14-M83 VanDerWaalsContact CD1-SD 3.51Å; L14-M83 HydrophobicContact CD2-CE 3.59Å; L14-M83 HydrophobicContact CD2-CG 3.84Å; L14-M83 HydrophobicContact CD2-SD 3.15Å; L14-M83 WeakPolarHBondContact CD2-SD 3.43Å; L14-M83 HydrophobicContact CG-CG 4.27Å; L14-M83 HydrophobicContact CG-SD 3.65Å; L14-L86 HydrophobicContact CD1-CD2 4.43Å; L14-L102 HydrophobicContact CD1-CD2 4.49Å
15K79.9Confident81.3Confident122 Ų12278.5 Ų78.553%0.5339%0.389SS..  trans-59135.6171.6-67.1-177.1179.5176.90109.5S17 I18 V19K15-S17 PolarHBondContact O-N 3.5Å; K15-S17 VanDerWaalsContact O-N 3.12Å; K15-I18 HydrophobicContact CB-CD1 4.21Å; K15-I18 HydrophobicContact CB-CG1 4.36Å; K15-I18 WeakPolarHBondContact O-CB 3.33Å; K15-I18 PolarHBondContact O-N 2.85Å; K15-V19 PolarHBondContact O-N 2.78Å; K15-V19 VanDerWaalsContact O-N 3.17Å
16E80.9Confident82.9Confident170 Ų17072.7 Ų72.779%0.79436%0.358SS*.Hα-helixtrans-54.6-34.5-178.7-170.2174.6-171.500113L14 I18 V19 K20L14-E16 PolarHBondContact O-N 3.21Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 3.37Å; E16-V19 PolarHBondContact O-N 3.32Å; E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 PolarHBondContact O-N 3.43Å
17S76.2Confident84.3Confident77 Ų7771.1 Ų71.154%0.53835%0.353SS..Hα-helixtrans-63.9-32.1175.558.20000113.9K15 K21K15-S17 PolarHBondContact O-N 3.5Å; K15-S17 VanDerWaalsContact O-N 3.12Å; S17-K21 WeakPolarHBondContact O-CG 3.38Å; S17-K21 PolarHBondContact O-N 2.9Å
18I82.8Confident84.9Confident38 Ų3872.5 Ų72.520%0.19536%0.363CS..Hα-helixtrans-74.9-46.2175.3-64.8172.5000109.3L14 K15 E16 K20 K21 L22 C101 L102L14-I18 HydrophobicContact CD2-CG2 4.41Å; K15-I18 HydrophobicContact CB-CD1 4.21Å; K15-I18 HydrophobicContact CB-CG1 4.36Å; K15-I18 WeakPolarHBondContact O-CB 3.33Å; K15-I18 PolarHBondContact O-N 2.85Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 3.37Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.45Å; I18-K21 PolarHBondContact O-N 2.72Å; I18-L22 HydrophobicContact CG2-CD1 3.88Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 2.68Å; I18-C101 WeakPolarHBondContact CG2-O 3.48Å; I18-L102 HydrophobicContact CG2-CD2 4.19Å
19V87.3Confident85.2Confident23 Ų2370.8 Ų70.814%0.13935%0.35CS..Hα-helixtrans-58.9-45.5178.6179.40000110.7L14 K15 E16 K21 L22 C23 L70 L73L14-V19 HydrophobicContact CB-CG2 3.68Å; L14-V19 HydrophobicContact CD1-CG2 4.43Å; K15-V19 PolarHBondContact O-N 2.78Å; K15-V19 VanDerWaalsContact O-N 3.17Å; E16-V19 PolarHBondContact O-N 3.32Å; V19-K21 PolarHBondContact O-N 2.64Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 2.66Å; V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.02Å; V19-C23 PolarHBondContact O-SG 3.09Å; V19-L70 HydrophobicContact CG1-CD1 3.46Å; V19-L70 VanDerWaalsContact CG1-CD1 3.46Å; V19-L73 HydrophobicContact CG1-CD1 4.4Å
20K85.1Confident84.7Confident134 Ų13476.5 Ų76.558%0.58338%0.379SS*.Hα-helixtrans-60-47.3178.2-173174.4179.51740112.5E16 I18 L22 C23 E24E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 PolarHBondContact O-N 3.43Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.45Å; K20-L22 PolarHBondContact O-N 3.17Å; K20-C23 PolarHBondContact O-N 3Å; K20-E24 WeakPolarHBondContact CE-OE1 3.38Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 3.48Å
21K85.6Confident84.4Confident127 Ų12775.4 Ų75.455%0.55239%0.386SS*.Hα-helixtrans-61.4-42.7176.6-73.4178.4179.7-175.60112.1S17 I18 V19 C23 E24 V25 C101S17-K21 WeakPolarHBondContact O-CG 3.38Å; S17-K21 PolarHBondContact O-N 2.9Å; I18-K21 PolarHBondContact O-N 2.72Å; V19-K21 PolarHBondContact O-N 2.64Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.16Å; K21-E24 PolarHBondContact O-N 2.92Å; K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 3.35Å; K21-V25 VanDerWaalsContact O-N 3.09Å; K21-C101 HydrophobicContact CB-CB 4.45Å
22L89.3Confident84.3Confident1 Ų179.5 Ų79.51%0.00540%0.404CS..Hα-helixtrans-59.9-44.7174.5-73.3165.5000111.4I18 V19 K20 V25 L26 L73 L86 L90 A98 C101 L102I18-L22 HydrophobicContact CG2-CD1 3.88Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 2.68Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 2.66Å; K20-L22 PolarHBondContact O-N 3.17Å; L22-V25 PolarHBondContact O-N 3.07Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.38Å; L22-L73 HydrophobicContact CB-CD1 4.32Å; L22-L86 HydrophobicContact CD1-CD2 4.41Å; L22-L90 HydrophobicContact CD2-CD1 4.2Å; L22-A98 HydrophobicContact CD2-CB 4.11Å; L22-A98 WeakPolarHBondContact CD2-O 3.4Å; L22-C101 HydrophobicContact CD2-CB 3.69Å; L22-C101 HydrophobicContact CG-CB 3.89Å; L22-L102 HydrophobicContact CD1-CD2 3.55Å; L22-L102 HydrophobicContact CD2-CD2 4.11Å; L22-L102 HydrophobicContact CD2-CG 4.24Å; L22-L102 HydrophobicContact CG-CD2 4.34Å
23C89.9Confident84.5Confident8 Ų875.7 Ų75.75%0.05439%0.385CS..Hα-helixtrans-64.5-44.4-179.6-63.90000111.5V19 K20 K21 V25 L26 D27 S69 L70V19-C23 WeakPolarHBondContact O-CB 3.45Å; V19-C23 PolarHBondContact O-N 3.02Å; V19-C23 PolarHBondContact O-SG 3.09Å; K20-C23 PolarHBondContact O-N 3Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.16Å; C23-V25 VanDerWaalsContact C-N 3.3Å; C23-V25 PolarHBondContact O-N 3.35Å; C23-L26 PolarHBondContact O-N 3.49Å; C23-D27 VanDerWaalsContact O-CB 3.26Å; C23-D27 WeakPolarHBondContact O-CB 3.42Å; C23-D27 VanDerWaalsContact O-CG 3.31Å; C23-D27 PolarHBondContact O-N 3.26Å; C23-S69 WeakPolarHBondContact CA-OG 3.23Å; C23-S69 WeakPolarHBondContact CB-OG 3.29Å; C23-S69 PolarHBondContact O-OG 3.1Å; C23-L70 VanDerWaalsContact SG-CA 3.55Å
24E88.5Confident84.9Confident87 Ų8771.1 Ų71.141%0.40736%0.359SS..Hα-helixtrans-57.4-42.1175.5-73.8174.5-164.300112.4K20 K21 K28K20-E24 WeakPolarHBondContact CE-OE1 3.38Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 3.48Å; K21-E24 PolarHBondContact O-N 2.92Å; E24-K28 VanDerWaalsContact O-CB 3.28Å; E24-K28 WeakPolarHBondContact O-CB 3.33Å; E24-K28 WeakPolarHBondContact O-CD 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.09Å
25V90.8Very high85.2Confident38 Ų3877 Ų7723%0.2338%0.379CS..Hα-helixtrans-70.6-43.2178.2172.90000111.4K21 L22 C23 S29 D97 A98K21-V25 WeakPolarHBondContact O-CG2 3.37Å; K21-V25 PolarHBondContact O-N 3.35Å; K21-V25 VanDerWaalsContact O-N 3.09Å; L22-V25 PolarHBondContact O-N 3.07Å; C23-V25 VanDerWaalsContact C-N 3.3Å; C23-V25 PolarHBondContact O-N 3.35Å; V25-S29 WeakPolarHBondContact O-CB 3.22Å; V25-S29 PolarHBondContact O-N 3.35Å; V25-D97 HydrophobicContact CG1-CB 3.94Å; V25-D97 HydrophobicContact CG2-CB 4.46Å; V25-A98 HydrophobicContact CG1-CB 4.07Å
26L90.9Very high85.7Confident1 Ų176 Ų761%0.00538%0.375CS..Hα-helixtrans-76.8-31-175.2-70.5171.4000113.2L22 C23 G33 W34 L37 L90 L93 A98L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.38Å; C23-L26 PolarHBondContact O-N 3.49Å; L26-G33 CarbonylContact O-C 3.53Å; L26-G33 WeakPolarHBondContact O-CA 3.15Å; L26-W34 HydrophobicContact CB-CB 4.25Å; L26-W34 PolarHBondContact O-N 2.95Å; L26-L37 HydrophobicContact CD1-CD2 3.8Å; L26-L37 HydrophobicContact CD2-CD2 4.28Å; L26-L90 HydrophobicContact CD2-CD2 3.99Å; L26-L93 HydrophobicContact CD2-CD2 4.16Å; L26-A98 HydrophobicContact CD2-CB 4.43Å
27D90.3Very high86.2Confident54 Ų5467.9 Ų67.929%0.28934%0.337SS..Hα-helixtrans-79.1-32.4177.1-69.9-20.1000112.1C23 S67 S69C23-D27 VanDerWaalsContact O-CB 3.26Å; C23-D27 WeakPolarHBondContact O-CB 3.42Å; C23-D27 VanDerWaalsContact O-CG 3.31Å; C23-D27 PolarHBondContact O-N 3.26Å; D27-S67 WeakPolarHBondContact OD2-CB 3.09Å; D27-S67 PolarHBondContact OD2-OG 2.83Å; D27-S69 WeakPolarHBondContact OD1-CB 3.3Å; D27-S69 PolarHBondContact OD1-N 3.48Å; D27-S69 PolarHBondContact OD1-OG 3.09Å; D27-S69 PolarHBondContact OD2-OG 3Å
28K85.1Confident86.8Confident164 Ų16464.2 Ų64.271%0.71331%0.311SS*.Hα-helixtrans-80.4-15.1178-69.9176.1-177.2172.10114E24E24-K28 VanDerWaalsContact O-CB 3.28Å; E24-K28 WeakPolarHBondContact O-CB 3.33Å; E24-K28 WeakPolarHBondContact O-CD 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.09Å
29S82.9Confident87.1Confident33 Ų3366.6 Ų66.623%0.23132%0.321CS..  trans-88.8113.7-175.4-171.30000112V25 K32 G33V25-S29 WeakPolarHBondContact O-CB 3.22Å; V25-S29 PolarHBondContact O-N 3.35Å; S29-K32 VanDerWaalsContact OG-C 3.25Å; S29-K32 WeakPolarHBondContact OG-CA 3.31Å; S29-K32 WeakPolarHBondContact OG-CB 3.25Å; S29-K32 PolarHBondContact OG-N 3.17Å; S29-K32 PolarHBondContact OG-O 3.1Å; S29-G33 WeakPolarHBondContact O-CA 3.43Å; S29-G33 PolarHBondContact O-N 3.41Å
30N72.1Confident87.2Confident170 Ų17067 Ų6791%0.90932%0.323SS*.SBendtrans-72.7-36-178.3-70.3-14.1000113.6
31S78.4Confident87.4Confident94 Ų9460.7 Ų60.766%0.65730%0.295SS*.SBendtrans-106.6-19.5-175.359.30000114.1
32K85.4Confident87.4Confident91 Ų9156.5 Ų56.540%0.39628%0.282SS..SBendtrans-129.633.2-179-59.9-179.4177.7-178.30111.7S29 L93 G94 N95S29-K32 VanDerWaalsContact OG-C 3.25Å; S29-K32 WeakPolarHBondContact OG-CA 3.31Å; S29-K32 WeakPolarHBondContact OG-CB 3.25Å; S29-K32 PolarHBondContact OG-N 3.17Å; S29-K32 PolarHBondContact OG-O 3.1Å; K32-L93 HydrophobicContact CB-CD1 4.29Å; K32-L93 HydrophobicContact CB-CG 4.17Å; K32-L93 WeakPolarHBondContact O-CD2 3.21Å; K32-G94 PolarHBondContact NZ-O 3.46Å; K32-N95 HydrophobicContact CB-CB 4.37Å; K32-N95 PolarHBondContact O-ND2 3.36Å
33G87.1Confident87.2Confident5 Ų561.4 Ų61.45%0.05232%0.316CS..SBendtrans-94.4-170.1-176.500000114.7L26 S29 R35 K36 L37L26-G33 CarbonylContact O-C 3.53Å; L26-G33 WeakPolarHBondContact O-CA 3.15Å; S29-G33 WeakPolarHBondContact O-CA 3.43Å; S29-G33 PolarHBondContact O-N 3.41Å; G33-R35 VanDerWaalsContact C-N 3.28Å; G33-R35 PolarHBondContact O-N 2.95Å; G33-K36 PolarHBondContact O-N 2.87Å; G33-L37 PolarHBondContact O-N 3.3Å
34W91.4Very high86.8Confident32 Ų3262.4 Ų62.412%0.12132%0.321CS..Hα-helixtrans-56.8-37-174.574.8-91.5000113.7L26 K36 L37 G38 M54 C57 P68 L72L26-W34 HydrophobicContact CB-CB 4.25Å; L26-W34 PolarHBondContact O-N 2.95Å; W34-K36 PolarHBondContact O-N 3.09Å; W34-L37 WeakPolarHBondContact O-CB 3.04Å; W34-L37 PolarHBondContact O-N 3.12Å; W34-G38 PolarHBondContact O-N 3.41Å; W34-M54 HydrophobicContact CE3-CE 4.34Å; W34-M54 HydrophobicContact CZ3-CE 3.85Å; W34-M54 HydrophobicContact CZ3-SD 4.45Å; W34-C57 HydrophobicContact CE3-CB 4.22Å; W34-C57 HydrophobicContact CH2-CB 4.05Å; W34-C57 HydrophobicContact CZ3-CB 3.54Å; W34-P68 HydrophobicContact CD2-CB 3.64Å; W34-P68 HydrophobicContact CE3-CB 4.13Å; W34-P68 HydrophobicContact CG-CB 4.11Å; W34-P68 HydrophobicContact CH2-CB 4.12Å; W34-P68 HydrophobicContact CZ2-CB 3.61Å; W34-P68 HydrophobicContact CZ2-CG 4.33Å; W34-P68 HydrophobicContact CZ3-CB 4.36Å; W34-L72 HydrophobicContact CB-CD2 4.4Å; W34-L72 HydrophobicContact CE3-CD2 4.25Å; W34-L72 WeakPolarHBondContact O-CD2 3.44Å
35R90.2Very high86.4Confident148 Ų14869.1 Ų69.156%0.55834%0.343SS*.Hα-helixtrans-63.9-43.5-179.4-175.5175.3-85.7-157.2-5.6111.1G33 G38 E39 M54G33-R35 VanDerWaalsContact C-N 3.28Å; G33-R35 PolarHBondContact O-N 2.95Å; R35-G38 PolarHBondContact O-N 3.2Å; R35-E39 PolarHBondContact O-N 2.62Å; R35-E39 VanDerWaalsContact O-N 3.09Å; R35-M54 HydrophobicContact CB-CE 4.47Å; R35-M54 HydrophobicContact CG-CE 4.03Å; R35-M54 WeakPolarHBondContact O-CE 3.38Å
36K89.6Confident85.9Confident101 Ų10174.8 Ų74.844%0.43936%0.36SS..Hα-helixtrans-70.5-35.6177.5-161.274.9-166164.80111.9G33 W34 G38 E39 I40 L93G33-K36 PolarHBondContact O-N 2.87Å; W34-K36 PolarHBondContact O-N 3.09Å; K36-G38 VanDerWaalsContact C-N 3.33Å; K36-E39 WeakPolarHBondContact CD-OE2 3.41Å; K36-E39 WeakPolarHBondContact CE-OE2 3.31Å; K36-E39 IonicContact NZ-OE2 2.72Å; K36-E39 PolarHBondContact NZ-OE2 3.31Å; K36-E39 PolarHBondContact O-N 3.15Å; K36-I40 WeakPolarHBondContact O-CG1 3.48Å; K36-I40 PolarHBondContact O-N 3.42Å; K36-I40 VanDerWaalsContact O-N 3.1Å; K36-L93 HydrophobicContact CB-CD1 3.74Å; K36-L93 HydrophobicContact CG-CD1 3.65Å
37L90.7Very high85.4Confident0 Ų075.7 Ų75.70%036%0.364CS..Hα-helixtrans-59-46170-178.861.8000111L26 G33 W34 E39 I40 V41 L72 L86 L90 L93L26-L37 HydrophobicContact CD1-CD2 3.8Å; L26-L37 HydrophobicContact CD2-CD2 4.28Å; G33-L37 PolarHBondContact O-N 3.3Å; W34-L37 WeakPolarHBondContact O-CB 3.04Å; W34-L37 PolarHBondContact O-N 3.12Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-E39 PolarHBondContact O-N 3.2Å; L37-I40 PolarHBondContact O-N 3.16Å; L37-V41 HydrophobicContact CD1-CG2 4.32Å; L37-V41 HydrophobicContact CG-CG2 4.43Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.22Å; L37-L72 HydrophobicContact CB-CD2 4.37Å; L37-L72 HydrophobicContact CD2-CD2 4.4Å; L37-L72 HydrophobicContact CG-CD2 4.37Å; L37-L86 HydrophobicContact CD2-CD1 4.4Å; L37-L90 HydrophobicContact CD1-CD2 4.09Å; L37-L90 HydrophobicContact CD2-CD2 4.15Å; L37-L93 HydrophobicContact CB-CD2 4.13Å; L37-L93 HydrophobicContact CD1-CD2 4.43Å
38G89.5Confident84.8Confident0 Ų079.7 Ų79.70%038%0.379CS..Hα-helixtrans-60.3-38.717700000113.4W34 R35 K36 V41 S42W34-G38 PolarHBondContact O-N 3.41Å; R35-G38 PolarHBondContact O-N 3.2Å; K36-G38 VanDerWaalsContact C-N 3.33Å; G38-V41 PolarHBondContact O-N 3.04Å; G38-S42 WeakPolarHBondContact O-CB 3.17Å; G38-S42 PolarHBondContact O-N 3.21Å; G38-S42 PolarHBondContact O-OG 3.25Å
39E88.8Confident84.7Confident87 Ų8772.3 Ų72.341%0.40735%0.348SS..Hα-helixtrans-63.7-42.6173.5-70.1171.3-159.800112.8R35 K36 L37 V41 S42 S43R35-E39 PolarHBondContact O-N 2.62Å; R35-E39 VanDerWaalsContact O-N 3.09Å; K36-E39 WeakPolarHBondContact CD-OE2 3.41Å; K36-E39 WeakPolarHBondContact CE-OE2 3.31Å; K36-E39 IonicContact NZ-OE2 2.72Å; K36-E39 PolarHBondContact NZ-OE2 3.31Å; K36-E39 PolarHBondContact O-N 3.15Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-E39 PolarHBondContact O-N 3.2Å; E39-V41 VanDerWaalsContact C-N 3.35Å; E39-S42 PolarHBondContact O-N 2.68Å; E39-S43 PolarHBondContact O-N 3.39Å; E39-S43 PolarHBondContact O-OG 3.29Å
40I89.4Confident84.9Confident33 Ų3373.1 Ų73.117%0.16935%0.353CS..Hα-helixtrans-62.4-45.6176.4-67.8167.4000110K36 L37 S42 S43 Y89 T92 L93K36-I40 WeakPolarHBondContact O-CG1 3.48Å; K36-I40 PolarHBondContact O-N 3.42Å; K36-I40 VanDerWaalsContact O-N 3.1Å; L37-I40 PolarHBondContact O-N 3.16Å; I40-S42 PolarHBondContact O-N 3.18Å; I40-S43 WeakPolarHBondContact O-CB 3.36Å; I40-S43 PolarHBondContact O-N 3.24Å; I40-Y89 HydrophobicContact CG2-CD1 3.73Å; I40-Y89 HydrophobicContact CG2-CG 4.28Å; I40-T92 HydrophobicContact CD1-CG2 4.37Å; I40-T92 HydrophobicContact CG2-CG2 4.31Å; I40-L93 HydrophobicContact CD1-CB 3.83Å; I40-L93 HydrophobicContact CD1-CD1 3.85Å; I40-L93 HydrophobicContact CD1-CG 4.43Å
41V90.1Very high85.5Confident0 Ų069.5 Ų69.50%034%0.341CS..Hα-helixtrans-65.7-38.81791770000111.2L37 G38 E39 S43 D44 F47 V49 M76 Y89L37-V41 HydrophobicContact CD1-CG2 4.32Å; L37-V41 HydrophobicContact CG-CG2 4.43Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.22Å; G38-V41 PolarHBondContact O-N 3.04Å; E39-V41 VanDerWaalsContact C-N 3.35Å; V41-S43 PolarHBondContact O-N 2.86Å; V41-D44 WeakPolarHBondContact O-CB 3.36Å; V41-D44 PolarHBondContact O-N 2.95Å; V41-F47 HydrophobicContact CG1-CB 4.09Å; V41-F47 VanDerWaalsContact CG1-O 3.3Å; V41-F47 WeakPolarHBondContact CG1-O 3.41Å; V41-V49 HydrophobicContact CB-CG2 4.44Å; V41-V49 HydrophobicContact CG1-CG2 3.8Å; V41-M76 HydrophobicContact CG1-CE 4.37Å; V41-M76 HydrophobicContact CG1-CG 4.16Å; V41-M76 HydrophobicContact CG1-SD 4.48Å; V41-M76 HydrophobicContact CG2-CE 3.52Å; V41-M76 HydrophobicContact CG2-SD 3.89Å; V41-Y89 HydrophobicContact CG2-CD2 3.69Å; V41-Y89 HydrophobicContact CG2-CE2 3.96Å; V41-Y89 HydrophobicContact CG2-CG 4.09Å
42S85.5Confident85.9Confident39 Ų3970.6 Ų70.627%0.27334%0.339SS..Hα-helixtrans-61.7-25.6176.5-59.40000113.3G38 E39 I40 D44 V49G38-S42 WeakPolarHBondContact O-CB 3.17Å; G38-S42 PolarHBondContact O-N 3.21Å; G38-S42 PolarHBondContact O-OG 3.25Å; E39-S42 PolarHBondContact O-N 2.68Å; I40-S42 PolarHBondContact O-N 3.18Å; S42-D44 VanDerWaalsContact C-N 3.32Å; S42-V49 WeakPolarHBondContact OG-CB 3.42Å; S42-V49 PolarHBondContact OG-O 2.87Å; S42-V49 VanDerWaalsContact OG-O 3.04Å
43S84.4Confident86.1Confident105 Ų10567.3 Ų67.373%0.73433%0.326SS*.THydrogen-bonded Turntrans-77.7-17176.6-56.30000112.8E39 I40 V41E39-S43 PolarHBondContact O-N 3.39Å; E39-S43 PolarHBondContact O-OG 3.29Å; I40-S43 WeakPolarHBondContact O-CB 3.36Å; I40-S43 PolarHBondContact O-N 3.24Å; V41-S43 PolarHBondContact O-N 2.86Å
44D82.6Confident86.2Confident29 Ų2968.3 Ų68.316%0.15533%0.33CS..SBendtrans-82.4126.5174-164-42.3000110.5V41 S42 R46 F47 K48 Y89V41-D44 WeakPolarHBondContact O-CB 3.36Å; V41-D44 PolarHBondContact O-N 2.95Å; S42-D44 VanDerWaalsContact C-N 3.32Å; D44-R46 PolarHBondContact O-N 3.06Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 2.94Å; D44-R46 PolarHBondContact OD1-N 3.42Å; D44-R46 IonicContact OD1-NE 2.68Å; D44-R46 PolarHBondContact OD1-NE 2.94Å; D44-R46 VanDerWaalsContact OD1-NE 3.16Å; D44-R46 IonicContact OD1-NH2 3.52Å; D44-R46 IonicContact OD2-CZ 3.76Å; D44-R46 IonicContact OD2-NE 3.74Å; D44-R46 IonicContact OD2-NH2 2.61Å; D44-R46 PolarHBondContact OD2-NH2 3.35Å; D44-F47 PolarHBondContact O-N 3.12Å; D44-K48 PolarHBondContact O-N 2.87Å; D44-Y89 HydrophobicContact CB-CE1 4.26Å; D44-Y89 WeakPolarHBondContact CB-OH 3.45Å; D44-Y89 PolarHBondContact OD2-OH 3.39Å
45R79.5Confident86.1Confident228 Ų22872.5 Ų72.586%0.8635%0.351SS*.THydrogen-bonded Turntrans-64.8-19.9-179.2-65.4-175.1179.1-170.70113.2
46R79.1Confident86Confident157 Ų15769.8 Ų69.859%0.59235%0.346SS*.THydrogen-bonded Turntrans-85.3-30.5-176.4-64.6173.4-69176.12.5113.6D44 H85D44-R46 PolarHBondContact O-N 3.06Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 2.94Å; D44-R46 PolarHBondContact OD1-N 3.42Å; D44-R46 IonicContact OD1-NE 2.68Å; D44-R46 PolarHBondContact OD1-NE 2.94Å; D44-R46 VanDerWaalsContact OD1-NE 3.16Å; D44-R46 IonicContact OD1-NH2 3.52Å; D44-R46 IonicContact OD2-CZ 3.76Å; D44-R46 IonicContact OD2-NE 3.74Å; D44-R46 IonicContact OD2-NH2 2.61Å; D44-R46 PolarHBondContact OD2-NH2 3.35Å; R46-H85 PolarHBondContact NH1-NE2 3.49Å
47F80.7Confident86Confident19 Ų1965 Ų658%0.08333%0.325CS..SBendtrans-131.835.7-170.1-52.5-69.9000112.4V41 D44 V49 R79 C81 H85 Y89V41-F47 HydrophobicContact CG1-CB 4.09Å; V41-F47 VanDerWaalsContact CG1-O 3.3Å; V41-F47 WeakPolarHBondContact CG1-O 3.41Å; D44-F47 PolarHBondContact O-N 3.12Å; F47-V49 PolarHBondContact O-N 3.42Å; F47-R79 HydrophobicContact CD1-CB 4.17Å; F47-R79 VanDerWaalsContact CD1-O 3.27Å; F47-R79 WeakPolarHBondContact CD1-O 3.45Å; F47-R79 VanDerWaalsContact CE1-O 3.22Å; F47-R79 WeakPolarHBondContact CE1-O 3.33Å; F47-C81 HydrophobicContact CD1-CB 4.05Å; F47-C81 HydrophobicContact CE1-CB 4.1Å; F47-C81 HydrophobicContact CG-CB 4.34Å; F47-C81 HydrophobicContact CZ-CB 4.43Å; F47-H85 HydrophobicContact CE2-CB 4.44Å; F47-H85 AromaticContact CE2-CD2 3.83Å; F47-H85 AromaticContact CE2-CG 3.86Å; F47-H85 AromaticContact CE2-ND1 3.98Å; F47-H85 AromaticContact CE2-NE2 3.94Å; F47-H85 AromaticContact CZ-CE1 3.86Å; F47-H85 AromaticContact CZ-ND1 3.9Å; F47-Y89 WeakPolarHBondContact CD2-OH 3.4Å
48K77.9Confident85.9Confident138 Ų13866.4 Ų66.460%0.634%0.335SS*.  trans-47131.1-177.7-71.6-173.1176.2-175.40111.7D44 R79D44-K48 PolarHBondContact O-N 2.87Å; K48-R79 PolarHBondContact O-NH1 3.41Å
49V84.1Confident85.9Confident10 Ų1071 Ų716%0.06136%0.358CS..  trans-108.1125.8170.5-177.50000107.4V41 S42 F47 D53 M54 L72V41-V49 HydrophobicContact CB-CG2 4.44Å; V41-V49 HydrophobicContact CG1-CG2 3.8Å; S42-V49 WeakPolarHBondContact OG-CB 3.42Å; S42-V49 PolarHBondContact OG-O 2.87Å; S42-V49 VanDerWaalsContact OG-O 3.04Å; F47-V49 PolarHBondContact O-N 3.42Å; V49-D53 HydrophobicContact CG1-CB 3.48Å; V49-D53 VanDerWaalsContact CG1-CB 3.48Å; V49-M54 HydrophobicContact CG1-CG 3.88Å; V49-M54 HydrophobicContact CG1-SD 3.76Å; V49-L72 HydrophobicContact CG1-CD1 4.25Å; V49-L72 HydrophobicContact CG2-CD1 4.28Å
50S85.8Confident85.9Confident50 Ų5070.4 Ų70.435%0.3535%0.353SS..  trans-77.5167.4-178.673.20000111D52 D53 M54S50-D52 PolarHBondContact O-N 3.25Å; S50-D52 PolarHBondContact OG-N 3.44Å; S50-D53 PolarHBondContact N-OD2 3.44Å; S50-D53 PolarHBondContact O-N 2.99Å; S50-D53 PolarHBondContact OG-N 3.39Å; S50-D53 PolarHBondContact OG-OD2 3.32Å; S50-M54 WeakPolarHBondContact O-CG 3.2Å; S50-M54 PolarHBondContact O-N 3.04Å
51S85.4Confident85.7Confident94 Ų9473.8 Ų73.866%0.65738%0.375SS*.Hα-helixtrans-60.1-39.4171.1-167.50000111.2D53 M54 E55S51-D53 PolarHBondContact O-N 3.39Å; S51-M54 WeakPolarHBondContact O-CB 3.46Å; S51-M54 PolarHBondContact O-N 3.35Å; S51-E55 PolarHBondContact O-N 2.94Å
52D87.4Confident85.5Confident116 Ų11680.5 Ų80.562%0.6241%0.41SS*.Hα-helixtrans-65.4-38179.2-53.8-14.7000111.7S50 M54 E55 M56S50-D52 PolarHBondContact O-N 3.25Å; S50-D52 PolarHBondContact OG-N 3.44Å; D52-M54 VanDerWaalsContact C-N 3.34Å; D52-M54 PolarHBondContact O-N 2.85Å; D52-E55 PolarHBondContact O-N 2.83Å; D52-M56 WeakPolarHBondContact O-CB 3.09Å; D52-M56 PolarHBondContact O-N 3.25Å
53D89.1Confident85.4Confident22 Ų2283.2 Ų83.212%0.11842%0.418CS..Hα-helixtrans-62.6-42.2174.3-67.6-29.6000111V49 S50 S51 E55 M56 C57 L75 R79V49-D53 HydrophobicContact CG1-CB 3.48Å; V49-D53 VanDerWaalsContact CG1-CB 3.48Å; S50-D53 PolarHBondContact N-OD2 3.44Å; S50-D53 PolarHBondContact O-N 2.99Å; S50-D53 PolarHBondContact OG-N 3.39Å; S50-D53 PolarHBondContact OG-OD2 3.32Å; S51-D53 PolarHBondContact O-N 3.39Å; D53-E55 VanDerWaalsContact C-N 3.35Å; D53-M56 PolarHBondContact O-N 2.94Å; D53-C57 PolarHBondContact O-N 3.47Å; D53-C57 PolarHBondContact O-SG 2.92Å; D53-L75 HydrophobicContact CB-CD1 4.15Å; D53-R79 IonicContact OD1-NH2 3.26Å; D53-R79 IonicContact OD2-CZ 3.54Å; D53-R79 VanDerWaalsContact OD2-CZ 3.22Å; D53-R79 IonicContact OD2-NH1 2.77Å; D53-R79 PolarHBondContact OD2-NH1 3.33Å; D53-R79 IonicContact OD2-NH2 3.5Å; D53-R79 PolarHBondContact OD2-NH2 3.17Å
54M89.5Confident85Confident27 Ų2785.6 Ų85.613%0.13343%0.428CS..Hα-helixtrans-67.2-37.2179.4-70-63-70.300111.9W34 R35 V49 S50 S51 D52 C57 S58 L72W34-M54 HydrophobicContact CE3-CE 4.34Å; W34-M54 HydrophobicContact CZ3-CE 3.85Å; W34-M54 HydrophobicContact CZ3-SD 4.45Å; R35-M54 HydrophobicContact CB-CE 4.47Å; R35-M54 HydrophobicContact CG-CE 4.03Å; R35-M54 WeakPolarHBondContact O-CE 3.38Å; V49-M54 HydrophobicContact CG1-CG 3.88Å; V49-M54 HydrophobicContact CG1-SD 3.76Å; S50-M54 WeakPolarHBondContact O-CG 3.2Å; S50-M54 PolarHBondContact O-N 3.04Å; S51-M54 WeakPolarHBondContact O-CB 3.46Å; S51-M54 PolarHBondContact O-N 3.35Å; D52-M54 VanDerWaalsContact C-N 3.34Å; D52-M54 PolarHBondContact O-N 2.85Å; M54-C57 PolarHBondContact O-N 2.96Å; M54-S58 PolarHBondContact O-N 2.99Å; M54-S58 VanDerWaalsContact O-N 3.09Å; M54-L72 HydrophobicContact SD-CD1 4.24Å
55E88.8Confident84.6Confident119 Ų11993.2 Ų93.256%0.55646%0.462SS*.Hα-helixtrans-65.8-45.3173.5-169.8165.9-167.900110.8S51 D52 D53 C57 S58 L59S51-E55 PolarHBondContact O-N 2.94Å; D52-E55 PolarHBondContact O-N 2.83Å; D53-E55 VanDerWaalsContact C-N 3.35Å; E55-C57 VanDerWaalsContact C-N 3.32Å; E55-C57 PolarHBondContact O-N 3.11Å; E55-S58 WeakPolarHBondContact O-CB 3.38Å; E55-S58 PolarHBondContact O-N 3.49Å; E55-S58 PolarHBondContact O-OG 3.48Å; E55-L59 WeakPolarHBondContact O-CG 3.48Å; E55-L59 PolarHBondContact O-N 3.45Å; E55-L59 VanDerWaalsContact O-N 3.07Å
56M88.4Confident84.8Confident92 Ų9283.4 Ų83.445%0.45343%0.433SS..Hα-helixtrans-58.5-41.4174.8-171.4-171.5-60.200112.8D52 D53 S58 L59D52-M56 WeakPolarHBondContact O-CB 3.09Å; D52-M56 PolarHBondContact O-N 3.25Å; D53-M56 PolarHBondContact O-N 2.94Å; M56-S58 VanDerWaalsContact C-N 3.33Å; M56-L59 PolarHBondContact O-N 2.96Å
57C89.4Confident85.3Confident0 Ų076.9 Ų76.90%041%0.411CS..Hα-helixtrans-61-43.8173.7-64.80000111.1W34 D53 M54 E55 L59 R60 P68 M71 L75W34-C57 HydrophobicContact CE3-CB 4.22Å; W34-C57 HydrophobicContact CH2-CB 4.05Å; W34-C57 HydrophobicContact CZ3-CB 3.54Å; D53-C57 PolarHBondContact O-N 3.47Å; D53-C57 PolarHBondContact O-SG 2.92Å; M54-C57 PolarHBondContact O-N 2.96Å; E55-C57 VanDerWaalsContact C-N 3.32Å; E55-C57 PolarHBondContact O-N 3.11Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 3.02Å; C57-R60 WeakPolarHBondContact O-CB 3.47Å; C57-R60 PolarHBondContact O-N 2.97Å; C57-P68 VanDerWaalsContact O-CA 3.29Å; C57-P68 WeakPolarHBondContact O-CA 2.98Å; C57-P68 VanDerWaalsContact O-CB 3.31Å; C57-P68 WeakPolarHBondContact O-CB 3.49Å; C57-M71 HydrophobicContact CB-CB 4.42Å; C57-M71 HydrophobicContact CB-CG 4.44Å; C57-L75 VanDerWaalsContact SG-CD1 3.59Å
58S88.8Confident85.8Confident29 Ų2976.5 Ų76.520%0.20341%0.41CS..Hα-helixtrans-63.5-36.2-178.176.70000113.3M54 E55 M56 R60 V61M54-S58 PolarHBondContact O-N 2.99Å; M54-S58 VanDerWaalsContact O-N 3.09Å; E55-S58 WeakPolarHBondContact O-CB 3.38Å; E55-S58 PolarHBondContact O-N 3.49Å; E55-S58 PolarHBondContact O-OG 3.48Å; M56-S58 VanDerWaalsContact C-N 3.33Å; S58-R60 PolarHBondContact O-N 3.35Å; S58-R60 VanDerWaalsContact O-N 3.16Å; S58-V61 VanDerWaalsContact O-CG1 3.25Å; S58-V61 WeakPolarHBondContact O-CG1 3.26Å; S58-V61 PolarHBondContact O-N 3.23Å
59L89.1Confident86.5Confident96 Ų9670 Ų7050%0.50338%0.382SS..Hα-helixtrans-64.6-19.2-179.4-68.2174.6000113E55 M56 C57 V61 L62E55-L59 WeakPolarHBondContact O-CG 3.48Å; E55-L59 PolarHBondContact O-N 3.45Å; E55-L59 VanDerWaalsContact O-N 3.07Å; M56-L59 PolarHBondContact O-N 2.96Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 3.02Å; L59-V61 PolarHBondContact O-N 3.42Å; L59-L62 HydrophobicContact CD2-CD1 4.02Å; L59-L62 VanDerWaalsContact O-CB 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 WeakPolarHBondContact O-CG 3.47Å; L59-L62 PolarHBondContact O-N 3.44Å
60R88.3Confident86.8Confident75 Ų7572 Ų7228%0.28339%0.392SS..G310 helixtrans-63.6-20.1176.4-63.8-62.3176.7171.8-0.9113.4C57 S58 L62 E63 G66 M71C57-R60 WeakPolarHBondContact O-CB 3.47Å; C57-R60 PolarHBondContact O-N 2.97Å; S58-R60 PolarHBondContact O-N 3.35Å; S58-R60 VanDerWaalsContact O-N 3.16Å; R60-L62 PolarHBondContact O-N 3.28Å; R60-L62 VanDerWaalsContact O-N 3.15Å; R60-E63 WeakPolarHBondContact CD-OE2 3.2Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 VanDerWaalsContact NH1-CD 3.34Å; R60-E63 IonicContact NH1-OE1 3.32Å; R60-E63 PolarHBondContact NH1-OE1 2.97Å; R60-E63 IonicContact NH1-OE2 2.86Å; R60-E63 PolarHBondContact NH1-OE2 3.4Å; R60-E63 PolarHBondContact O-N 3.48Å; R60-E63 VanDerWaalsContact O-N 3.13Å; R60-G66 CarbonylContact O-C 3.58Å; R60-G66 WeakPolarHBondContact O-CA 3.19Å; R60-M71 HydrophobicContact CG-CB 4.03Å; R60-M71 HydrophobicContact CG-CE 4.37Å; R60-M71 HydrophobicContact CG-CG 4.4Å
61V86.1Confident87.1Confident104 Ų10470.8 Ų70.863%0.6338%0.381SS*.G310 helixtrans-62.7-18.9172.9800000113.2S58 L59 E63 P68S58-V61 VanDerWaalsContact O-CG1 3.25Å; S58-V61 WeakPolarHBondContact O-CG1 3.26Å; S58-V61 PolarHBondContact O-N 3.23Å; L59-V61 PolarHBondContact O-N 3.42Å; V61-E63 VanDerWaalsContact C-N 3.3Å; V61-P68 HydrophobicContact CB-CG 4.3Å
62L84.9Confident87.4Confident141 Ų14166.3 Ų66.374%0.73835%0.35SS*.G310 helixtrans-80.2-11.9178.9-57.2176.5000112.8L59 R60L59-L62 HydrophobicContact CD2-CD1 4.02Å; L59-L62 VanDerWaalsContact O-CB 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 WeakPolarHBondContact O-CG 3.47Å; L59-L62 PolarHBondContact O-N 3.44Å; R60-L62 PolarHBondContact O-N 3.28Å; R60-L62 VanDerWaalsContact O-N 3.15Å
63E84.1Confident87.5Confident97 Ų9761 Ų6145%0.45332%0.322SS..SBendtrans-91.2140.1175.7-64171.2-177.100109.8R60 V61 E65 G66R60-E63 WeakPolarHBondContact CD-OE2 3.2Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 VanDerWaalsContact NH1-CD 3.34Å; R60-E63 IonicContact NH1-OE1 3.32Å; R60-E63 PolarHBondContact NH1-OE1 2.97Å; R60-E63 IonicContact NH1-OE2 2.86Å; R60-E63 PolarHBondContact NH1-OE2 3.4Å; R60-E63 PolarHBondContact O-N 3.48Å; R60-E63 VanDerWaalsContact O-N 3.13Å; V61-E63 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 3.08Å; E63-E65 VanDerWaalsContact O-N 3.09Å; E63-G66 PolarHBondContact O-N 2.96Å
64V76.1Confident87.6Confident154 Ų15466.3 Ų66.393%0.93334%0.34SS*.THydrogen-bonded Turntrans-56.6-30.6-175.6179.40000113.1
65E74.9Confident87.6Confident189 Ų18965.8 Ų65.888%0.88334%0.338SS*.THydrogen-bonded Turntrans-11913.7175.9-60.1-167.616100112.9E63E63-E65 PolarHBondContact O-N 3.08Å; E63-E65 VanDerWaalsContact O-N 3.09Å
66G82.8Confident87.7Confident23 Ų2360.2 Ų60.224%0.23731%0.312CS..  trans-78.8137.9-175.300000112.6R60 E63R60-G66 CarbonylContact O-C 3.58Å; R60-G66 WeakPolarHBondContact O-CA 3.19Å; E63-G66 PolarHBondContact O-N 2.96Å
67S90.1Very high87.7Confident19 Ų1956 Ų5613%0.13329%0.292CS..  trans-123.4119179.1163.40000110.2D27 S69 L70 M71D27-S67 WeakPolarHBondContact OD2-CB 3.09Å; D27-S67 PolarHBondContact OD2-OG 2.83Å; S67-S69 PolarHBondContact OG-OG 3.13Å; S67-L70 PolarHBondContact O-N 3.22Å; S67-L70 WeakPolarHBondContact OG-CB 3.4Å; S67-L70 PolarHBondContact OG-N 3.37Å; S67-L70 VanDerWaalsContact OG-N 3.08Å; S67-M71 PolarHBondContact O-N 3.45Å
68P91.3Very high87.6Confident11 Ų1162.8 Ų62.87%0.07132%0.324CS..Hα-helixtrans-60.7-41.6175.6-26.936.2000113.4W34 C57 V61 M71 L72W34-P68 HydrophobicContact CD2-CB 3.64Å; W34-P68 HydrophobicContact CE3-CB 4.13Å; W34-P68 HydrophobicContact CG-CB 4.11Å; W34-P68 HydrophobicContact CH2-CB 4.12Å; W34-P68 HydrophobicContact CZ2-CB 3.61Å; W34-P68 HydrophobicContact CZ2-CG 4.33Å; W34-P68 HydrophobicContact CZ3-CB 4.36Å; C57-P68 VanDerWaalsContact O-CA 3.29Å; C57-P68 WeakPolarHBondContact O-CA 2.98Å; C57-P68 VanDerWaalsContact O-CB 3.31Å; C57-P68 WeakPolarHBondContact O-CB 3.49Å; V61-P68 HydrophobicContact CB-CG 4.3Å; P68-M71 PolarHBondContact O-N 3.03Å; P68-L72 PolarHBondContact O-N 3.5Å
69S92.1Very high87.5Confident1 Ų165.9 Ų65.91%0.00733%0.331CS..Hα-helixtrans-63.7-37.6174.456.10000113.1C23 D27 S67 M71 L72 L73C23-S69 WeakPolarHBondContact CA-OG 3.23Å; C23-S69 WeakPolarHBondContact CB-OG 3.29Å; C23-S69 PolarHBondContact O-OG 3.1Å; D27-S69 WeakPolarHBondContact OD1-CB 3.3Å; D27-S69 PolarHBondContact OD1-N 3.48Å; D27-S69 PolarHBondContact OD1-OG 3.09Å; D27-S69 PolarHBondContact OD2-OG 3Å; S67-S69 PolarHBondContact OG-OG 3.13Å; S69-M71 VanDerWaalsContact C-N 3.34Å; S69-M71 PolarHBondContact O-N 3.31Å; S69-L72 PolarHBondContact O-N 2.87Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 VanDerWaalsContact O-CG 3.26Å; S69-L73 WeakPolarHBondContact O-CG 3.04Å; S69-L73 PolarHBondContact O-N 3.18Å
70L91.4Very high87.4Confident52 Ų5262.7 Ų62.727%0.27232%0.321SS..Hα-helixtrans-62-43.8176.4-179.362.6000111.4V19 C23 S67 L73 R74V19-L70 HydrophobicContact CG1-CD1 3.46Å; V19-L70 VanDerWaalsContact CG1-CD1 3.46Å; C23-L70 VanDerWaalsContact SG-CA 3.55Å; S67-L70 PolarHBondContact O-N 3.22Å; S67-L70 WeakPolarHBondContact OG-CB 3.4Å; S67-L70 PolarHBondContact OG-N 3.37Å; S67-L70 VanDerWaalsContact OG-N 3.08Å; L70-L73 PolarHBondContact O-N 3.2Å; L70-R74 WeakPolarHBondContact O-CG 3.43Å; L70-R74 PolarHBondContact O-N 3.32Å
71M90.4Very high87.5Confident25 Ų2559.1 Ų59.112%0.12331%0.307CS..Hα-helixtrans-64.4-43.9176.8-176.954.781.200111.4C57 R60 S67 P68 S69 L73 R74 L75C57-M71 HydrophobicContact CB-CB 4.42Å; C57-M71 HydrophobicContact CB-CG 4.44Å; R60-M71 HydrophobicContact CG-CB 4.03Å; R60-M71 HydrophobicContact CG-CE 4.37Å; R60-M71 HydrophobicContact CG-CG 4.4Å; S67-M71 PolarHBondContact O-N 3.45Å; P68-M71 PolarHBondContact O-N 3.03Å; S69-M71 VanDerWaalsContact C-N 3.34Å; S69-M71 PolarHBondContact O-N 3.31Å; M71-L73 PolarHBondContact O-N 3.29Å; M71-R74 PolarHBondContact O-N 2.93Å; M71-L75 HydrophobicContact CG-CD1 4.31Å; M71-L75 WeakPolarHBondContact O-CG 3.26Å; M71-L75 PolarHBondContact O-N 2.56Å; M71-L75 HydrophobicContact SD-CG 4.4Å
72L91.5Very high87.6Confident1 Ų155.3 Ų55.31%0.00528%0.284CS..Hα-helixtrans-59.9-44.9176.2-179.963.5000111.7W34 L37 V49 M54 P68 S69 R74 L75 M76W34-L72 HydrophobicContact CB-CD2 4.4Å; W34-L72 HydrophobicContact CE3-CD2 4.25Å; W34-L72 WeakPolarHBondContact O-CD2 3.44Å; L37-L72 HydrophobicContact CB-CD2 4.37Å; L37-L72 HydrophobicContact CD2-CD2 4.4Å; L37-L72 HydrophobicContact CG-CD2 4.37Å; V49-L72 HydrophobicContact CG1-CD1 4.25Å; V49-L72 HydrophobicContact CG2-CD1 4.28Å; M54-L72 HydrophobicContact SD-CD1 4.24Å; P68-L72 PolarHBondContact O-N 3.5Å; S69-L72 PolarHBondContact O-N 2.87Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 2.72Å; L72-L75 PolarHBondContact O-N 3.08Å; L72-M76 HydrophobicContact CD1-CG 4.45Å; L72-M76 HydrophobicContact CD1-SD 4.41Å; L72-M76 HydrophobicContact CG-SD 4.02Å; L72-M76 WeakPolarHBondContact O-CB 3.43Å; L72-M76 WeakPolarHBondContact O-CG 3.42Å; L72-M76 PolarHBondContact O-N 3.25Å
73L91.4Very high87.6Confident5 Ų549.6 Ų49.63%0.02625%0.254CS..Hα-helixtrans-63.8-37.4178-71.9172.7000112.3I11 V19 L22 S69 L70 M71 M76 G77 L86I11-L73 HydrophobicContact CG2-CB 4.45Å; I11-L73 HydrophobicContact CG2-CD2 4.41Å; V19-L73 HydrophobicContact CG1-CD1 4.4Å; L22-L73 HydrophobicContact CB-CD1 4.32Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 VanDerWaalsContact O-CG 3.26Å; S69-L73 WeakPolarHBondContact O-CG 3.04Å; S69-L73 PolarHBondContact O-N 3.18Å; L70-L73 PolarHBondContact O-N 3.2Å; M71-L73 PolarHBondContact O-N 3.29Å; L73-M76 HydrophobicContact CD2-SD 4.42Å; L73-G77 PolarHBondContact O-N 2.98Å; L73-L86 HydrophobicContact CD2-CD1 3.84Å; L73-L86 HydrophobicContact CD2-CD2 4.06Å
74R89.4Confident87.7Confident133 Ų13345.2 Ų45.250%0.50224%0.235SC..Hα-helixtrans-63.2-49.4173.2-77.3-179.5-180178.91.9111.6L70 M71 L72 M76 G77 E78L70-R74 WeakPolarHBondContact O-CG 3.43Å; L70-R74 PolarHBondContact O-N 3.32Å; M71-R74 PolarHBondContact O-N 2.93Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 2.72Å; R74-M76 VanDerWaalsContact C-N 3.31Å; R74-M76 PolarHBondContact O-N 2.88Å; R74-G77 PolarHBondContact O-N 3.34Å; R74-G77 VanDerWaalsContact O-N 3.11Å; R74-E78 WeakPolarHBondContact O-CG 3.43Å; R74-E78 PolarHBondContact O-N 2.95Å
75L89.9Confident88.3Confident16 Ų1639.7 Ų39.78%0.08420%0.199CC..Hα-helixtrans-58.5-43.6177.1-72.2171.5000111.6D53 C57 M71 L72 G77 E78 R79D53-L75 HydrophobicContact CB-CD1 4.15Å; C57-L75 VanDerWaalsContact SG-CD1 3.59Å; M71-L75 HydrophobicContact CG-CD1 4.31Å; M71-L75 WeakPolarHBondContact O-CG 3.26Å; M71-L75 PolarHBondContact O-N 2.56Å; M71-L75 HydrophobicContact SD-CG 4.4Å; L72-L75 PolarHBondContact O-N 3.08Å; L75-G77 PolarHBondContact O-N 2.81Å; L75-E78 PolarHBondContact O-N 3.38Å; L75-R79 WeakPolarHBondContact O-CG 3.37Å; L75-R79 PolarHBondContact O-N 3.44Å; L75-R79 VanDerWaalsContact O-N 3.09Å
76M91.1Very high89Confident1 Ų130.8 Ų30.81%0.00516%0.157CC..Hα-helixtrans-60-45.3174.7-71.5171.86700111.5I11 V41 L72 L73 R74 R79 G80 C81 L86 Y89I11-M76 HydrophobicContact CD1-CB 4.24Å; I11-M76 HydrophobicContact CD1-CE 4.21Å; V41-M76 HydrophobicContact CG1-CE 4.37Å; V41-M76 HydrophobicContact CG1-CG 4.16Å; V41-M76 HydrophobicContact CG1-SD 4.48Å; V41-M76 HydrophobicContact CG2-CE 3.52Å; V41-M76 HydrophobicContact CG2-SD 3.89Å; L72-M76 HydrophobicContact CD1-CG 4.45Å; L72-M76 HydrophobicContact CD1-SD 4.41Å; L72-M76 HydrophobicContact CG-SD 4.02Å; L72-M76 WeakPolarHBondContact O-CB 3.43Å; L72-M76 WeakPolarHBondContact O-CG 3.42Å; L72-M76 PolarHBondContact O-N 3.25Å; L73-M76 HydrophobicContact CD2-SD 4.42Å; R74-M76 VanDerWaalsContact C-N 3.31Å; R74-M76 PolarHBondContact O-N 2.88Å; M76-R79 CarbonylContact O-C 3.59Å; M76-R79 PolarHBondContact O-N 3.37Å; M76-G80 PolarHBondContact O-N 3.49Å; M76-C81 HydrophobicContact CB-CB 4Å; M76-C81 WeakPolarHBondContact O-CB 3.45Å; M76-C81 PolarHBondContact O-N 2.7Å; M76-L86 HydrophobicContact CE-CD1 3.91Å; M76-Y89 HydrophobicContact CE-CD2 3.98Å; M76-Y89 HydrophobicContact CE-CE2 4.33Å
77G87.8Confident89.3Confident4 Ų431 Ų314%0.04115%0.154CC..Hα-helixtrans-68.4-37.4179.300000113.8N12 L73 R74 L75 R79 G80N12-G77 PolarHBondContact ND2-O 2.9Å; N12-G77 WeakPolarHBondContact OD1-CA 3.27Å; L73-G77 PolarHBondContact O-N 2.98Å; R74-G77 PolarHBondContact O-N 3.34Å; R74-G77 VanDerWaalsContact O-N 3.11Å; L75-G77 PolarHBondContact O-N 2.81Å; G77-R79 VanDerWaalsContact C-N 3.25Å; G77-R79 PolarHBondContact O-N 3.14Å; G77-G80 WeakPolarHBondContact O-CA 3.39Å; G77-G80 PolarHBondContact O-N 3Å
78E87.8Confident89.3Confident142 Ų14233.1 Ų33.166%0.66416%0.164SC*.Hα-helixtrans-60.4-36.9172.2-76.1175.5-177.400111.6N12 R74 L75 G80N12-E78 PolarHBondContact ND2-N 2.99Å; R74-E78 WeakPolarHBondContact O-CG 3.43Å; R74-E78 PolarHBondContact O-N 2.95Å; L75-E78 PolarHBondContact O-N 3.38Å; E78-G80 PolarHBondContact O-N 2.93Å
79R88.1Confident89.3Confident95 Ų9533.4 Ų33.436%0.35816%0.164SC..THydrogen-bonded Turntrans-77.46.6173.9-67-178.3176.7147.89.5113.6F47 K48 D53 L75 M76 G77F47-R79 HydrophobicContact CD1-CB 4.17Å; F47-R79 VanDerWaalsContact CD1-O 3.27Å; F47-R79 WeakPolarHBondContact CD1-O 3.45Å; F47-R79 VanDerWaalsContact CE1-O 3.22Å; F47-R79 WeakPolarHBondContact CE1-O 3.33Å; K48-R79 PolarHBondContact O-NH1 3.41Å; D53-R79 IonicContact OD1-NH2 3.26Å; D53-R79 IonicContact OD2-CZ 3.54Å; D53-R79 VanDerWaalsContact OD2-CZ 3.22Å; D53-R79 IonicContact OD2-NH1 2.77Å; D53-R79 PolarHBondContact OD2-NH1 3.33Å; D53-R79 IonicContact OD2-NH2 3.5Å; D53-R79 PolarHBondContact OD2-NH2 3.17Å; L75-R79 WeakPolarHBondContact O-CG 3.37Å; L75-R79 PolarHBondContact O-N 3.44Å; L75-R79 VanDerWaalsContact O-N 3.09Å; M76-R79 CarbonylContact O-C 3.59Å; M76-R79 PolarHBondContact O-N 3.37Å; G77-R79 VanDerWaalsContact C-N 3.25Å; G77-R79 PolarHBondContact O-N 3.14Å
80G85.7Confident89.2Confident28 Ų2833.4 Ų33.429%0.28916%0.164SC..THydrogen-bonded Turntrans82.615.4174.400000114.5M76 G77 E78 T82M76-G80 PolarHBondContact O-N 3.49Å; G77-G80 WeakPolarHBondContact O-CA 3.39Å; G77-G80 PolarHBondContact O-N 3Å; E78-G80 PolarHBondContact O-N 2.93Å; G80-T82 PolarHBondContact O-N 3.23Å
81C90Very high89.1Confident0 Ų036.3 Ų36.30%018%0.176CC..  trans-63.3136176.1-165.10000110.1I11 F47 M76 H85I11-C81 HydrophobicContact CD1-CB 3.65Å; I11-C81 VanDerWaalsContact CD1-SG 3.54Å; I11-C81 WeakPolarHBondContact CG1-O 3.32Å; I11-C81 PolarHBondContact N-O 2.95Å; I11-C81 VanDerWaalsContact N-O 3.08Å; F47-C81 HydrophobicContact CD1-CB 4.05Å; F47-C81 HydrophobicContact CE1-CB 4.1Å; F47-C81 HydrophobicContact CG-CB 4.34Å; F47-C81 HydrophobicContact CZ-CB 4.43Å; M76-C81 HydrophobicContact CB-CB 4Å; M76-C81 WeakPolarHBondContact O-CB 3.45Å; M76-C81 PolarHBondContact O-N 2.7Å; C81-H85 WeakPolarHBondContact SG-CB 3.28Å
82T89.8Confident89Confident24 Ų2440.1 Ų40.115%0.14720%0.201CC..BIsolated β-bridgetrans-106.1166.8-177.371.80000111.1R7 T9 G80 G84 H85 L86R7-T82 WeakPolarHBondContact O-CB 3.47Å; R7-T82 PolarHBondContact O-OG1 3.03Å; T9-T82 CarbonylContact O-C 3.12Å; T9-T82 VanDerWaalsContact O-CA 3.28Å; T9-T82 WeakPolarHBondContact O-CA 3.25Å; T9-T82 WeakPolarHBondContact O-CB 3.36Å; G80-T82 PolarHBondContact O-N 3.23Å; T82-G84 PolarHBondContact O-N 3.21Å; T82-H85 PolarHBondContact N-ND1 2.91Å; T82-H85 WeakPolarHBondContact O-CB 3.36Å; T82-H85 PolarHBondContact O-N 2.76Å; T82-H85 VanDerWaalsContact O-N 3.1Å; T82-H85 PolarHBondContact OG1-ND1 3.46Å; T82-L86 PolarHBondContact O-N 3.3Å
83M84.9Confident88.9Confident21 Ų2140.7 Ų40.710%0.10320%0.204CC..Hα-helixtrans-53.5-39174.3-84.2-67.4-78.500113.3E6 T9 L14 T87 L102E6-M83 WeakPolarHBondContact O-CB 3.36Å; T9-M83 HydrophobicContact CG2-CG 4.47Å; T9-M83 PolarHBondContact O-N 3.11Å; L14-M83 HydrophobicContact CD1-SD 3.51Å; L14-M83 VanDerWaalsContact CD1-SD 3.51Å; L14-M83 HydrophobicContact CD2-CE 3.59Å; L14-M83 HydrophobicContact CD2-CG 3.84Å; L14-M83 HydrophobicContact CD2-SD 3.15Å; L14-M83 WeakPolarHBondContact CD2-SD 3.43Å; L14-M83 HydrophobicContact CG-CG 4.27Å; L14-M83 HydrophobicContact CG-SD 3.65Å; M83-T87 WeakPolarHBondContact O-CB 3.17Å; M83-T87 PolarHBondContact O-N 3.02Å; M83-T87 PolarHBondContact O-OG1 3.33Å; M83-L102 HydrophobicContact CE-CB 3.96Å; M83-L102 HydrophobicContact CE-CD2 3.69Å; M83-L102 HydrophobicContact CE-CG 4.29Å; M83-L102 HydrophobicContact SD-CD2 3.77Å
84G85.1Confident88.7Confident5 Ų542.2 Ų42.25%0.05222%0.22CC..Hα-helixtrans-60.1-50.4173.900000112R7 T82 L86 T87 D88R7-G84 PolarHBondContact O-N 2.96Å; T82-G84 PolarHBondContact O-N 3.21Å; G84-L86 PolarHBondContact O-N 3.48Å; G84-T87 WeakPolarHBondContact O-CB 3.28Å; G84-T87 PolarHBondContact O-N 3.34Å; G84-D88 PolarHBondContact O-N 3.32Å
85H89.8Confident88.6Confident39 Ų3936.2 Ų36.218%0.18120%0.198CC..Hα-helixtrans-60.7-45.6178.2-61.4113.7000112.1R46 F47 C81 T82 T87 D88 Y89R46-H85 PolarHBondContact NH1-NE2 3.49Å; F47-H85 HydrophobicContact CE2-CB 4.44Å; F47-H85 AromaticContact CE2-CD2 3.83Å; F47-H85 AromaticContact CE2-CG 3.86Å; F47-H85 AromaticContact CE2-ND1 3.98Å; F47-H85 AromaticContact CE2-NE2 3.94Å; F47-H85 AromaticContact CZ-CE1 3.86Å; F47-H85 AromaticContact CZ-ND1 3.9Å; C81-H85 WeakPolarHBondContact SG-CB 3.28Å; T82-H85 PolarHBondContact N-ND1 2.91Å; T82-H85 WeakPolarHBondContact O-CB 3.36Å; T82-H85 PolarHBondContact O-N 2.76Å; T82-H85 VanDerWaalsContact O-N 3.1Å; T82-H85 PolarHBondContact OG1-ND1 3.46Å; H85-T87 VanDerWaalsContact C-N 3.32Å; H85-T87 PolarHBondContact O-N 3.29Å; H85-D88 PolarHBondContact O-N 3.09Å; H85-Y89 HydrophobicContact CB-CE2 4.04Å; H85-Y89 WeakPolarHBondContact O-CD2 3.34Å; H85-Y89 VanDerWaalsContact O-CG 3.3Å; H85-Y89 PolarHBondContact O-N 3.35Å
86L89.4Confident88.3Confident1 Ų139.2 Ų39.21%0.00522%0.221CC..Hα-helixtrans-60-42.6176.5-177.960.6000111.9I11 L14 L22 L37 L73 M76 T82 G84 D88 Y89 L90 L102I11-L86 HydrophobicContact CD1-CB 3.77Å; I11-L86 HydrophobicContact CD1-CD1 4.44Å; I11-L86 HydrophobicContact CD1-CD2 4.09Å; I11-L86 HydrophobicContact CD1-CG 4.31Å; I11-L86 HydrophobicContact CG1-CB 4.19Å; I11-L86 HydrophobicContact CG1-CD2 4.17Å; I11-L86 HydrophobicContact CG2-CD2 4.49Å; L14-L86 HydrophobicContact CD1-CD2 4.43Å; L22-L86 HydrophobicContact CD1-CD2 4.41Å; L37-L86 HydrophobicContact CD2-CD1 4.4Å; L73-L86 HydrophobicContact CD2-CD1 3.84Å; L73-L86 HydrophobicContact CD2-CD2 4.06Å; M76-L86 HydrophobicContact CE-CD1 3.91Å; T82-L86 PolarHBondContact O-N 3.3Å; G84-L86 PolarHBondContact O-N 3.48Å; L86-D88 VanDerWaalsContact C-N 3.34Å; L86-D88 PolarHBondContact O-N 3.43Å; L86-Y89 PolarHBondContact O-N 3.34Å; L86-L90 HydrophobicContact CD1-CD1 4.13Å; L86-L90 HydrophobicContact CD1-CG 4.17Å; L86-L90 HydrophobicContact CG-CD1 3.96Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.5Å; L86-L90 PolarHBondContact O-N 3.07Å; L86-L102 HydrophobicContact CD2-CD1 4.21Å; L86-L102 HydrophobicContact CD2-CD2 4.05Å; L86-L102 HydrophobicContact CG-CD1 4.14Å
87T88.7Confident88Confident28 Ų2844.1 Ų44.117%0.17225%0.247CC..Hα-helixtrans-60.2-45.1176.9-56.50000110.8M83 G84 H85 Y89 L90 Q91 L99M83-T87 WeakPolarHBondContact O-CB 3.17Å; M83-T87 PolarHBondContact O-N 3.02Å; M83-T87 PolarHBondContact O-OG1 3.33Å; G84-T87 WeakPolarHBondContact O-CB 3.28Å; G84-T87 PolarHBondContact O-N 3.34Å; H85-T87 VanDerWaalsContact C-N 3.32Å; H85-T87 PolarHBondContact O-N 3.29Å; T87-Y89 PolarHBondContact O-N 3.24Å; T87-L90 PolarHBondContact O-N 2.89Å; T87-Q91 WeakPolarHBondContact O-CG 3.47Å; T87-Q91 PolarHBondContact O-N 3.29Å; T87-L99 HydrophobicContact CG2-CD2 3.78Å; T87-L99 WeakPolarHBondContact O-CD2 3.37Å
88D89.9Confident87.9Confident63 Ų6344 Ų4434%0.33725%0.245SC..Hα-helixtrans-66.4-38.4-179.7-59.3-15.6000111.5R7 G84 H85 L86 Q91 T92R7-D88 IonicContact NH2-OD1 3.92Å; R7-D88 PolarHBondContact NH2-OD1 3.47Å; G84-D88 PolarHBondContact O-N 3.32Å; H85-D88 PolarHBondContact O-N 3.09Å; L86-D88 VanDerWaalsContact C-N 3.34Å; L86-D88 PolarHBondContact O-N 3.43Å; D88-Q91 PolarHBondContact O-N 2.93Å; D88-T92 PolarHBondContact O-N 3.48Å; D88-T92 PolarHBondContact O-OG1 3.2Å
89Y91.4Very high87.8Confident18 Ų1838.7 Ų38.77%0.07122%0.221CC..Hα-helixtrans-67.2-41.1174.5-61-41.6000112.7I40 V41 D44 F47 M76 H85 L86 T87 Q91 T92 L93I40-Y89 HydrophobicContact CG2-CD1 3.73Å; I40-Y89 HydrophobicContact CG2-CG 4.28Å; V41-Y89 HydrophobicContact CG2-CD2 3.69Å; V41-Y89 HydrophobicContact CG2-CE2 3.96Å; V41-Y89 HydrophobicContact CG2-CG 4.09Å; D44-Y89 HydrophobicContact CB-CE1 4.26Å; D44-Y89 WeakPolarHBondContact CB-OH 3.45Å; D44-Y89 PolarHBondContact OD2-OH 3.39Å; F47-Y89 WeakPolarHBondContact CD2-OH 3.4Å; M76-Y89 HydrophobicContact CE-CD2 3.98Å; M76-Y89 HydrophobicContact CE-CE2 4.33Å; H85-Y89 HydrophobicContact CB-CE2 4.04Å; H85-Y89 WeakPolarHBondContact O-CD2 3.34Å; H85-Y89 VanDerWaalsContact O-CG 3.3Å; H85-Y89 PolarHBondContact O-N 3.35Å; L86-Y89 PolarHBondContact O-N 3.34Å; T87-Y89 PolarHBondContact O-N 3.24Å; Y89-Q91 VanDerWaalsContact C-N 3.33Å; Y89-T92 WeakPolarHBondContact O-CB 3.34Å; Y89-T92 PolarHBondContact O-N 2.97Å; Y89-L93 WeakPolarHBondContact O-CB 3.34Å; Y89-L93 PolarHBondContact O-N 2.96Å
90L89.9Confident87.5Confident0 Ų039.8 Ų39.80%023%0.23CC..Hα-helixtrans-69.2-30.7176.9-68.9174.1000112.5L22 L26 L37 L86 T87 L93 G94 N95 A98 L99 L102L22-L90 HydrophobicContact CD2-CD1 4.2Å; L26-L90 HydrophobicContact CD2-CD2 3.99Å; L37-L90 HydrophobicContact CD1-CD2 4.09Å; L37-L90 HydrophobicContact CD2-CD2 4.15Å; L86-L90 HydrophobicContact CD1-CD1 4.13Å; L86-L90 HydrophobicContact CD1-CG 4.17Å; L86-L90 HydrophobicContact CG-CD1 3.96Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.5Å; L86-L90 PolarHBondContact O-N 3.07Å; T87-L90 PolarHBondContact O-N 2.89Å; L90-L93 HydrophobicContact CD2-CD2 4.06Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-G94 PolarHBondContact O-N 3.31Å; L90-G94 VanDerWaalsContact O-N 3.12Å; L90-N95 PolarHBondContact O-N 3.36Å; L90-N95 VanDerWaalsContact O-N 3.17Å; L90-A98 HydrophobicContact CD1-CB 3.97Å; L90-A98 HydrophobicContact CD2-CB 3.81Å; L90-A98 HydrophobicContact CG-CB 4.41Å; L90-L99 HydrophobicContact CB-CD2 3.64Å; L90-L99 HydrophobicContact CB-CG 3.89Å; L90-L102 HydrophobicContact CD1-CD1 3.66Å; L90-L102 HydrophobicContact CD1-CG 4.41Å
91Q89.3Confident87.3Confident113 Ų11339.7 Ų39.753%0.52823%0.225SC..Hα-helixtrans-64.9-45.4168.6-76.2175.12.200111.5T87 D88 Y89 L93 G94 L99T87-Q91 WeakPolarHBondContact O-CG 3.47Å; T87-Q91 PolarHBondContact O-N 3.29Å; D88-Q91 PolarHBondContact O-N 2.93Å; Y89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.87Å; Q91-G94 WeakPolarHBondContact O-CA 3.37Å; Q91-G94 PolarHBondContact O-N 3.22Å; Q91-L99 HydrophobicContact CB-CD1 4.37Å; Q91-L99 HydrophobicContact CG-CD1 3.61Å; Q91-L99 HydrophobicContact CG-CD2 3.81Å; Q91-L99 HydrophobicContact CG-CG 4.37Å
92T88.7Confident86.9Confident105 Ų10540.5 Ų40.564%0.64423%0.229SC*.Hα-helixtrans-62.3-37.5176.1-54.10000111.6I40 D88 Y89 G94I40-T92 HydrophobicContact CD1-CG2 4.37Å; I40-T92 HydrophobicContact CG2-CG2 4.31Å; D88-T92 PolarHBondContact O-N 3.48Å; D88-T92 PolarHBondContact O-OG1 3.2Å; Y89-T92 WeakPolarHBondContact O-CB 3.34Å; Y89-T92 PolarHBondContact O-N 2.97Å; T92-G94 PolarHBondContact O-N 3.44Å
93L89Confident86.1Confident14 Ų1445.5 Ų45.57%0.07325%0.249CC..THydrogen-bonded Turntrans-67.8-19.1173.1-172.961.7000112.8L26 K32 K36 L37 I40 Y89 L90 Q91 N95L26-L93 HydrophobicContact CD2-CD2 4.16Å; K32-L93 HydrophobicContact CB-CD1 4.29Å; K32-L93 HydrophobicContact CB-CG 4.17Å; K32-L93 WeakPolarHBondContact O-CD2 3.21Å; K36-L93 HydrophobicContact CB-CD1 3.74Å; K36-L93 HydrophobicContact CG-CD1 3.65Å; L37-L93 HydrophobicContact CB-CD2 4.13Å; L37-L93 HydrophobicContact CD1-CD2 4.43Å; I40-L93 HydrophobicContact CD1-CB 3.83Å; I40-L93 HydrophobicContact CD1-CD1 3.85Å; I40-L93 HydrophobicContact CD1-CG 4.43Å; Y89-L93 WeakPolarHBondContact O-CB 3.34Å; Y89-L93 PolarHBondContact O-N 2.96Å; L90-L93 HydrophobicContact CD2-CD2 4.06Å; L90-L93 PolarHBondContact O-N 3.42Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.87Å; L93-N95 VanDerWaalsContact C-N 3.27Å; L93-N95 HydrophobicContact CD2-CB 4.03Å; L93-N95 HydrophobicContact CG-CB 4.12Å; L93-N95 PolarHBondContact O-N 3.48Å
94G87.3Confident85.1Confident36 Ų3647.5 Ų47.537%0.37126%0.263SS..THydrogen-bonded Turntrans64.131.2-17600000113K32 L90 Q91 T92K32-G94 PolarHBondContact NZ-O 3.46Å; L90-G94 PolarHBondContact O-N 3.31Å; L90-G94 VanDerWaalsContact O-N 3.12Å; Q91-G94 WeakPolarHBondContact O-CA 3.37Å; Q91-G94 PolarHBondContact O-N 3.22Å; T92-G94 PolarHBondContact O-N 3.44Å
95N86.9Confident84.2Confident7 Ų751.1 Ų51.14%0.03729%0.286CS..  trans-97.288179-168-32.8000109.8K32 L90 L93 D97 A98 L99K32-N95 HydrophobicContact CB-CB 4.37Å; K32-N95 PolarHBondContact O-ND2 3.36Å; L90-N95 PolarHBondContact O-N 3.36Å; L90-N95 VanDerWaalsContact O-N 3.17Å; L93-N95 VanDerWaalsContact C-N 3.27Å; L93-N95 HydrophobicContact CD2-CB 4.03Å; L93-N95 HydrophobicContact CG-CB 4.12Å; L93-N95 PolarHBondContact O-N 3.48Å; N95-D97 VanDerWaalsContact C-N 3.26Å; N95-D97 PolarHBondContact O-N 3.17Å; N95-D97 PolarHBondContact OD1-N 3.18Å; N95-A98 HydrophobicContact CB-CB 4.12Å; N95-A98 PolarHBondContact O-N 3.17Å; N95-A98 WeakPolarHBondContact OD1-CB 3.44Å; N95-A98 PolarHBondContact OD1-N 3.34Å; N95-L99 WeakPolarHBondContact O-CG 3.15Å; N95-L99 PolarHBondContact O-N 3.3Å; N95-L99 VanDerWaalsContact O-N 3.14Å
96S83.9Confident83.3Confident79 Ų7951.7 Ų51.755%0.55230%0.297SS*.Hα-helixtrans-60.9-33.5-179.448.40000113.2L99 Q100S96-L99 PolarHBondContact O-N 3.12Å; S96-Q100 WeakPolarHBondContact O-CB 3.41Å; S96-Q100 PolarHBondContact O-N 3.07Å
97D83.6Confident83.1Confident105 Ų10551.9 Ų51.956%0.56130%0.299SS*.Hα-helixtrans-72.2-41.3-176.6-56.8-20.9000110.6V25 N95 Q100 C101V25-D97 HydrophobicContact CG1-CB 3.94Å; V25-D97 HydrophobicContact CG2-CB 4.46Å; N95-D97 VanDerWaalsContact C-N 3.26Å; N95-D97 PolarHBondContact O-N 3.17Å; N95-D97 PolarHBondContact OD1-N 3.18Å; D97-Q100 PolarHBondContact O-N 3.26Å; D97-C101 PolarHBondContact O-N 3.15Å; D97-C101 PolarHBondContact O-SG 3.39Å
98A86.1Confident82.9Confident0 Ų054.5 Ų54.50%031%0.309CS..Hα-helixtrans-65.8-39.2173.100000111.7L22 V25 L26 L90 N95 Q100 C101L22-A98 HydrophobicContact CD2-CB 4.11Å; L22-A98 WeakPolarHBondContact CD2-O 3.4Å; V25-A98 HydrophobicContact CG1-CB 4.07Å; L26-A98 HydrophobicContact CD2-CB 4.43Å; L90-A98 HydrophobicContact CD1-CB 3.97Å; L90-A98 HydrophobicContact CD2-CB 3.81Å; L90-A98 HydrophobicContact CG-CB 4.41Å; N95-A98 HydrophobicContact CB-CB 4.12Å; N95-A98 PolarHBondContact O-N 3.17Å; N95-A98 WeakPolarHBondContact OD1-CB 3.44Å; N95-A98 PolarHBondContact OD1-N 3.34Å; A98-Q100 VanDerWaalsContact C-N 3.32Å; A98-Q100 PolarHBondContact O-N 3.38Å; A98-C101 WeakPolarHBondContact O-CB 3.39Å; A98-C101 PolarHBondContact O-N 3.12Å
99L85.9Confident83Confident31 Ų3152.6 Ų52.616%0.16230%0.298CS..Hα-helixtrans-64-36.3174.9-74169.3000113T87 L90 Q91 N95 S96 C101 L102T87-L99 HydrophobicContact CG2-CD2 3.78Å; T87-L99 WeakPolarHBondContact O-CD2 3.37Å; L90-L99 HydrophobicContact CB-CD2 3.64Å; L90-L99 HydrophobicContact CB-CG 3.89Å; Q91-L99 HydrophobicContact CB-CD1 4.37Å; Q91-L99 HydrophobicContact CG-CD1 3.61Å; Q91-L99 HydrophobicContact CG-CD2 3.81Å; Q91-L99 HydrophobicContact CG-CG 4.37Å; N95-L99 WeakPolarHBondContact O-CG 3.15Å; N95-L99 PolarHBondContact O-N 3.3Å; N95-L99 VanDerWaalsContact O-N 3.14Å; S96-L99 PolarHBondContact O-N 3.12Å; L99-C101 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 3.38Å
100Q82Confident82.9Confident118 Ų11856.7 Ų56.755%0.55132%0.321SS*.Hα-helixtrans-65.9-28177.8-170.760.918.400111.9S96 D97 A98 L102S96-Q100 WeakPolarHBondContact O-CB 3.41Å; S96-Q100 PolarHBondContact O-N 3.07Å; D97-Q100 PolarHBondContact O-N 3.26Å; A98-Q100 VanDerWaalsContact C-N 3.32Å; A98-Q100 PolarHBondContact O-N 3.38Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.41Å
101C81.9Confident83Confident26 Ų2660.7 Ų60.718%0.17634%0.342CS..Hα-helixtrans-66.8-24.5175-61.30000113.4I18 K21 L22 D97 A98 L99I18-C101 WeakPolarHBondContact CG2-O 3.48Å; K21-C101 HydrophobicContact CB-CB 4.45Å; L22-C101 HydrophobicContact CD2-CB 3.69Å; L22-C101 HydrophobicContact CG-CB 3.89Å; D97-C101 PolarHBondContact O-N 3.15Å; D97-C101 PolarHBondContact O-SG 3.39Å; A98-C101 WeakPolarHBondContact O-CB 3.39Å; A98-C101 PolarHBondContact O-N 3.12Å; L99-C101 PolarHBondContact O-N 2.89Å
102L81.1Confident83.2Confident17 Ų1758.5 Ų58.59%0.08933%0.331CS..THydrogen-bonded Turntrans-88.8-13.5-175.9-63.1-178.4000114.4L14 I18 L22 M83 L86 L90 L99 Q100L14-L102 HydrophobicContact CD1-CD2 4.49Å; I18-L102 HydrophobicContact CG2-CD2 4.19Å; L22-L102 HydrophobicContact CD1-CD2 3.55Å; L22-L102 HydrophobicContact CD2-CD2 4.11Å; L22-L102 HydrophobicContact CD2-CG 4.24Å; L22-L102 HydrophobicContact CG-CD2 4.34Å; M83-L102 HydrophobicContact CE-CB 3.96Å; M83-L102 HydrophobicContact CE-CD2 3.69Å; M83-L102 HydrophobicContact CE-CG 4.29Å; M83-L102 HydrophobicContact SD-CD2 3.77Å; L86-L102 HydrophobicContact CD2-CD1 4.21Å; L86-L102 HydrophobicContact CD2-CD2 4.05Å; L86-L102 HydrophobicContact CG-CD1 4.14Å; L90-L102 HydrophobicContact CD1-CD1 3.66Å; L90-L102 HydrophobicContact CD1-CG 4.41Å; L99-L102 PolarHBondContact O-N 3.38Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.41Å
103K73.6Confident83.5Confident130 Ų13053.8 Ų53.857%0.56530%0.303SS*.SBendtrans-76.4138.7180-66.9179.5-172.6161.50110.5
104P64.3Low83.7Confident62 Ų6257.7 Ų57.740%0.40332%0.32SS..PPolyproline II helixtrans-60.8139.5174.623.6-31.8000110.1A106P104-A106 PolarHBondContact O-N 3.15Å
105P65.4Low84Confident81 Ų8157.3 Ų57.353%0.52631%0.312SS..PPolyproline II helixtrans-61.6139-179.426.2-33.2000109.9L107P105-L107 PolarHBondContact O-N 3.48Å; P105-L107 VanDerWaalsContact O-N 3.15Å
106A71.6Confident84.2Confident51 Ų5157 Ų5742%0.42131%0.311SS..SBendtrans-64.5-17.8-178.300000113.5P104 G132 A177P104-A106 PolarHBondContact O-N 3.15Å; A106-G132 WeakPolarHBondContact O-CA 3.49Å; A106-A177 HydrophobicContact CB-CB 4.19Å
107L84.1Confident84.6Confident6 Ų653.2 Ų53.23%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-140.6132.3-179.4173.158.6000108.5P105 A130 V172 C174 A177 E179P105-L107 PolarHBondContact O-N 3.48Å; P105-L107 VanDerWaalsContact O-N 3.15Å; L107-A130 HydrophobicContact CD1-CB 4.25Å; L107-V172 HydrophobicContact CD1-CG1 3.77Å; L107-V172 HydrophobicContact CD2-CB 4.31Å; L107-V172 HydrophobicContact CD2-CG1 4.18Å; L107-V172 VanDerWaalsContact CD2-O 3.22Å; L107-V172 WeakPolarHBondContact CD2-O 3.42Å; L107-V172 HydrophobicContact CG-CG1 4.49Å; L107-C174 HydrophobicContact CB-CB 4.31Å; L107-C174 HydrophobicContact CD1-CB 3.83Å; L107-C174 HydrophobicContact CD2-CB 4.28Å; L107-C174 HydrophobicContact CG-CB 4.37Å; L107-A177 HydrophobicContact CB-CB 3.97Å; L107-A177 HydrophobicContact CD2-CB 4.44Å; L107-E179 HydrophobicContact CB-CG 4.43Å; L107-E179 HydrophobicContact CD2-CB 3.68Å; L107-E179 HydrophobicContact CD2-CG 3.93Å; L107-E179 HydrophobicContact CG-CB 4.12Å; L107-E179 HydrophobicContact CG-CG 4.12Å
108Q85.4Confident85Confident82 Ų8248.3 Ų48.338%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-136.8127177-171.9-177-5.300111.2L110 A130 V131Q108-L110 HydrophobicContact CG-CD2 4.33Å; Q108-A130 CarbonylContact O-C 3.6Å; Q108-A130 VanDerWaalsContact O-CA 3.22Å; Q108-A130 WeakPolarHBondContact O-CA 3.5Å; Q108-A130 WeakPolarHBondContact O-CB 3.41Å; Q108-V131 PolarHBondContact N-O 3.23Å; Q108-V131 PolarHBondContact O-N 3.14Å
109I90.5Very high85.1Confident23 Ų2349.5 Ų49.512%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-82.7120.6170.9-55.5177.1000108.6I111 H129 A130 V172 E179 F180I109-I111 WeakPolarHBondContact CG2-O 3.22Å; I109-H129 CarbonylContact C-O 3.1Å; I109-A130 HydrophobicContact CB-CB 4.42Å; I109-A130 HydrophobicContact CG1-CB 4.05Å; I109-V172 HydrophobicContact CD1-CG2 3.94Å; I109-V172 HydrophobicContact CG1-CG2 4.12Å; I109-E179 HydrophobicContact CD1-CB 4.3Å; I109-F180 VanDerWaalsContact CD1-C 3.48Å
110L90.2Very high85.2Confident104 Ų10449.5 Ų49.555%0.54527%0.266SS..EExtended strand (participates in β ladder)trans-92.1-43.2-178.6-61.1-175000112.8Q108 H129 V131Q108-L110 HydrophobicContact CG-CD2 4.33Å; L110-H129 WeakPolarHBondContact CA-O 3.44Å; L110-H129 PolarHBondContact N-O 3.1Å; L110-V131 HydrophobicContact CD1-CB 4.4Å; L110-V131 HydrophobicContact CD1-CG2 3.46Å; L110-V131 VanDerWaalsContact CD1-CG2 3.46Å; L110-V131 HydrophobicContact CG-CG2 4.13Å
111I92.6Very high85.4Confident85 Ų8544.6 Ų44.644%0.43625%0.247SC..EExtended strand (participates in β ladder)trans-113.5119.3178-59.3178.3000107.4I109 C128 H129I109-I111 WeakPolarHBondContact CG2-O 3.22Å; I111-C128 VanDerWaalsContact O-CA 3.31Å; I111-C128 WeakPolarHBondContact O-CA 3.43Å; I111-H129 HydrophobicContact CB-CB 3.89Å; I111-H129 HydrophobicContact CD1-CB 4Å; I111-H129 HydrophobicContact CG1-CB 4.01Å; I111-H129 PolarHBondContact N-O 2.72Å; I111-H129 PolarHBondContact O-N 3.41Å; I111-H129 VanDerWaalsContact O-N 3.11Å
112Q93.3Very high85.6Confident66 Ų6645 Ų4531%0.30825%0.246SC..PPolyproline II helixtrans-89.2144.3173.9-64.6-67.3-12.500109.6Q114 S127 Q182Q112-Q114 PolarHBondContact O-N 3.23Å; Q112-S127 CarbonylContact C-O 3.48Å; Q112-Q182 HydrophobicContact CG-CG 4.32Å
113P95.3Very high86Confident7 Ų748.8 Ų48.85%0.04527%0.267CS..PPolyproline II helixtrans-66.8136.117528.9-34000110.9L126 S127 W140 Q182 A184P113-L126 HydrophobicContact CB-CB 4.35Å; P113-S127 VanDerWaalsContact CA-O 3.27Å; P113-S127 WeakPolarHBondContact CA-O 3.44Å; P113-W140 HydrophobicContact CB-CH2 3.84Å; P113-W140 HydrophobicContact CB-CZ3 4.04Å; P113-W140 HydrophobicContact CG-CH2 4.25Å; P113-W140 HydrophobicContact CG-CZ3 4.21Å; P113-Q182 WeakPolarHBondContact CG-O 3.37Å; P113-A184 HydrophobicContact CB-CB 3.68Å; P113-A184 HydrophobicContact CG-CB 3.93Å
114Q91.9Very high86.8Confident95 Ų9542.7 Ų42.744%0.44424%0.24SC..PPolyproline II helixtrans-95.7133.1-178.6-165.5178.710.800110.5Q112 L126 P235Q112-Q114 PolarHBondContact O-N 3.23Å; Q114-L126 WeakPolarHBondContact O-CD2 3.42Å; Q114-P235 HydrophobicContact CG-CB 4.44Å; Q114-P235 VanDerWaalsContact NE2-CG 3.28Å
115S93.5Very high88.2Confident29 Ų2945.9 Ų45.920%0.20324%0.244CC..PPolyproline II helixtrans-63.1142.7173.4-59.90000110.8Q185 P235 I236S115-Q185 CarbonylContact C-O 3.59Å; S115-Q185 WeakPolarHBondContact CA-O 3.5Å; S115-Q185 VanDerWaalsContact CB-O 3.28Å; S115-Q185 WeakPolarHBondContact CB-O 3.34Å; S115-Q185 PolarHBondContact OG-N 3.41Å; S115-P235 CarbonylContact O-C 3.57Å; S115-P235 WeakPolarHBondContact O-CA 3.41Å; S115-I236 VanDerWaalsContact CB-CG2 3.48Å; S115-I236 PolarHBondContact O-N 2.92Å
116V92.7Very high89.6Confident0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-144.8142.7-171.254.50000111.7L118 L124 L126 Q185 V186 D187 R234V116-L118 HydrophobicContact CG1-CD2 4.11Å; V116-L118 HydrophobicContact CG2-CD2 4Å; V116-L124 HydrophobicContact CG1-CD1 3.45Å; V116-L124 VanDerWaalsContact CG1-CD1 3.45Å; V116-L126 HydrophobicContact CG1-CD2 4.23Å; V116-Q185 PolarHBondContact N-O 3.39Å; V116-V186 HydrophobicContact CG1-CG2 4.12Å; V116-V186 WeakPolarHBondContact O-CA 3.44Å; V116-D187 PolarHBondContact O-N 3.04Å; V116-R234 HydrophobicContact CB-CG 3.89Å; V116-R234 HydrophobicContact CG2-CG 3.44Å; V116-R234 VanDerWaalsContact CG2-CG 3.44Å
117A92.2Very high90.7Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-111.8131.5164.500000110.4D187 L189 A231 V232 G233 I236 P237A117-D187 WeakPolarHBondContact CA-O 3.22Å; A117-D187 HydrophobicContact CB-CB 4.29Å; A117-L189 HydrophobicContact CB-CD1 4.08Å; A117-A231 WeakPolarHBondContact CB-O 3.3Å; A117-V232 WeakPolarHBondContact O-CA 3.43Å; A117-V232 WeakPolarHBondContact O-CB 3.49Å; A117-G233 PolarHBondContact N-O 2.86Å; A117-G233 PolarHBondContact O-N 3Å; A117-I236 HydrophobicContact CB-CG1 4.25Å; A117-P237 HydrophobicContact CB-CG 4.3Å
118L91.1Very high91.2Very high1 Ų140.7 Ų40.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-143.6162.6-178.562.3162.8000111.7V116 H122 L124 V160 V186 D187 V188 L189 I204V116-L118 HydrophobicContact CG1-CD2 4.11Å; V116-L118 HydrophobicContact CG2-CD2 4Å; L118-H122 HydrophobicContact CD1-CB 4.12Å; L118-L124 HydrophobicContact CD1-CB 4.11Å; L118-L124 HydrophobicContact CD2-CD1 4.08Å; L118-V160 HydrophobicContact CD1-CB 4.03Å; L118-V160 HydrophobicContact CD1-CG1 3.52Å; L118-V160 HydrophobicContact CD1-CG2 4.35Å; L118-V160 HydrophobicContact CG-CG1 3.98Å; L118-V186 HydrophobicContact CD2-CG1 3.92Å; L118-D187 PolarHBondContact N-O 2.94Å; L118-V188 CarbonylContact O-C 3.56Å; L118-V188 WeakPolarHBondContact O-CA 3.46Å; L118-L189 PolarHBondContact O-N 2.81Å; L118-I204 HydrophobicContact CB-CD1 3.65Å
119I88.4Confident91.7Very high26 Ų2639.8 Ų39.813%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-86.6142.9176.7-65.7156.3000109.5G121 H122 L189 V191 A211 V232I119-G121 PolarHBondContact O-N 2.91Å; I119-H122 VanDerWaalsContact O-CB 3.3Å; I119-H122 WeakPolarHBondContact O-CB 3.41Å; I119-H122 PolarHBondContact O-N 2.93Å; I119-H122 VanDerWaalsContact O-N 3.09Å; I119-H122 PolarHBondContact O-ND1 3.3Å; I119-H122 VanDerWaalsContact O-ND1 3.14Å; I119-L189 CarbonylContact C-O 3.53Å; I119-L189 WeakPolarHBondContact CA-O 3.43Å; I119-L189 HydrophobicContact CG1-CB 4.47Å; I119-V191 HydrophobicContact CG1-CG2 4.27Å; I119-A211 HydrophobicContact CD1-CB 4.32Å; I119-V232 HydrophobicContact CD1-CG1 4.17Å; I119-V232 HydrophobicContact CG1-CG1 3.76Å
120C88.6Confident91.7Very high31 Ų3139.2 Ų39.221%0.20920%0.202CC..THydrogen-bonded Turntrans-47.1136.3171.6-167.70000111V188 L189C120-V188 HydrophobicContact CB-CG1 4.13Å; C120-L189 PolarHBondContact N-O 3.07Å
121G86.1Confident91.7Very high14 Ų1438.4 Ų38.414%0.14420%0.201CC..THydrogen-bonded Turntrans93.9-18.7-174.100000115.2I119 P159 V160I119-G121 PolarHBondContact O-N 2.91Å; G121-P159 WeakPolarHBondContact O-CB 3.46Å; G121-V160 PolarHBondContact N-O 3.34Å
122H85.8Confident91.4Very high35 Ų3535.6 Ų35.616%0.16219%0.193CC..SBendtrans-80.5170177.2-71.668000112.8L118 I119 V160L118-H122 HydrophobicContact CD1-CB 4.12Å; I119-H122 VanDerWaalsContact O-CB 3.3Å; I119-H122 WeakPolarHBondContact O-CB 3.41Å; I119-H122 PolarHBondContact O-N 2.93Å; I119-H122 VanDerWaalsContact O-N 3.09Å; I119-H122 PolarHBondContact O-ND1 3.3Å; I119-H122 VanDerWaalsContact O-ND1 3.14Å; H122-V160 WeakPolarHBondContact O-CB 3.35Å; H122-V160 WeakPolarHBondContact O-CG1 3.16Å; H122-V160 PolarHBondContact O-N 2.78Å
123N89.1Confident90.8Very high97 Ų9740.6 Ų40.652%0.51921%0.213SC..PPolyproline II helixtrans-93.5121.3-178.6-58.6-1.1000110.7S158N123-S158 VanDerWaalsContact CG-OG 3.29Å; N123-S158 PolarHBondContact OD1-OG 2.85Å
124L91.1Very high90.2Very high1 Ų143 Ų431%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-86.7137.3170.3178.166.2000110V116 L118 L126 L156 I157 V160 V186V116-L124 HydrophobicContact CG1-CD1 3.45Å; V116-L124 VanDerWaalsContact CG1-CD1 3.45Å; L118-L124 HydrophobicContact CD1-CB 4.11Å; L118-L124 HydrophobicContact CD2-CD1 4.08Å; L124-L126 HydrophobicContact CD1-CD2 4.21Å; L124-L126 HydrophobicContact CD1-CG 4.24Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L124-L156 WeakPolarHBondContact O-CA 3.39Å; L124-I157 HydrophobicContact CB-CB 4.13Å; L124-I157 HydrophobicContact CD2-CB 4.31Å; L124-I157 HydrophobicContact CD2-CD1 3.92Å; L124-I157 HydrophobicContact CD2-CG1 4.18Å; L124-I157 PolarHBondContact N-O 3.37Å; L124-I157 PolarHBondContact O-N 3.49Å; L124-I157 VanDerWaalsContact O-N 3.09Å; L124-V160 HydrophobicContact CB-CB 4.49Å; L124-V160 HydrophobicContact CB-CG2 4.3Å; L124-V186 HydrophobicContact CD1-CG1 4.08Å; L124-V186 HydrophobicContact CD1-CG2 4.03Å; L124-V186 HydrophobicContact CD2-CG1 3.97Å; L124-V186 HydrophobicContact CD2-CG2 4Å
125R92.4Very high90.1Very high129 Ų12944.2 Ų44.249%0.48725%0.247SC..EExtended strand (participates in β ladder)trans-138.4116.5170.5-177.3177.7-175.9-160.72.3108.3E154 L155 L156 R234R125-E154 IonicContact CZ-OE1 2.69Å; R125-E154 VanDerWaalsContact CZ-OE1 3.23Å; R125-E154 IonicContact CZ-OE2 3.12Å; R125-E154 VanDerWaalsContact CZ-OE2 3.27Å; R125-E154 VanDerWaalsContact NE-CD 3.27Å; R125-E154 IonicContact NE-OE1 2.68Å; R125-E154 PolarHBondContact NE-OE1 3.11Å; R125-E154 VanDerWaalsContact NE-OE1 3.12Å; R125-E154 IonicContact NE-OE2 2.79Å; R125-E154 PolarHBondContact NE-OE2 2.87Å; R125-E154 IonicContact NH2-OE1 3.53Å; R125-E154 PolarHBondContact NH2-OE1 2.82Å; R125-E154 IonicContact NH2-OE2 2.69Å; R125-E154 PolarHBondContact NH2-OE2 2.93Å; R125-L155 WeakPolarHBondContact CA-O 3.2Å; R125-L156 HydrophobicContact CB-CD2 3.76Å; R125-L156 HydrophobicContact CG-CD2 3.67Å; R125-R234 PolarHBondContact O-NH1 3.34Å
126L94.8Very high90Very high1 Ų144.6 Ų44.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-109.8138.1168-61.1178.5000108.5P113 Q114 V116 L124 W140 E154 L155 Y168 A184 V186P113-L126 HydrophobicContact CB-CB 4.35Å; Q114-L126 WeakPolarHBondContact O-CD2 3.42Å; V116-L126 HydrophobicContact CG1-CD2 4.23Å; L124-L126 HydrophobicContact CD1-CD2 4.21Å; L124-L126 HydrophobicContact CD1-CG 4.24Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L126-W140 HydrophobicContact CB-CH2 3.66Å; L126-W140 HydrophobicContact CB-CZ2 4.39Å; L126-W140 HydrophobicContact CB-CZ3 3.9Å; L126-W140 HydrophobicContact CD1-CZ3 4.04Å; L126-E154 CarbonylContact O-C 3.58Å; L126-E154 VanDerWaalsContact O-CA 3.31Å; L126-E154 WeakPolarHBondContact O-CA 3.31Å; L126-L155 HydrophobicContact CB-CB 4.37Å; L126-L155 HydrophobicContact CD1-CD2 4.41Å; L126-L155 PolarHBondContact N-O 2.82Å; L126-L155 PolarHBondContact O-N 2.8Å; L126-Y168 HydrophobicContact CD1-CD1 4.29Å; L126-Y168 HydrophobicContact CD1-CD2 4.12Å; L126-Y168 HydrophobicContact CD1-CG 3.74Å; L126-A184 HydrophobicContact CD1-CB 4.46Å; L126-A184 HydrophobicContact CD2-CB 4.24Å; L126-V186 HydrophobicContact CD1-CG2 4Å; L126-V186 HydrophobicContact CD2-CG2 4.27Å
127S94.8Very high90.1Very high29 Ų2950.8 Ų50.820%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-123.1127.1-176.6-59.20000110Q112 P113 E154Q112-S127 CarbonylContact C-O 3.48Å; P113-S127 VanDerWaalsContact CA-O 3.27Å; P113-S127 WeakPolarHBondContact CA-O 3.44Å; S127-E154 PolarHBondContact OG-OE1 2.91Å
128C96.1Very high90.3Very high0 Ų052.2 Ų52.20%028%0.282CS..  trans-131.2110.6173.5178.60000108.4I111 Y138 W140 P153 C170I111-C128 VanDerWaalsContact O-CA 3.31Å; I111-C128 WeakPolarHBondContact O-CA 3.43Å; C128-Y138 WeakPolarHBondContact O-CE1 3.48Å; C128-W140 HydrophobicContact CB-CH2 3.72Å; C128-W140 HydrophobicContact CB-CZ2 3.59Å; C128-P153 PolarHBondContact N-O 3.11Å; C128-P153 VanDerWaalsContact O-CA 3.24Å; C128-P153 WeakPolarHBondContact O-CA 3.46Å; C128-P153 WeakPolarHBondContact O-CB 3.47Å; C128-C170 HydrophobicContact CB-CB 3.69Å
129H94.6Very high90.5Very high63 Ų6352.7 Ų52.729%0.29229%0.285SS..EExtended strand (participates in β ladder)trans-117.4132.5-179.3-66.773.2000109.8I109 L110 I111 E154I109-H129 CarbonylContact C-O 3.1Å; L110-H129 WeakPolarHBondContact CA-O 3.44Å; L110-H129 PolarHBondContact N-O 3.1Å; I111-H129 HydrophobicContact CB-CB 3.89Å; I111-H129 HydrophobicContact CD1-CB 4Å; I111-H129 HydrophobicContact CG1-CB 4.01Å; I111-H129 PolarHBondContact N-O 2.72Å; I111-H129 PolarHBondContact O-N 3.41Å; I111-H129 VanDerWaalsContact O-N 3.11Å; H129-E154 IonicContact CE1-OE1 2.78Å
130A92.1Very high91Very high11 Ų1151.5 Ų51.59%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-136.7157.8-178.700000111.9L107 Q108 I109 V136 Y138 V172L107-A130 HydrophobicContact CD1-CB 4.25Å; Q108-A130 CarbonylContact O-C 3.6Å; Q108-A130 VanDerWaalsContact O-CA 3.22Å; Q108-A130 WeakPolarHBondContact O-CA 3.5Å; Q108-A130 WeakPolarHBondContact O-CB 3.41Å; I109-A130 HydrophobicContact CB-CB 4.42Å; I109-A130 HydrophobicContact CG1-CB 4.05Å; A130-V136 HydrophobicContact CB-CG1 4.23Å; A130-Y138 HydrophobicContact CB-CE1 4.35Å; A130-Y138 PolarHBondContact N-OH 3.05Å; A130-Y138 VanDerWaalsContact N-OH 3.1Å; A130-Y138 PolarHBondContact O-OH 2.92Å; A130-V172 HydrophobicContact CB-CB 4.43Å; A130-V172 HydrophobicContact CB-CG1 3.61Å; A130-V172 HydrophobicContact CB-CG2 4.25Å
131V89.2Confident91.3Very high86 Ų8651.4 Ų51.452%0.52127%0.274SS..EExtended strand (participates in β ladder)trans-126.6138.4177.2178.30000108.5Q108 L110Q108-V131 PolarHBondContact N-O 3.23Å; Q108-V131 PolarHBondContact O-N 3.14Å; L110-V131 HydrophobicContact CD1-CB 4.4Å; L110-V131 HydrophobicContact CD1-CG2 3.46Å; L110-V131 VanDerWaalsContact CD1-CG2 3.46Å; L110-V131 HydrophobicContact CG-CG2 4.13Å
132G85.5Confident91.7Very high26 Ų2653.2 Ų53.227%0.26828%0.278SS..EExtended strand (participates in β ladder)trans-149.8170.1178.500000111.5A106 S134 C174A106-G132 WeakPolarHBondContact O-CA 3.49Å; G132-S134 PolarHBondContact O-N 3.08Å; G132-C174 VanDerWaalsContact CA-SG 3.58Å
133K80.8Confident91.7Very high171 Ų17154.7 Ų54.774%0.74329%0.292SS*.SBendtrans-74.7-7.8-178-64.7-178179.4179.50114.2C174K133-C174 PolarHBondContact N-SG 3.45Å; K133-C174 VanDerWaalsContact N-SG 3.41Å
134S84.4Confident91.5Very high59 Ų5961.5 Ų61.541%0.41331%0.311SS..SBendtrans-135.1167.6178.1-57.30000109.2G132 V136 C174G132-S134 PolarHBondContact O-N 3.08Å; S134-V136 PolarHBondContact O-N 3.02Å; S134-C174 PolarHBondContact N-SG 2.87Å; S134-C174 PolarHBondContact O-SG 2.8Å; S134-C174 VanDerWaalsContact O-SG 3.41Å
135P88.1Confident91.6Very high119 Ų11968.8 Ų68.877%0.77335%0.345SS*.  trans-53127.2177.4-27.435.9000111.7
136V92.9Very high91.7Very high38 Ų3867.7 Ų67.723%0.2335%0.345CS..  trans-86.6130.3-175.2-177.40000109.4A130 S134 Y138 V172 N173A130-V136 HydrophobicContact CB-CG1 4.23Å; S134-V136 PolarHBondContact O-N 3.02Å; V136-Y138 HydrophobicContact CB-CE2 4.32Å; V136-Y138 HydrophobicContact CG1-CE1 4.21Å; V136-Y138 HydrophobicContact CG1-CE2 3.83Å; V136-V172 HydrophobicContact CG1-CG1 3.19Å; V136-N173 WeakPolarHBondContact CA-O 3.5Å
137Q94.2Very high91.6Very high130 Ų13068.9 Ų68.961%0.60735%0.353SS*.EExtended strand (participates in β ladder)trans-112.2141176.5-64.6177.4-15.100110.1V172 N173Q137-V172 WeakPolarHBondContact O-CA 3.46Å; Q137-N173 HydrophobicContact CB-CB 4.4Å; Q137-N173 PolarHBondContact N-O 2.86Å; Q137-N173 PolarHBondContact O-N 3.04Å
138Y96.3Very high91.4Very high29 Ų2972.6 Ų72.611%0.11438%0.376CS..EExtended strand (participates in β ladder)trans-115148-178.9-58.4-92.4000110.3C128 A130 V136 F151 P153 R171 V172C128-Y138 WeakPolarHBondContact O-CE1 3.48Å; A130-Y138 HydrophobicContact CB-CE1 4.35Å; A130-Y138 PolarHBondContact N-OH 3.05Å; A130-Y138 VanDerWaalsContact N-OH 3.1Å; A130-Y138 PolarHBondContact O-OH 2.92Å; V136-Y138 HydrophobicContact CB-CE2 4.32Å; V136-Y138 HydrophobicContact CG1-CE1 4.21Å; V136-Y138 HydrophobicContact CG1-CE2 3.83Å; Y138-F151 WeakPolarHBondContact O-CA 3.15Å; Y138-P153 HydrophobicContact CD1-CB 4.43Å; Y138-P153 HydrophobicContact CD2-CB 4.44Å; Y138-P153 HydrophobicContact CE1-CB 4.07Å; Y138-P153 HydrophobicContact CE2-CB 4.09Å; Y138-P153 HydrophobicContact CE2-CG 4.44Å; Y138-R171 WeakPolarHBondContact CA-O 3.29Å; Y138-V172 HydrophobicContact CD1-CG1 4.5Å; Y138-V172 HydrophobicContact CD1-CG2 3.95Å; Y138-V172 HydrophobicContact CE1-CG1 4.24Å; Y138-V172 HydrophobicContact CE1-CG2 4.02Å
139Q96.3Very high91Very high12 Ų1279.4 Ų79.46%0.05641%0.412CS..EExtended strand (participates in β ladder)trans-147.6124.1167.2177.26153.900108.1F141 E146 V147 S150 R171Q139-F141 HydrophobicContact CB-CE2 3.99Å; Q139-F141 HydrophobicContact CG-CD2 4.23Å; Q139-F141 HydrophobicContact CG-CE2 3.49Å; Q139-F141 VanDerWaalsContact CG-CE2 3.49Å; Q139-F141 HydrophobicContact CG-CZ 3.79Å; Q139-F141 WeakPolarHBondContact O-CD2 3.44Å; Q139-E146 HydrophobicContact CG-CG 4.14Å; Q139-V147 PolarHBondContact NE2-O 3.11Å; Q139-V147 VanDerWaalsContact NE2-O 3.09Å; Q139-S150 WeakPolarHBondContact CA-O 3.24Å; Q139-S150 PolarHBondContact NE2-OG 2.9Å; Q139-R171 PolarHBondContact N-O 2.84Å; Q139-R171 PolarHBondContact O-N 2.95Å
140W97.6Very high90.8Very high0 Ų076.7 Ų76.70%040%0.4CS..EExtended strand (participates in β ladder)trans-89.7145.3174.9-6679.1000111.5P113 L126 C128 V147 S150 S152 L155 C170P113-W140 HydrophobicContact CB-CH2 3.84Å; P113-W140 HydrophobicContact CB-CZ3 4.04Å; P113-W140 HydrophobicContact CG-CH2 4.25Å; P113-W140 HydrophobicContact CG-CZ3 4.21Å; L126-W140 HydrophobicContact CB-CH2 3.66Å; L126-W140 HydrophobicContact CB-CZ2 4.39Å; L126-W140 HydrophobicContact CB-CZ3 3.9Å; L126-W140 HydrophobicContact CD1-CZ3 4.04Å; C128-W140 HydrophobicContact CB-CH2 3.72Å; C128-W140 HydrophobicContact CB-CZ2 3.59Å; W140-V147 HydrophobicContact CB-CB 4.31Å; W140-V147 HydrophobicContact CB-CG2 4.35Å; W140-V147 PolarHBondContact O-N 2.87Å; W140-S150 WeakPolarHBondContact CB-OG 3.26Å; W140-S150 PolarHBondContact N-O 3.26Å; W140-S150 PolarHBondContact N-OG 3.4Å; W140-S150 PolarHBondContact O-OG 3.4Å; W140-S152 PolarHBondContact NE1-O 2.92Å; W140-L155 HydrophobicContact CB-CD2 4.13Å; W140-L155 HydrophobicContact CD2-CB 3.76Å; W140-L155 HydrophobicContact CD2-CD2 4.09Å; W140-L155 HydrophobicContact CD2-CG 4.48Å; W140-L155 HydrophobicContact CE3-CB 4.28Å; W140-L155 HydrophobicContact CE3-CD2 4.12Å; W140-L155 HydrophobicContact CG-CB 3.98Å; W140-L155 HydrophobicContact CG-CD1 4.47Å; W140-L155 HydrophobicContact CG-CD2 4.12Å; W140-L155 HydrophobicContact CG-CG 4.42Å; W140-L155 HydrophobicContact CZ2-CB 4.15Å; W140-C170 HydrophobicContact CD2-CB 3.9Å; W140-C170 HydrophobicContact CE3-CB 3.87Å; W140-C170 HydrophobicContact CH2-CB 4.03Å; W140-C170 HydrophobicContact CZ2-CB 4.03Å; W140-C170 HydrophobicContact CZ3-CB 3.94Å
141F95.1Very high90.9Very high29 Ų2982.7 Ų82.713%0.12743%0.425CS..EExtended strand (participates in β ladder)trans-123.2138.5174.6-65.3-101.8000108.4Q139 E145 E146 Y168 I169 R171Q139-F141 HydrophobicContact CB-CE2 3.99Å; Q139-F141 HydrophobicContact CG-CD2 4.23Å; Q139-F141 HydrophobicContact CG-CE2 3.49Å; Q139-F141 VanDerWaalsContact CG-CE2 3.49Å; Q139-F141 HydrophobicContact CG-CZ 3.79Å; Q139-F141 WeakPolarHBondContact O-CD2 3.44Å; F141-E145 CarbonylContact C-O 3.6Å; F141-E145 VanDerWaalsContact CA-O 3.23Å; F141-E145 WeakPolarHBondContact CA-O 3.28Å; F141-E146 HydrophobicContact CD1-CG 3.74Å; F141-E146 HydrophobicContact CE1-CB 4.39Å; F141-E146 HydrophobicContact CE1-CG 3.18Å; F141-E146 HydrophobicContact CE2-CG 4.46Å; F141-E146 HydrophobicContact CZ-CG 3.58Å; F141-E146 WeakPolarHBondContact CZ-OE1 3.4Å; F141-Y168 VanDerWaalsContact O-CA 3.32Å; F141-Y168 WeakPolarHBondContact O-CA 3.21Å; F141-I169 HydrophobicContact CB-CG2 3.81Å; F141-I169 PolarHBondContact N-O 2.99Å; F141-I169 PolarHBondContact O-N 3.48Å; F141-R171 HydrophobicContact CD2-CB 4.25Å; F141-R171 HydrophobicContact CE2-CB 3.64Å
142K94.1Very high91.1Very high53 Ų5381.2 Ų81.223%0.2342%0.418CS..EExtended strand (participates in β ladder)trans-107.4115.1166.3-170.5-169.3-171.9-145.30107.2R144 E145 V147 K163 D164 A165 Y168K142-R144 PolarHBondContact O-N 3.38Å; K142-E145 PolarHBondContact N-O 3.2Å; K142-E145 PolarHBondContact O-N 2.97Å; K142-V147 HydrophobicContact CB-CG2 3.88Å; K142-K163 PolarHBondContact NZ-O 3.23Å; K142-D164 WeakPolarHBondContact CE-O 3.48Å; K142-A165 WeakPolarHBondContact CE-O 3.49Å; K142-A165 PolarHBondContact NZ-O 3.32Å; K142-Y168 HydrophobicContact CB-CD1 4.12Å; K142-Y168 HydrophobicContact CB-CE1 3.78Å; K142-Y168 HydrophobicContact CD-CE1 4.18Å; K142-Y168 HydrophobicContact CD-CE2 4.35Å; K142-Y168 WeakPolarHBondContact CD-OH 3.39Å; K142-Y168 WeakPolarHBondContact CE-OH 3.46Å; K142-Y168 HydrophobicContact CG-CD1 4.3Å; K142-Y168 HydrophobicContact CG-CE1 3.8Å; K142-Y168 HydrophobicContact CG-CE2 4.04Å
143S86.1Confident91.5Very high65 Ų6581.7 Ų81.746%0.45542%0.417SS..THydrogen-bonded Turntrans55-99.6-171.5-560000111.7F167 W183S143-F167 PolarHBondContact N-O 3.37Å; S143-W183 WeakPolarHBondContact O-CH2 3.45Å
144R86.1Confident92.2Very high241 Ų24175.6 Ų75.691%0.90939%0.391SS*.THydrogen-bonded Turntrans-116.90.9-179.6-65.4-175.2-179.9-123.71.1113.9K142K142-R144 PolarHBondContact O-N 3.38Å
145E93.1Very high92.7Very high154 Ų15473.3 Ų73.372%0.7237%0.374SS*.EExtended strand (participates in β ladder)trans-109.8142.5-174.6-65.3-179.5176.500110.7F141 K142 V147F141-E145 CarbonylContact C-O 3.6Å; F141-E145 VanDerWaalsContact CA-O 3.23Å; F141-E145 WeakPolarHBondContact CA-O 3.28Å; K142-E145 PolarHBondContact N-O 3.2Å; K142-E145 PolarHBondContact O-N 2.97Å; E145-V147 PolarHBondContact O-N 2.84Å
146E93.3Very high92.9Very high105 Ų10573.2 Ų73.249%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-68.5129.9173.1-75.3-173.5168.200109.7Q139 F141 P148 R171Q139-E146 HydrophobicContact CG-CG 4.14Å; F141-E146 HydrophobicContact CD1-CG 3.74Å; F141-E146 HydrophobicContact CE1-CB 4.39Å; F141-E146 HydrophobicContact CE1-CG 3.18Å; F141-E146 HydrophobicContact CE2-CG 4.46Å; F141-E146 HydrophobicContact CZ-CG 3.58Å; F141-E146 WeakPolarHBondContact CZ-OE1 3.4Å; E146-P148 WeakPolarHBondContact O-CD 3.31Å; E146-R171 IonicContact OE1-NH2 4Å
147V93.8Very high92.9Very high27 Ų2772.8 Ų72.816%0.16436%0.362CS..PPolyproline II helixtrans-75.4119.2169.7-1770000107.2Q139 W140 K142 E145 S150 L155 Y168Q139-V147 PolarHBondContact NE2-O 3.11Å; Q139-V147 VanDerWaalsContact NE2-O 3.09Å; W140-V147 HydrophobicContact CB-CB 4.31Å; W140-V147 HydrophobicContact CB-CG2 4.35Å; W140-V147 PolarHBondContact O-N 2.87Å; K142-V147 HydrophobicContact CB-CG2 3.88Å; E145-V147 PolarHBondContact O-N 2.84Å; V147-S150 WeakPolarHBondContact O-CB 3.27Å; V147-S150 PolarHBondContact O-N 3.37Å; V147-S150 PolarHBondContact O-OG 2.85Å; V147-L155 HydrophobicContact CG1-CD1 4.01Å; V147-Y168 HydrophobicContact CG2-CD1 4.46Å; V147-Y168 HydrophobicContact CG2-CE1 4.15Å
148P89.7Confident92.6Very high107 Ų10770.4 Ų70.470%0.69536%0.36SS*.THydrogen-bonded Turntrans-59143.5-177.6-23.333.6000111.4E146 S150E146-P148 WeakPolarHBondContact O-CD 3.31Å; P148-S150 PolarHBondContact O-N 2.89Å
149N87.9Confident92.2Very high142 Ų14272.5 Ų72.576%0.75938%0.377SS*.THydrogen-bonded Turntrans59.427.5175-53.6-44.3000115.1F151N149-F151 PolarHBondContact O-N 3.49Å
150S90.9Very high92Very high6 Ų672 Ų724%0.04238%0.375CS..  trans-101.655.9-17767.80000113.1Q139 W140 V147 P148Q139-S150 WeakPolarHBondContact CA-O 3.24Å; Q139-S150 PolarHBondContact NE2-OG 2.9Å; W140-S150 WeakPolarHBondContact CB-OG 3.26Å; W140-S150 PolarHBondContact N-O 3.26Å; W140-S150 PolarHBondContact N-OG 3.4Å; W140-S150 PolarHBondContact O-OG 3.4Å; V147-S150 WeakPolarHBondContact O-CB 3.27Å; V147-S150 PolarHBondContact O-N 3.37Å; V147-S150 PolarHBondContact O-OG 2.85Å; P148-S150 PolarHBondContact O-N 2.89Å
151F92.9Very high91.7Very high137 Ų13775.7 Ų75.760%0.60139%0.392SS*.  trans-91.23.5-175.9-49.9-65.8000114.7Y138 N149Y138-F151 WeakPolarHBondContact O-CA 3.15Å; N149-F151 PolarHBondContact O-N 3.49Å
152S93.4Very high91.5Very high55 Ų5578.4 Ų78.439%0.38541%0.408SS..SBendtrans-96.4152.6-176.6175.80000111.3W140 E154W140-S152 PolarHBondContact NE1-O 2.92Å; S152-E154 WeakPolarHBondContact CB-O 3.11Å; S152-E154 PolarHBondContact O-N 2.84Å; S152-E154 VanDerWaalsContact O-N 3.07Å; S152-E154 PolarHBondContact OG-N 2.9Å; S152-E154 VanDerWaalsContact OG-N 3.15Å; S152-E154 PolarHBondContact OG-O 2.96Å
153P93.9Very high91.4Very high36 Ų3683.7 Ų83.723%0.23443%0.431CS..SBendtrans-57.1-16.3165.925.2-36.3000113.1C128 Y138C128-P153 PolarHBondContact N-O 3.11Å; C128-P153 VanDerWaalsContact O-CA 3.24Å; C128-P153 WeakPolarHBondContact O-CA 3.46Å; C128-P153 WeakPolarHBondContact O-CB 3.47Å; Y138-P153 HydrophobicContact CD1-CB 4.43Å; Y138-P153 HydrophobicContact CD2-CB 4.44Å; Y138-P153 HydrophobicContact CE1-CB 4.07Å; Y138-P153 HydrophobicContact CE2-CB 4.09Å; Y138-P153 HydrophobicContact CE2-CG 4.44Å
154E95.1Very high91.7Very high44 Ų4481.8 Ų81.821%0.20642%0.415CS..EExtended strand (participates in β ladder)trans-116.6129176.9-51.8-155.7139.300112.3R125 L126 S127 H129 S152R125-E154 IonicContact CZ-OE1 2.69Å; R125-E154 VanDerWaalsContact CZ-OE1 3.23Å; R125-E154 IonicContact CZ-OE2 3.12Å; R125-E154 VanDerWaalsContact CZ-OE2 3.27Å; R125-E154 VanDerWaalsContact NE-CD 3.27Å; R125-E154 IonicContact NE-OE1 2.68Å; R125-E154 PolarHBondContact NE-OE1 3.11Å; R125-E154 VanDerWaalsContact NE-OE1 3.12Å; R125-E154 IonicContact NE-OE2 2.79Å; R125-E154 PolarHBondContact NE-OE2 2.87Å; R125-E154 IonicContact NH2-OE1 3.53Å; R125-E154 PolarHBondContact NH2-OE1 2.82Å; R125-E154 IonicContact NH2-OE2 2.69Å; R125-E154 PolarHBondContact NH2-OE2 2.93Å; L126-E154 CarbonylContact O-C 3.58Å; L126-E154 VanDerWaalsContact O-CA 3.31Å; L126-E154 WeakPolarHBondContact O-CA 3.31Å; S127-E154 PolarHBondContact OG-OE1 2.91Å; H129-E154 IonicContact CE1-OE1 2.78Å; S152-E154 WeakPolarHBondContact CB-O 3.11Å; S152-E154 PolarHBondContact O-N 2.84Å; S152-E154 VanDerWaalsContact O-N 3.07Å; S152-E154 PolarHBondContact OG-N 2.9Å; S152-E154 VanDerWaalsContact OG-N 3.15Å; S152-E154 PolarHBondContact OG-O 2.96Å
155L95Very high92.1Very high10 Ų1071.9 Ų71.95%0.05239%0.385CS..EExtended strand (participates in β ladder)trans-97.9117.7168.6-179.664.9000109.4R125 L126 W140 V147 I157 Y168R125-L155 WeakPolarHBondContact CA-O 3.2Å; L126-L155 HydrophobicContact CB-CB 4.37Å; L126-L155 HydrophobicContact CD1-CD2 4.41Å; L126-L155 PolarHBondContact N-O 2.82Å; L126-L155 PolarHBondContact O-N 2.8Å; W140-L155 HydrophobicContact CB-CD2 4.13Å; W140-L155 HydrophobicContact CD2-CB 3.76Å; W140-L155 HydrophobicContact CD2-CD2 4.09Å; W140-L155 HydrophobicContact CD2-CG 4.48Å; W140-L155 HydrophobicContact CE3-CB 4.28Å; W140-L155 HydrophobicContact CE3-CD2 4.12Å; W140-L155 HydrophobicContact CG-CB 3.98Å; W140-L155 HydrophobicContact CG-CD1 4.47Å; W140-L155 HydrophobicContact CG-CD2 4.12Å; W140-L155 HydrophobicContact CG-CG 4.42Å; W140-L155 HydrophobicContact CZ2-CB 4.15Å; V147-L155 HydrophobicContact CG1-CD1 4.01Å; L155-I157 HydrophobicContact CG-CG1 4.46Å; L155-Y168 HydrophobicContact CD2-CD1 3.48Å; L155-Y168 VanDerWaalsContact CD2-CD1 3.48Å; L155-Y168 HydrophobicContact CD2-CE1 3.61Å; L155-Y168 HydrophobicContact CD2-CG 4.46Å
156L92.9Very high92.1Very high117 Ų11765.4 Ų65.461%0.61336%0.359SS*.EExtended strand (participates in β ladder)trans-112.3124.8179.1-66.9169.5000109.9L124 R125L124-L156 WeakPolarHBondContact O-CA 3.39Å; R125-L156 HydrophobicContact CB-CD2 3.76Å; R125-L156 HydrophobicContact CG-CD2 3.67Å
157I92.3Very high92.2Very high29 Ų2965 Ų6515%0.14936%0.356CS..EExtended strand (participates in β ladder)trans-126.1118171.8-51.5-177.3000107.6L124 L155 D164 Y168L124-I157 HydrophobicContact CB-CB 4.13Å; L124-I157 HydrophobicContact CD2-CB 4.31Å; L124-I157 HydrophobicContact CD2-CD1 3.92Å; L124-I157 HydrophobicContact CD2-CG1 4.18Å; L124-I157 PolarHBondContact N-O 3.37Å; L124-I157 PolarHBondContact O-N 3.49Å; L124-I157 VanDerWaalsContact O-N 3.09Å; L155-I157 HydrophobicContact CG-CG1 4.46Å; I157-D164 HydrophobicContact CD1-CB 4.3Å; I157-Y168 HydrophobicContact CD1-CE1 4.4Å
158S88.2Confident92.3Very high80 Ų8063.9 Ų63.956%0.55935%0.349SS*.SBendtrans-151.3116-172.8172.10000110.1N123N123-S158 VanDerWaalsContact CG-OG 3.29Å; N123-S158 PolarHBondContact OD1-OG 2.85Å
159P88.8Confident92.6Very high74 Ų7459.5 Ų59.548%0.48132%0.319SS..SBendcis-76.8140.9-729.4-32000112.1G121G121-P159 WeakPolarHBondContact O-CB 3.46Å
160V91Very high93.1Very high0 Ų052.7 Ų52.70%028%0.283CS..  trans-64.9141.8172.382.40000110.6L118 G121 H122 L124 D164 V188L118-V160 HydrophobicContact CD1-CB 4.03Å; L118-V160 HydrophobicContact CD1-CG1 3.52Å; L118-V160 HydrophobicContact CD1-CG2 4.35Å; L118-V160 HydrophobicContact CG-CG1 3.98Å; G121-V160 PolarHBondContact N-O 3.34Å; H122-V160 WeakPolarHBondContact O-CB 3.35Å; H122-V160 WeakPolarHBondContact O-CG1 3.16Å; H122-V160 PolarHBondContact O-N 2.78Å; L124-V160 HydrophobicContact CB-CB 4.49Å; L124-V160 HydrophobicContact CB-CG2 4.3Å; V160-D164 HydrophobicContact CG2-CB 3.72Å; V160-V188 HydrophobicContact CG1-CG1 4.11Å; V160-V188 HydrophobicContact CG1-CG2 4.47Å; V160-V188 HydrophobicContact CG2-CG2 3.83Å
161Q92.4Very high93.3Very high78 Ų7855.5 Ų55.536%0.36429%0.293SS..  trans-118.6164176.2-61.3-60.2-46.600110.6K163 D164Q161-K163 HydrophobicContact CB-CG 3.98Å; Q161-K163 PolarHBondContact O-N 2.82Å; Q161-K163 VanDerWaalsContact O-N 3.17Å; Q161-D164 PolarHBondContact N-OD2 2.9Å; Q161-D164 WeakPolarHBondContact O-CB 3.32Å; Q161-D164 PolarHBondContact O-N 2.91Å
162L90.7Very high93.4Very high87 Ų8749 Ų4946%0.45526%0.264SS..G310 helixtrans-53.7-36.6175.9-80.1174.1000113.1D164 A165 V188 N190L162-D164 PolarHBondContact O-N 3.36Å; L162-A165 WeakPolarHBondContact O-CB 3.42Å; L162-A165 PolarHBondContact O-N 2.81Å; L162-V188 HydrophobicContact CD2-CB 4.4Å; L162-V188 HydrophobicContact CD2-CG1 4.26Å; L162-V188 WeakPolarHBondContact CD2-O 3.13Å; L162-N190 HydrophobicContact CD1-CB 3.97Å; L162-N190 HydrophobicContact CD2-CB 4.01Å; L162-N190 HydrophobicContact CG-CB 4.24Å
163K91.9Very high93.3Very high164 Ų16448.2 Ų48.271%0.71326%0.256SS*.G310 helixtrans-65.8-14.2177.469176.1-178.2-179.60113.7K142 Q161K142-K163 PolarHBondContact NZ-O 3.23Å; Q161-K163 HydrophobicContact CB-CG 3.98Å; Q161-K163 PolarHBondContact O-N 2.82Å; Q161-K163 VanDerWaalsContact O-N 3.17Å
164D93Very high93.1Very high25 Ų2546.9 Ų46.913%0.13425%0.247CC..G310 helixtrans-88.2-7.5179.3-55.2-41.2000111.7K142 I157 V160 Q161 L162 Y168K142-D164 WeakPolarHBondContact CE-O 3.48Å; I157-D164 HydrophobicContact CD1-CB 4.3Å; V160-D164 HydrophobicContact CG2-CB 3.72Å; Q161-D164 PolarHBondContact N-OD2 2.9Å; Q161-D164 WeakPolarHBondContact O-CB 3.32Å; Q161-D164 PolarHBondContact O-N 2.91Å; L162-D164 PolarHBondContact O-N 3.36Å; D164-Y168 WeakPolarHBondContact O-CE2 3.23Å; D164-Y168 PolarHBondContact O-OH 2.9Å
165A93.4Very high92.7Very high32 Ų3247.6 Ų47.626%0.26427%0.266SS..  trans-61.3142.3170.700000111.2K142 L162 V186 V188K142-A165 WeakPolarHBondContact CE-O 3.49Å; K142-A165 PolarHBondContact NZ-O 3.32Å; L162-A165 WeakPolarHBondContact O-CB 3.42Å; L162-A165 PolarHBondContact O-N 2.81Å; A165-V186 WeakPolarHBondContact CA-O 3.31Å; A165-V188 HydrophobicContact CB-CB 4.27Å; A165-V188 HydrophobicContact CB-CG2 4.05Å
166G93.4Very high91.9Very high18 Ų1855.6 Ų55.619%0.18631%0.309CS..EExtended strand (participates in β ladder)trans150.6-169.3-179.800000113.8V186G166-V186 PolarHBondContact N-O 3.01Å; G166-V186 PolarHBondContact O-N 2.99Å
167F95.4Very high91.4Very high97 Ų9751.2 Ų51.243%0.42529%0.29SS..EExtended strand (participates in β ladder)trans-100.5128.3179.1-65-86.3000110.1S143 W183 Q185S143-F167 PolarHBondContact N-O 3.37Å; F167-W183 HydrophobicContact CB-CD2 4.49Å; F167-W183 HydrophobicContact CB-CE3 3.6Å; F167-W183 HydrophobicContact CB-CZ3 3.96Å; F167-Q185 HydrophobicContact CD1-CB 3.94Å; F167-Q185 HydrophobicContact CD1-CG 4.2Å; F167-Q185 HydrophobicContact CE1-CB 3.74Å; F167-Q185 HydrophobicContact CE1-CG 3.76Å; F167-Q185 HydrophobicContact CZ-CG 4.09Å
168Y96.2Very high91.2Very high4 Ų452.9 Ų52.92%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-112.8139.3179-70.9-97.5000110.1L126 F141 K142 V147 L155 I157 D164 W183 A184 V186L126-Y168 HydrophobicContact CD1-CD1 4.29Å; L126-Y168 HydrophobicContact CD1-CD2 4.12Å; L126-Y168 HydrophobicContact CD1-CG 3.74Å; F141-Y168 VanDerWaalsContact O-CA 3.32Å; F141-Y168 WeakPolarHBondContact O-CA 3.21Å; K142-Y168 HydrophobicContact CB-CD1 4.12Å; K142-Y168 HydrophobicContact CB-CE1 3.78Å; K142-Y168 HydrophobicContact CD-CE1 4.18Å; K142-Y168 HydrophobicContact CD-CE2 4.35Å; K142-Y168 WeakPolarHBondContact CD-OH 3.39Å; K142-Y168 WeakPolarHBondContact CE-OH 3.46Å; K142-Y168 HydrophobicContact CG-CD1 4.3Å; K142-Y168 HydrophobicContact CG-CE1 3.8Å; K142-Y168 HydrophobicContact CG-CE2 4.04Å; V147-Y168 HydrophobicContact CG2-CD1 4.46Å; V147-Y168 HydrophobicContact CG2-CE1 4.15Å; L155-Y168 HydrophobicContact CD2-CD1 3.48Å; L155-Y168 VanDerWaalsContact CD2-CD1 3.48Å; L155-Y168 HydrophobicContact CD2-CE1 3.61Å; L155-Y168 HydrophobicContact CD2-CG 4.46Å; I157-Y168 HydrophobicContact CD1-CE1 4.4Å; D164-Y168 WeakPolarHBondContact O-CE2 3.23Å; D164-Y168 PolarHBondContact O-OH 2.9Å; Y168-W183 WeakPolarHBondContact O-CA 3.15Å; Y168-A184 PolarHBondContact N-O 2.73Å; Y168-A184 PolarHBondContact O-N 3.06Å; Y168-V186 HydrophobicContact CD2-CB 4.11Å; Y168-V186 HydrophobicContact CD2-CG2 3.56Å; Y168-V186 HydrophobicContact CE2-CB 3.94Å; Y168-V186 HydrophobicContact CE2-CG2 3.76Å
169I96.8Very high91.3Very high14 Ų1453.8 Ų53.87%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-136.7144.1172.6-166.1168.2000108.8F141 F180 S181 W183F141-I169 HydrophobicContact CB-CG2 3.81Å; F141-I169 PolarHBondContact N-O 2.99Å; F141-I169 PolarHBondContact O-N 3.48Å; I169-F180 HydrophobicContact CD1-CB 3.75Å; I169-F180 HydrophobicContact CD1-CD1 3.98Å; I169-F180 HydrophobicContact CD1-CG 4.25Å; I169-F180 HydrophobicContact CG1-CB 4.18Å; I169-F180 HydrophobicContact CG1-CD1 4.17Å; I169-S181 VanDerWaalsContact CD1-O 3.26Å; I169-S181 WeakPolarHBondContact CD1-O 3.34Å; I169-S181 VanDerWaalsContact CG1-O 3.28Å; I169-S181 WeakPolarHBondContact CG1-O 3.41Å; I169-W183 HydrophobicContact CB-CD2 3.91Å; I169-W183 HydrophobicContact CB-CE3 3.61Å; I169-W183 HydrophobicContact CB-CH2 3.95Å; I169-W183 HydrophobicContact CB-CZ2 4.21Å; I169-W183 HydrophobicContact CB-CZ3 3.65Å; I169-W183 HydrophobicContact CD1-CD2 4.01Å; I169-W183 HydrophobicContact CD1-CG 4.37Å; I169-W183 HydrophobicContact CD1-CH2 4.45Å; I169-W183 HydrophobicContact CD1-CZ2 3.88Å; I169-W183 HydrophobicContact CG1-CD2 4.42Å; I169-W183 HydrophobicContact CG2-CD2 4.47Å; I169-W183 HydrophobicContact CG2-CE3 4.01Å; I169-W183 HydrophobicContact CG2-CH2 3.42Å; I169-W183 VanDerWaalsContact CG2-CH2 3.42Å; I169-W183 HydrophobicContact CG2-CZ2 3.91Å; I169-W183 HydrophobicContact CG2-CZ3 3.48Å; I169-W183 VanDerWaalsContact CG2-CZ3 3.48Å
170C96.6Very high91.5Very high0 Ų055.1 Ų55.10%030%0.298CS..EExtended strand (participates in β ladder)trans-105.1124.3175.8-170.50000108.9C128 W140 F180 S181C128-C170 HydrophobicContact CB-CB 3.69Å; W140-C170 HydrophobicContact CD2-CB 3.9Å; W140-C170 HydrophobicContact CE3-CB 3.87Å; W140-C170 HydrophobicContact CH2-CB 4.03Å; W140-C170 HydrophobicContact CZ2-CB 4.03Å; W140-C170 HydrophobicContact CZ3-CB 3.94Å; C170-F180 CarbonylContact O-C 3.56Å; C170-F180 WeakPolarHBondContact O-CA 3.48Å; C170-S181 PolarHBondContact N-OG 2.83Å; C170-S181 PolarHBondContact O-N 2.88Å
171R95Very high91.7Very high65 Ų6555.5 Ų55.525%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-85.8130.8165.3-175-177.763.7-159.7-7.8108.2Y138 Q139 F141 E146 N173 F180Y138-R171 WeakPolarHBondContact CA-O 3.29Å; Q139-R171 PolarHBondContact N-O 2.84Å; Q139-R171 PolarHBondContact O-N 2.95Å; F141-R171 HydrophobicContact CD2-CB 4.25Å; F141-R171 HydrophobicContact CE2-CB 3.64Å; E146-R171 IonicContact OE1-NH2 4Å; R171-N173 PolarHBondContact NE-ND2 2.9Å; R171-F180 HydrophobicContact CB-CD1 3.89Å; R171-F180 HydrophobicContact CB-CE1 3.57Å; R171-F180 HydrophobicContact CB-CZ 4.12Å; R171-F180 HydrophobicContact CG-CD1 4.27Å; R171-F180 HydrophobicContact CG-CE1 3.81Å; R171-F180 HydrophobicContact CG-CE2 4.28Å; R171-F180 HydrophobicContact CG-CZ 3.8Å
172V95.6Very high91.7Very high0 Ų058 Ų580%031%0.311CS..EExtended strand (participates in β ladder)trans-117.7127176.6-172.10000108.7L107 I109 A130 V136 Q137 Y138 C178 E179L107-V172 HydrophobicContact CD1-CG1 3.77Å; L107-V172 HydrophobicContact CD2-CB 4.31Å; L107-V172 HydrophobicContact CD2-CG1 4.18Å; L107-V172 VanDerWaalsContact CD2-O 3.22Å; L107-V172 WeakPolarHBondContact CD2-O 3.42Å; L107-V172 HydrophobicContact CG-CG1 4.49Å; I109-V172 HydrophobicContact CD1-CG2 3.94Å; I109-V172 HydrophobicContact CG1-CG2 4.12Å; A130-V172 HydrophobicContact CB-CB 4.43Å; A130-V172 HydrophobicContact CB-CG1 3.61Å; A130-V172 HydrophobicContact CB-CG2 4.25Å; V136-V172 HydrophobicContact CG1-CG1 3.19Å; Q137-V172 WeakPolarHBondContact O-CA 3.46Å; Y138-V172 HydrophobicContact CD1-CG1 4.5Å; Y138-V172 HydrophobicContact CD1-CG2 3.95Å; Y138-V172 HydrophobicContact CE1-CG1 4.24Å; Y138-V172 HydrophobicContact CE1-CG2 4.02Å; V172-C178 WeakPolarHBondContact O-CA 3.39Å; V172-E179 PolarHBondContact N-O 2.84Å; V172-E179 PolarHBondContact O-N 2.9Å
173N91.9Very high91.9Very high38 Ų3860.1 Ų60.120%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-115.8142177-62.1-32000110.2V136 Q137 R171 A177 C178V136-N173 WeakPolarHBondContact CA-O 3.5Å; Q137-N173 HydrophobicContact CB-CB 4.4Å; Q137-N173 PolarHBondContact N-O 2.86Å; Q137-N173 PolarHBondContact O-N 3.04Å; R171-N173 PolarHBondContact NE-ND2 2.9Å; N173-A177 CarbonylContact C-O 3.49Å; N173-A177 WeakPolarHBondContact CA-O 3.28Å; N173-C178 PolarHBondContact OD1-SG 3.39Å
174C89.9Confident92Very high8 Ų852.3 Ų52.35%0.05428%0.28CS..EExtended strand (participates in β ladder)trans-145.994.4174.3171.40000109.4L107 G132 K133 S134 D176 A177L107-C174 HydrophobicContact CB-CB 4.31Å; L107-C174 HydrophobicContact CD1-CB 3.83Å; L107-C174 HydrophobicContact CD2-CB 4.28Å; L107-C174 HydrophobicContact CG-CB 4.37Å; G132-C174 VanDerWaalsContact CA-SG 3.58Å; K133-C174 PolarHBondContact N-SG 3.45Å; K133-C174 VanDerWaalsContact N-SG 3.41Å; S134-C174 PolarHBondContact N-SG 2.87Å; S134-C174 PolarHBondContact O-SG 2.8Å; S134-C174 VanDerWaalsContact O-SG 3.41Å; C174-D176 PolarHBondContact O-N 3.12Å; C174-A177 PolarHBondContact N-O 2.83Å; C174-A177 WeakPolarHBondContact O-CB 3.14Å; C174-A177 PolarHBondContact O-N 2.82Å; C174-A177 VanDerWaalsContact O-N 3.14Å
175G85.4Confident92.1Very high59 Ų5954.7 Ų54.761%0.60829%0.29SS*.THydrogen-bonded Turntrans62.1-125.6-170.600000110.6A177G175-A177 VanDerWaalsContact C-N 3.3Å
176D79.8Confident92.1Very high178 Ų17853.2 Ų53.295%0.95228%0.278SS*.THydrogen-bonded Turntrans-81.3-7.3177.3-57.6-36.2000113.6C174C174-D176 PolarHBondContact O-N 3.12Å
177A82.1Confident92.1Very high26 Ų2653.9 Ų53.922%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-88.7133.5179.600000111.3A106 L107 N173 C174 G175A106-A177 HydrophobicContact CB-CB 4.19Å; L107-A177 HydrophobicContact CB-CB 3.97Å; L107-A177 HydrophobicContact CD2-CB 4.44Å; N173-A177 CarbonylContact C-O 3.49Å; N173-A177 WeakPolarHBondContact CA-O 3.28Å; C174-A177 PolarHBondContact N-O 2.83Å; C174-A177 WeakPolarHBondContact O-CB 3.14Å; C174-A177 PolarHBondContact O-N 2.82Å; C174-A177 VanDerWaalsContact O-N 3.14Å; G175-A177 VanDerWaalsContact C-N 3.3Å
178C87.9Confident91.9Very high63 Ų6349.4 Ų49.443%0.42626%0.257SS..EExtended strand (participates in β ladder)trans-131.3127.7177.4175.30000109.1V172 N173V172-C178 WeakPolarHBondContact O-CA 3.39Å; N173-C178 PolarHBondContact OD1-SG 3.39Å
179E90.8Very high91.5Very high100 Ų10049.2 Ų49.247%0.46726%0.257SS..EExtended strand (participates in β ladder)trans-133.8148176.4-78.4-69.4172.600109.8L107 I109 V172L107-E179 HydrophobicContact CB-CG 4.43Å; L107-E179 HydrophobicContact CD2-CB 3.68Å; L107-E179 HydrophobicContact CD2-CG 3.93Å; L107-E179 HydrophobicContact CG-CB 4.12Å; L107-E179 HydrophobicContact CG-CG 4.12Å; I109-E179 HydrophobicContact CD1-CB 4.3Å; V172-E179 PolarHBondContact N-O 2.84Å; V172-E179 PolarHBondContact O-N 2.9Å
180F92.8Very high90.9Very high102 Ų10253.4 Ų53.445%0.44728%0.28SS..EExtended strand (participates in β ladder)trans-108.2141.2175.5-73.4-94.2000110.3I109 I169 C170 R171I109-F180 VanDerWaalsContact CD1-C 3.48Å; I169-F180 HydrophobicContact CD1-CB 3.75Å; I169-F180 HydrophobicContact CD1-CD1 3.98Å; I169-F180 HydrophobicContact CD1-CG 4.25Å; I169-F180 HydrophobicContact CG1-CB 4.18Å; I169-F180 HydrophobicContact CG1-CD1 4.17Å; C170-F180 CarbonylContact O-C 3.56Å; C170-F180 WeakPolarHBondContact O-CA 3.48Å; R171-F180 HydrophobicContact CB-CD1 3.89Å; R171-F180 HydrophobicContact CB-CE1 3.57Å; R171-F180 HydrophobicContact CB-CZ 4.12Å; R171-F180 HydrophobicContact CG-CD1 4.27Å; R171-F180 HydrophobicContact CG-CE1 3.81Å; R171-F180 HydrophobicContact CG-CE2 4.28Å; R171-F180 HydrophobicContact CG-CZ 3.8Å
181S95.3Very high90Very high7 Ų754.9 Ų54.95%0.04929%0.288CS..PPolyproline II helixtrans-64.4171.4171.178.10000111.1I169 C170I169-S181 VanDerWaalsContact CD1-O 3.26Å; I169-S181 WeakPolarHBondContact CD1-O 3.34Å; I169-S181 VanDerWaalsContact CG1-O 3.28Å; I169-S181 WeakPolarHBondContact CG1-O 3.41Å; C170-S181 PolarHBondContact N-OG 2.83Å; C170-S181 PolarHBondContact O-N 2.88Å
182Q92.3Very high88.5Confident130 Ų13058.7 Ų58.761%0.60732%0.319SS*.PPolyproline II helixtrans-65.7153.5162.2-66.3-179.9-4.500109.9Q112 P113 A184Q112-Q182 HydrophobicContact CG-CG 4.32Å; P113-Q182 WeakPolarHBondContact CG-O 3.37Å; Q182-A184 PolarHBondContact O-N 3.42Å
183W94Very high86.3Confident133 Ų13362.8 Ų62.850%0.50434%0.339SS..PPolyproline II helixtrans-69.3128.5172.3-71.398.7000110.2S143 F167 Y168 I169S143-W183 WeakPolarHBondContact O-CH2 3.45Å; F167-W183 HydrophobicContact CB-CD2 4.49Å; F167-W183 HydrophobicContact CB-CE3 3.6Å; F167-W183 HydrophobicContact CB-CZ3 3.96Å; Y168-W183 WeakPolarHBondContact O-CA 3.15Å; I169-W183 HydrophobicContact CB-CD2 3.91Å; I169-W183 HydrophobicContact CB-CE3 3.61Å; I169-W183 HydrophobicContact CB-CH2 3.95Å; I169-W183 HydrophobicContact CB-CZ2 4.21Å; I169-W183 HydrophobicContact CB-CZ3 3.65Å; I169-W183 HydrophobicContact CD1-CD2 4.01Å; I169-W183 HydrophobicContact CD1-CG 4.37Å; I169-W183 HydrophobicContact CD1-CH2 4.45Å; I169-W183 HydrophobicContact CD1-CZ2 3.88Å; I169-W183 HydrophobicContact CG1-CD2 4.42Å; I169-W183 HydrophobicContact CG2-CD2 4.47Å; I169-W183 HydrophobicContact CG2-CE3 4.01Å; I169-W183 HydrophobicContact CG2-CH2 3.42Å; I169-W183 VanDerWaalsContact CG2-CH2 3.42Å; I169-W183 HydrophobicContact CG2-CZ2 3.91Å; I169-W183 HydrophobicContact CG2-CZ3 3.48Å; I169-W183 VanDerWaalsContact CG2-CZ3 3.48Å
184A94.9Very high83.7Confident0 Ų066.6 Ų66.60%037%0.369CS..EExtended strand (participates in β ladder)trans-105.8123.2168.600000109.7P113 L126 Y168 Q182P113-A184 HydrophobicContact CB-CB 3.68Å; P113-A184 HydrophobicContact CG-CB 3.93Å; L126-A184 HydrophobicContact CD1-CB 4.46Å; L126-A184 HydrophobicContact CD2-CB 4.24Å; Y168-A184 PolarHBondContact N-O 2.73Å; Y168-A184 PolarHBondContact O-N 3.06Å; Q182-A184 PolarHBondContact O-N 3.42Å
185Q94.6Very high81.4Confident74 Ų7473.1 Ų73.135%0.34639%0.393SS..EExtended strand (participates in β ladder)trans-85129.1173.3-172.8178.5-7.400109.9S115 V116 F167 I236S115-Q185 CarbonylContact C-O 3.59Å; S115-Q185 WeakPolarHBondContact CA-O 3.5Å; S115-Q185 VanDerWaalsContact CB-O 3.28Å; S115-Q185 WeakPolarHBondContact CB-O 3.34Å; S115-Q185 PolarHBondContact OG-N 3.41Å; V116-Q185 PolarHBondContact N-O 3.39Å; F167-Q185 HydrophobicContact CD1-CB 3.94Å; F167-Q185 HydrophobicContact CD1-CG 4.2Å; F167-Q185 HydrophobicContact CE1-CB 3.74Å; F167-Q185 HydrophobicContact CE1-CG 3.76Å; F167-Q185 HydrophobicContact CZ-CG 4.09Å; Q185-I236 HydrophobicContact CB-CD1 4.18Å; Q185-I236 HydrophobicContact CG-CD1 3.84Å
186V94.2Very high78.8Confident2 Ų274.2 Ų74.21%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-109.7118.8171.3178.80000107.9V116 L118 L124 L126 A165 G166 Y168 V188V116-V186 HydrophobicContact CG1-CG2 4.12Å; V116-V186 WeakPolarHBondContact O-CA 3.44Å; L118-V186 HydrophobicContact CD2-CG1 3.92Å; L124-V186 HydrophobicContact CD1-CG1 4.08Å; L124-V186 HydrophobicContact CD1-CG2 4.03Å; L124-V186 HydrophobicContact CD2-CG1 3.97Å; L124-V186 HydrophobicContact CD2-CG2 4Å; L126-V186 HydrophobicContact CD1-CG2 4Å; L126-V186 HydrophobicContact CD2-CG2 4.27Å; A165-V186 WeakPolarHBondContact CA-O 3.31Å; G166-V186 PolarHBondContact N-O 3.01Å; G166-V186 PolarHBondContact O-N 2.99Å; Y168-V186 HydrophobicContact CD2-CB 4.11Å; Y168-V186 HydrophobicContact CD2-CG2 3.56Å; Y168-V186 HydrophobicContact CE2-CB 3.94Å; Y168-V186 HydrophobicContact CE2-CG2 3.76Å; V186-V188 HydrophobicContact CG1-CG2 4.15Å
187D91.8Very high76.6Confident32 Ų3272.2 Ų72.217%0.17139%0.394CS..EExtended strand (participates in β ladder)trans-108.9135.5171.3-167.219.1000110V116 A117 L118 I236V116-D187 PolarHBondContact O-N 3.04Å; A117-D187 WeakPolarHBondContact CA-O 3.22Å; A117-D187 HydrophobicContact CB-CB 4.29Å; L118-D187 PolarHBondContact N-O 2.94Å; D187-I236 HydrophobicContact CB-CD1 3.92Å
188V91.7Very high74.5Confident2 Ų274.8 Ų74.81%0.01242%0.422CS..EExtended strand (participates in β ladder)trans-121.1117.5-176.5-1750000108.6L118 C120 V160 L162 A165 V186L118-V188 CarbonylContact O-C 3.56Å; L118-V188 WeakPolarHBondContact O-CA 3.46Å; C120-V188 HydrophobicContact CB-CG1 4.13Å; V160-V188 HydrophobicContact CG1-CG1 4.11Å; V160-V188 HydrophobicContact CG1-CG2 4.47Å; V160-V188 HydrophobicContact CG2-CG2 3.83Å; L162-V188 HydrophobicContact CD2-CB 4.4Å; L162-V188 HydrophobicContact CD2-CG1 4.26Å; L162-V188 WeakPolarHBondContact CD2-O 3.13Å; A165-V188 HydrophobicContact CB-CB 4.27Å; A165-V188 HydrophobicContact CB-CG2 4.05Å; V186-V188 HydrophobicContact CG1-CG2 4.15Å
189L88.1Confident72.3Confident0 Ų079.8 Ų79.80%044%0.439CS..EExtended strand (participates in β ladder)trans-90133.4177.7-66.986.4000109.6A117 L118 I119 C120 V191 A211 I212 V232A117-L189 HydrophobicContact CB-CD1 4.08Å; L118-L189 PolarHBondContact O-N 2.81Å; I119-L189 CarbonylContact C-O 3.53Å; I119-L189 WeakPolarHBondContact CA-O 3.43Å; I119-L189 HydrophobicContact CG1-CB 4.47Å; C120-L189 PolarHBondContact N-O 3.07Å; L189-V191 HydrophobicContact CB-CG2 4.31Å; L189-A211 HydrophobicContact CD2-CB 4.45Å; L189-I212 HydrophobicContact CD2-CD1 4.13Å; L189-V232 HydrophobicContact CD1-CG1 4.2Å
190N85.1Confident69.8Low103 Ų10379 Ų7955%0.55144%0.444SS*.  trans-98.5111.2168.8-165.918.7000108.3L162L162-N190 HydrophobicContact CD1-CB 3.97Å; L162-N190 HydrophobicContact CD2-CB 4.01Å; L162-N190 HydrophobicContact CG-CB 4.24Å
191V77.6Confident67.6Low30 Ų3082 Ų8218%0.18245%0.454CS..  trans-121.1118.3178.6-1730000107.2I119 L189 M193 A211 I212I119-V191 HydrophobicContact CG1-CG2 4.27Å; L189-V191 HydrophobicContact CB-CG2 4.31Å; V191-M193 VanDerWaalsContact C-N 3.29Å; V191-M193 HydrophobicContact CB-CG 4.23Å; V191-M193 HydrophobicContact CG1-CE 4.34Å; V191-M193 HydrophobicContact CG1-CG 3.91Å; V191-M193 HydrophobicContact CG1-SD 4.3Å; V191-M193 PolarHBondContact O-N 2.91Å; V191-A211 HydrophobicContact CG2-CB 4.47Å; V191-I212 HydrophobicContact CG2-CD1 4.15Å; V191-I212 HydrophobicContact CG2-CG1 3.98Å
192T62.8Low65.1Low146 Ų14689.1 Ų89.190%0.89649%0.487SS*.  trans-70.988.4169.460000107.8S194T192-S194 PolarHBondContact O-N 3.03Å
193M49.2Very low63.2Low85 Ų8588 Ų8842%0.41949%0.493SS..  trans-81.3121.2179.4-67.4-10459.100110.1V191 Y195V191-M193 VanDerWaalsContact C-N 3.29Å; V191-M193 HydrophobicContact CB-CG 4.23Å; V191-M193 HydrophobicContact CG1-CE 4.34Å; V191-M193 HydrophobicContact CG1-CG 3.91Å; V191-M193 HydrophobicContact CG1-SD 4.3Å; V191-M193 PolarHBondContact O-N 2.91Å; M193-Y195 VanDerWaalsContact C-N 3.27Å; M193-Y195 HydrophobicContact CB-CD2 3.23Å; M193-Y195 HydrophobicContact CB-CE2 3.18Å; M193-Y195 HydrophobicContact CB-CG 4.22Å; M193-Y195 HydrophobicContact CG-CD2 4.01Å; M193-Y195 HydrophobicContact CG-CE2 3.39Å; M193-Y195 PolarHBondContact O-N 2.99Å; M193-Y195 HydrophobicContact SD-CD2 4.35Å; M193-Y195 HydrophobicContact SD-CE1 4.45Å; M193-Y195 HydrophobicContact SD-CE2 3.37Å; M193-Y195 WeakPolarHBondContact SD-CE2 3.33Å; M193-Y195 PolarHBondContact SD-OH 3.46Å
194S37.5Very low61.4Low118 Ų11883.1 Ų83.183%0.82548%0.477SS*.  trans-73.781.816155.60000108.9T192T192-S194 PolarHBondContact O-N 3.03Å
195Y41.4Very low59.8Low145 Ų14588.4 Ų88.457%0.56951%0.505SS*.PPolyproline II helixtrans-91.4131172-80.3-66.9000111M193M193-Y195 VanDerWaalsContact C-N 3.27Å; M193-Y195 HydrophobicContact CB-CD2 3.23Å; M193-Y195 HydrophobicContact CB-CE2 3.18Å; M193-Y195 HydrophobicContact CB-CG 4.22Å; M193-Y195 HydrophobicContact CG-CD2 4.01Å; M193-Y195 HydrophobicContact CG-CE2 3.39Å; M193-Y195 PolarHBondContact O-N 2.99Å; M193-Y195 HydrophobicContact SD-CD2 4.35Å; M193-Y195 HydrophobicContact SD-CE1 4.45Å; M193-Y195 HydrophobicContact SD-CE2 3.37Å; M193-Y195 WeakPolarHBondContact SD-CE2 3.33Å; M193-Y195 PolarHBondContact SD-OH 3.46Å
196A31.7Very low58.5Low82 Ų8286 Ų8668%0.67850%0.5SS*.PPolyproline II helixtrans-58.1138.5150.700000108.9G198A196-G198 PolarHBondContact O-N 3.07Å
197P31.9Very low57.9Low137 Ų13793 Ų9389%0.8953%0.526SS*.THydrogen-bonded Turntrans-67119-17525.1-30.3000110.4
198G39.4Very low57.7Low79 Ų7992 Ų9281%0.81452%0.52SS*.THydrogen-bonded Turntrans147.7-9.4168.600000118.7A196 S200A196-G198 PolarHBondContact O-N 3.07Å; G198-S200 PolarHBondContact O-N 3.45Å
199Q40.2Very low57.4Low169 Ų16997.4 Ų97.479%0.7954%0.544SS*.  trans-90.2110.7176.8-66.7-159.811.300111.7
200S39.7Very low57.4Low82 Ų8299.2 Ų99.257%0.57355%0.554SS**  trans-62.9146.4176.759.70000112.5G198 Q202G198-S200 PolarHBondContact O-N 3.45Å; S200-Q202 PolarHBondContact O-N 3.45Å
201Y45.1Very low57.5Low167 Ų16795.9 Ų95.966%0.65554%0.54SS*.  trans-56.375.8169.7-56.8-87.9000112.3S203Y201-S203 PolarHBondContact O-N 2.91Å
202Q44Very low57.9Low155 Ų15596 Ų9672%0.72454%0.539SS*.  trans-73.3128.1174.3-72.3-173.6-10.800108.6S200 I204S200-Q202 PolarHBondContact O-N 3.45Å; Q202-I204 PolarHBondContact O-N 2.97Å
203S52.4Low59.1Low107 Ų10793.7 Ų93.775%0.74852%0.518SS*.  trans-49.6131.917963.90000110.5Y201 D205Y201-S203 PolarHBondContact O-N 2.91Å; S203-D205 PolarHBondContact O-N 3.04Å
204I56.7Low61.1Low30 Ų3089.8 Ų89.815%0.15450%0.499CS..  trans-56.9113.1170.5-61.2161.5000107.1L118 Q202 G206 V232L118-I204 HydrophobicContact CB-CD1 3.65Å; Q202-I204 PolarHBondContact O-N 2.97Å; I204-G206 PolarHBondContact O-N 2.85Å; I204-V232 HydrophobicContact CD1-CB 4.11Å; I204-V232 HydrophobicContact CD1-CG1 4.47Å; I204-V232 HydrophobicContact CD1-CG2 4.34Å
205D60.6Low63.6Low111 Ų11191.4 Ų91.459%0.59449%0.494SS*.  trans-64.128177.6-175.138.6000113.2S203 R207S203-D205 PolarHBondContact O-N 3.04Å; D205-R207 PolarHBondContact O-N 3.16Å; D205-R207 IonicContact OD2-CZ 3.89Å; D205-R207 IonicContact OD2-NE 2.68Å; D205-R207 PolarHBondContact OD2-NE 2.91Å; D205-R207 VanDerWaalsContact OD2-NE 3.12Å; D205-R207 IonicContact OD2-NH2 3.16Å
206G68.2Low65.8Low23 Ų2387.9 Ų87.924%0.23749%0.49CS..SBendtrans68.6-19-174.500000115.9I204 R234I204-G206 PolarHBondContact O-N 2.85Å; G206-R234 PolarHBondContact O-N 2.73Å; G206-R234 VanDerWaalsContact O-O 3.13Å
207R81.1Confident68.4Low149 Ų14986.3 Ų86.356%0.56247%0.469SS*.  trans-64.8149.4-177.4-58.6-171-168.6-150-5113.8D205 K209D205-R207 PolarHBondContact O-N 3.16Å; D205-R207 IonicContact OD2-CZ 3.89Å; D205-R207 IonicContact OD2-NE 2.68Å; D205-R207 PolarHBondContact OD2-NE 2.91Å; D205-R207 VanDerWaalsContact OD2-NE 3.12Å; D205-R207 IonicContact OD2-NH2 3.16Å; R207-K209 PolarHBondContact O-N 2.85Å
208L86.4Confident70.9Confident11 Ų1186.8 Ų86.86%0.05845%0.453CS..  trans-68.7125.4173.7-173.163.9000109.4A231 V232 P237 I273 E278 M280L208-A231 HydrophobicContact CD1-CB 3.99Å; L208-V232 WeakPolarHBondContact CA-O 3.47Å; L208-P237 HydrophobicContact CD1-CB 3.74Å; L208-P237 HydrophobicContact CD1-CG 3.51Å; L208-I273 HydrophobicContact CD1-CG2 3.96Å; L208-I273 HydrophobicContact CD2-CG2 4.17Å; L208-E278 HydrophobicContact CB-CB 4.22Å; L208-E278 WeakPolarHBondContact CB-OE2 3.37Å; L208-E278 HydrophobicContact CD2-CB 4.23Å; L208-E278 PolarHBondContact N-OE2 3.39Å; L208-M280 HydrophobicContact CD2-CB 4.33Å; L208-M280 HydrophobicContact CD2-CG 4.1Å; L208-M280 HydrophobicContact CD2-SD 4.25Å; L208-M280 HydrophobicContact CG-SD 4.08Å
209K86.6Confident72.8Confident117 Ų11783.9 Ų83.951%0.50942%0.419SS..EExtended strand (participates in β ladder)trans-135.1134.9174.4-62.7-176.8179.6-177.50110.6R207 A231 V232R207-K209 PolarHBondContact O-N 2.85Å; K209-A231 CarbonylContact O-C 3.54Å; K209-A231 WeakPolarHBondContact O-CA 3.46Å; K209-A231 VanDerWaalsContact O-CB 3.31Å; K209-A231 WeakPolarHBondContact O-CB 3.42Å; K209-V232 HydrophobicContact CB-CG2 3.79Å; K209-V232 PolarHBondContact N-O 2.66Å; K209-V232 PolarHBondContact O-N 3.12Å
210L87.5Confident74.8Confident38 Ų3879.8 Ų79.820%0.19940%0.399CS..EExtended strand (participates in β ladder)trans-78131176-166.955.8000110.1H213 G230 A231 I273 M280 T282L210-H213 WeakPolarHBondContact CD2-CE1 3.4Å; L210-H213 VanDerWaalsContact CD2-NE2 3.3Å; L210-H213 WeakPolarHBondContact CD2-NE2 3.21Å; L210-G230 WeakPolarHBondContact CD1-O 3.42Å; L210-A231 HydrophobicContact CD1-CB 4.39Å; L210-I273 HydrophobicContact CD1-CD1 3.31Å; L210-M280 HydrophobicContact CB-CE 3.78Å; L210-T282 HydrophobicContact CD1-CG2 4.23Å; L210-T282 HydrophobicContact CD2-CG2 4.32Å
211A86.5Confident76.6Confident32 Ų3278.4 Ų78.426%0.26439%0.387SS..EExtended strand (participates in β ladder)trans-119.9-31.3-176.400000112.9I119 L189 V191 G230I119-A211 HydrophobicContact CD1-CB 4.32Å; L189-A211 HydrophobicContact CD2-CB 4.45Å; V191-A211 HydrophobicContact CG2-CB 4.47Å; A211-G230 CarbonylContact C-O 3.57Å; A211-G230 WeakPolarHBondContact CA-O 3.32Å; A211-G230 PolarHBondContact N-O 2.99Å
212I86.9Confident78.3Confident33 Ų3371.6 Ų71.617%0.16937%0.368CS..EExtended strand (participates in β ladder)trans-131.2125.8178.6-54.7173.6000108.6L189 V191 E228 C229 G230L189-I212 HydrophobicContact CD2-CD1 4.13Å; V191-I212 HydrophobicContact CG2-CD1 4.15Å; V191-I212 HydrophobicContact CG2-CG1 3.98Å; I212-E228 HydrophobicContact CG2-CG 4.26Å; I212-C229 WeakPolarHBondContact O-CA 3.39Å; I212-G230 PolarHBondContact N-O 2.74Å; I212-G230 PolarHBondContact O-N 3.12Å
213H87.9Confident80.2Confident97 Ų9766.9 Ų66.945%0.44935%0.346SS..  trans-96.8143172-79.4-92.8000109.9L210 E228 N283L210-H213 WeakPolarHBondContact CD2-CE1 3.4Å; L210-H213 VanDerWaalsContact CD2-NE2 3.3Å; L210-H213 WeakPolarHBondContact CD2-NE2 3.21Å; H213-E228 CarbonylContact C-O 3.54Å; H213-N283 VanDerWaalsContact CB-OD1 3.26Å; H213-N283 WeakPolarHBondContact CB-OD1 3.46Å; H213-N283 PolarHBondContact ND1-OD1 2.77Å
214P92.1Very high82Confident4 Ų465 Ų653%0.02633%0.33CS..  trans-61.9156.8168.324.6-30.1000111.3E228 W241 T282 N283 V285P214-E228 WeakPolarHBondContact CA-O 3.08Å; P214-E228 VanDerWaalsContact N-O 3.16Å; P214-W241 HydrophobicContact CB-CH2 3.87Å; P214-W241 HydrophobicContact CB-CZ3 4.1Å; P214-W241 HydrophobicContact CG-CH2 4.17Å; P214-W241 HydrophobicContact CG-CZ3 4.18Å; P214-T282 HydrophobicContact CG-CG2 4.41Å; P214-N283 WeakPolarHBondContact CD-OD1 3.19Å; P214-N283 PolarHBondContact O-ND2 3.33Å; P214-V285 HydrophobicContact CB-CG1 3.97Å; P214-V285 HydrophobicContact CB-CG2 3.83Å; P214-V285 HydrophobicContact CG-CG1 3.94Å; P214-V285 HydrophobicContact CG-CG2 4.12Å; P214-V285 WeakPolarHBondContact O-CG1 3.33Å
215Q89.8Confident83.7Confident152 Ų15263.6 Ų63.671%0.7132%0.323SS*.  trans-116.9143.9174.8-65.8-179.5-21.100109.3L227Q215-L227 WeakPolarHBondContact O-CD2 3.03Å
216S87Confident85.3Confident70 Ų7062.2 Ų62.249%0.4931%0.313SS..  trans-60.4144.2173.3-60.20000110.3D286S216-D286 CarbonylContact C-O 3.54Å; S216-D286 WeakPolarHBondContact CA-O 3.5Å; S216-D286 WeakPolarHBondContact CB-O 3.36Å; S216-D286 PolarHBondContact OG-N 2.83Å; S216-D286 VanDerWaalsContact OG-N 3.12Å
217Q87.1Confident86.6Confident49 Ų4961.1 Ų61.123%0.22930%0.302CS..EExtended strand (participates in β ladder)trans-132.7135.6179.4-72.3-176.511.400110.5L219 L225 Q226 L227 D286 V287 V288Q217-L219 HydrophobicContact CB-CD1 4.41Å; Q217-L219 HydrophobicContact CB-CG 4.28Å; Q217-L225 HydrophobicContact CB-CD1 4.17Å; Q217-Q226 PolarHBondContact NE2-O 3.44Å; Q217-L227 HydrophobicContact CG-CD2 4.38Å; Q217-D286 PolarHBondContact N-O 3.18Å; Q217-V287 CarbonylContact O-C 3.54Å; Q217-V287 WeakPolarHBondContact O-CA 3.34Å; Q217-V288 PolarHBondContact O-N 3.04Å
218R82.9Confident87.2Confident147 Ų14756.3 Ų56.356%0.55529%0.286SS*.EExtended strand (participates in β ladder)trans-104.6122.7166.9-59.3-172.5-176.2-158.3-3.1107.6V288 E325R218-V288 WeakPolarHBondContact CA-O 3.46Å; R218-V288 HydrophobicContact CG-CB 4.27Å; R218-E325 VanDerWaalsContact CZ-CD 3.48Å; R218-E325 IonicContact CZ-OE1 3.12Å; R218-E325 IonicContact CZ-OE2 2.66Å; R218-E325 IonicContact NE-OE1 3.1Å; R218-E325 PolarHBondContact NE-OE1 3.5Å; R218-E325 IonicContact NE-OE2 3.12Å; R218-E325 IonicContact NH2-OE1 3.93Å; R218-E325 PolarHBondContact NH2-OE1 3.15Å; R218-E325 IonicContact NH2-OE2 3.92Å; R218-E325 PolarHBondContact NH2-OE2 3.35Å
219L80.8Confident87.5Confident18 Ų1855.8 Ų55.89%0.09428%0.283CS..EExtended strand (participates in β ladder)trans-130.8154.9-175.3-62.2167.1000109Q217 E223 L225 V261 V287 V288 I289 A290Q217-L219 HydrophobicContact CB-CD1 4.41Å; Q217-L219 HydrophobicContact CB-CG 4.28Å; L219-E223 VanDerWaalsContact CA-OE2 3.32Å; L219-E223 WeakPolarHBondContact CA-OE2 3.43Å; L219-E223 HydrophobicContact CB-CB 4.27Å; L219-E223 HydrophobicContact CD2-CB 4.28Å; L219-L225 HydrophobicContact CD1-CB 3.47Å; L219-L225 VanDerWaalsContact CD1-CB 3.47Å; L219-L225 HydrophobicContact CD1-CD1 3.58Å; L219-L225 HydrophobicContact CD1-CG 4.14Å; L219-V261 HydrophobicContact CB-CG2 3.98Å; L219-V261 HydrophobicContact CD1-CG1 4.15Å; L219-V261 HydrophobicContact CD1-CG2 4.4Å; L219-V287 HydrophobicContact CD1-CG1 4.43Å; L219-V288 PolarHBondContact N-O 3.15Å; L219-I289 CarbonylContact O-C 3.58Å; L219-I289 WeakPolarHBondContact O-CA 3.47Å; L219-A290 PolarHBondContact O-N 3Å
220H82.2Confident87.7Confident84 Ų8450.2 Ų50.239%0.38926%0.259SS..EExtended strand (participates in β ladder)trans-95.9157.3168.6-55.986.6000111.8G222 E223 V261 A290 R292H220-G222 PolarHBondContact O-N 2.58Å; H220-E223 HydrophobicContact CB-CG 4.3Å; H220-E223 IonicContact CG-OE1 3.27Å; H220-E223 PolarHBondContact N-OE2 2.87Å; H220-E223 IonicContact ND1-OE1 2.99Å; H220-E223 PolarHBondContact ND1-OE1 2.77Å; H220-E223 IonicContact ND1-OE2 3.89Å; H220-E223 VanDerWaalsContact O-CB 3.27Å; H220-E223 WeakPolarHBondContact O-CB 3.39Å; H220-E223 PolarHBondContact O-N 3.43Å; H220-V261 WeakPolarHBondContact O-CG2 3.27Å; H220-A290 CarbonylContact C-O 3.56Å; H220-A290 WeakPolarHBondContact CA-O 3.06Å; H220-R292 HydrophobicContact CB-CB 4.47Å; H220-R292 HydrophobicContact CB-CG 3.4Å
221V77.8Confident87.9Confident52 Ų5248.5 Ų48.532%0.31525%0.25SC..THydrogen-bonded Turntrans-53126.3174.9174.90000110.2V261 I289 A290 R292V221-V261 CarbonylContact C-O 3.44Å; V221-V261 WeakPolarHBondContact CA-O 3.49Å; V221-I289 HydrophobicContact CG2-CG2 3.77Å; V221-A290 PolarHBondContact N-O 2.77Å; V221-R292 WeakPolarHBondContact O-CD 3.34Å; V221-R292 WeakPolarHBondContact O-CG 3.4Å; V221-R292 PolarHBondContact O-NE 3.39Å
222G79.4Confident88.1Confident25 Ų2547.2 Ų47.226%0.25824%0.239SC..THydrogen-bonded Turntrans91.8-6.6-176.300000115.1H220 V261H220-G222 PolarHBondContact O-N 2.58Å; G222-V261 PolarHBondContact N-O 3.22Å
223E84.2Confident88.2Confident55 Ų5545.7 Ų45.726%0.25723%0.231SC..SBendtrans-77.3174.3169.9-68.6179.7175.500112L219 H220 Q260 V261 R292L219-E223 VanDerWaalsContact CA-OE2 3.32Å; L219-E223 WeakPolarHBondContact CA-OE2 3.43Å; L219-E223 HydrophobicContact CB-CB 4.27Å; L219-E223 HydrophobicContact CD2-CB 4.28Å; H220-E223 HydrophobicContact CB-CG 4.3Å; H220-E223 IonicContact CG-OE1 3.27Å; H220-E223 PolarHBondContact N-OE2 2.87Å; H220-E223 IonicContact ND1-OE1 2.99Å; H220-E223 PolarHBondContact ND1-OE1 2.77Å; H220-E223 IonicContact ND1-OE2 3.89Å; H220-E223 VanDerWaalsContact O-CB 3.27Å; H220-E223 WeakPolarHBondContact O-CB 3.39Å; H220-E223 PolarHBondContact O-N 3.43Å; E223-Q260 CarbonylContact O-C 3.55Å; E223-Q260 WeakPolarHBondContact O-CA 3.5Å; E223-Q260 PolarHBondContact O-N 3.49Å; E223-V261 HydrophobicContact CB-CG2 4.43Å; E223-V261 WeakPolarHBondContact O-CG1 3.33Å; E223-V261 WeakPolarHBondContact O-CG2 3.21Å; E223-V261 PolarHBondContact O-N 3.09Å; E223-R292 IonicContact OE1-NH2 3.39Å
224T89.4Confident88.2Confident68 Ų6844.1 Ų44.142%0.41722%0.221SC..  trans-107.4118.9-179.3-61.70000110M257 I258T224-M257 HydrophobicContact CG2-CE 3.43Å; T224-M257 VanDerWaalsContact CG2-CE 3.43Å; T224-I258 WeakPolarHBondContact CA-O 3.2Å
225L93.1Very high88Confident0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-75.5130.8169.8173.466.4000109.7Q217 L219 L227 M257 I258 V261 Y269 V287Q217-L225 HydrophobicContact CB-CD1 4.17Å; L219-L225 HydrophobicContact CD1-CB 3.47Å; L219-L225 VanDerWaalsContact CD1-CB 3.47Å; L219-L225 HydrophobicContact CD1-CD1 3.58Å; L219-L225 HydrophobicContact CD1-CG 4.14Å; L225-L227 HydrophobicContact CD1-CD2 3.96Å; L225-L227 HydrophobicContact CD1-CG 3.85Å; L225-L227 HydrophobicContact CG-CG 4.22Å; L225-M257 CarbonylContact O-C 3.57Å; L225-M257 VanDerWaalsContact O-CA 3.27Å; L225-M257 WeakPolarHBondContact O-CA 3.45Å; L225-I258 HydrophobicContact CB-CB 4.15Å; L225-I258 HydrophobicContact CD2-CB 4.5Å; L225-I258 HydrophobicContact CD2-CD1 3.87Å; L225-I258 HydrophobicContact CD2-CG1 4.18Å; L225-I258 PolarHBondContact N-O 3.01Å; L225-I258 PolarHBondContact O-N 2.65Å; L225-V261 HydrophobicContact CB-CG1 3.53Å; L225-Y269 HydrophobicContact CD2-CE1 4.22Å; L225-V287 HydrophobicContact CD1-CB 4.25Å; L225-V287 HydrophobicContact CD1-CG1 3.6Å; L225-V287 HydrophobicContact CD1-CG2 3.59Å; L225-V287 HydrophobicContact CD2-CG1 3.92Å; L225-V287 HydrophobicContact CD2-CG2 4.13Å; L225-V287 HydrophobicContact CG-CG1 4.32Å
226Q95.3Very high88Confident82 Ų8239.8 Ų39.838%0.38320%0.204SC..EExtended strand (participates in β ladder)trans-132.591.5174.4177167.8-34.900110.8Q217 L256 M257Q217-Q226 PolarHBondContact NE2-O 3.44Å; Q226-L256 CarbonylContact C-O 3.5Å; Q226-L256 WeakPolarHBondContact CA-O 3.06Å; Q226-M257 HydrophobicContact CB-CE 4.06Å; Q226-M257 HydrophobicContact CB-SD 3.44Å; Q226-M257 WeakPolarHBondContact CB-SD 3.41Å; Q226-M257 VanDerWaalsContact CD-SD 3.57Å; Q226-M257 HydrophobicContact CG-CE 4.3Å; Q226-M257 HydrophobicContact CG-SD 3.3Å; Q226-M257 WeakPolarHBondContact CG-SD 3.39Å; Q226-M257 PolarHBondContact OE1-SD 2.85Å; Q226-M257 VanDerWaalsContact OE1-SD 3.38Å
227L94.6Very high88.3Confident0 Ų036.9 Ų36.90%018%0.183CC..EExtended strand (participates in β ladder)trans-90.8142.1170-59.1180000110.6Q215 Q217 L225 W241 K255 L256 Y269 V285 V287Q215-L227 WeakPolarHBondContact O-CD2 3.03Å; Q217-L227 HydrophobicContact CG-CD2 4.38Å; L225-L227 HydrophobicContact CD1-CD2 3.96Å; L225-L227 HydrophobicContact CD1-CG 3.85Å; L225-L227 HydrophobicContact CG-CG 4.22Å; L227-W241 HydrophobicContact CB-CH2 3.53Å; L227-W241 HydrophobicContact CB-CZ2 4.06Å; L227-W241 HydrophobicContact CB-CZ3 3.82Å; L227-W241 HydrophobicContact CD1-CE3 4.31Å; L227-W241 HydrophobicContact CD1-CH2 4.41Å; L227-W241 HydrophobicContact CD1-CZ3 3.84Å; L227-K255 CarbonylContact O-C 3.28Å; L227-K255 WeakPolarHBondContact O-CA 3.43Å; L227-L256 HydrophobicContact CB-CB 4.28Å; L227-L256 HydrophobicContact CD1-CD2 4.35Å; L227-L256 PolarHBondContact N-O 2.95Å; L227-L256 PolarHBondContact O-N 3.32Å; L227-Y269 HydrophobicContact CD1-CD1 3.88Å; L227-Y269 HydrophobicContact CD1-CD2 4.35Å; L227-Y269 HydrophobicContact CD1-CG 3.63Å; L227-V285 HydrophobicContact CD1-CG2 4.04Å; L227-V285 HydrophobicContact CD2-CG2 4.19Å; L227-V287 HydrophobicContact CD1-CG2 3.86Å; L227-V287 HydrophobicContact CD2-CG2 4.07Å; L227-V287 HydrophobicContact CG-CG2 4.29Å
228E93.4Very high88.6Confident49 Ų4943.6 Ų43.623%0.22921%0.207CC..EExtended strand (participates in β ladder)trans-127.3135.8176.7-177.8165.4-165.500110.9I212 H213 P214 R254 K255I212-E228 HydrophobicContact CG2-CG 4.26Å; H213-E228 CarbonylContact C-O 3.54Å; P214-E228 WeakPolarHBondContact CA-O 3.08Å; P214-E228 VanDerWaalsContact N-O 3.16Å; E228-R254 WeakPolarHBondContact CA-O 3.46Å; E228-R254 IonicContact OE1-CZ 3.18Å; E228-R254 VanDerWaalsContact OE1-CZ 3.29Å; E228-R254 IonicContact OE1-NE 3.63Å; E228-R254 PolarHBondContact OE1-NE 2.79Å; E228-R254 IonicContact OE1-NH2 3.99Å; E228-R254 PolarHBondContact OE1-NH2 3.48Å; E228-K255 HydrophobicContact CB-CG 4.09Å; E228-K255 HydrophobicContact CG-CG 3.97Å; E228-K255 WeakPolarHBondContact OE1-CE 3.38Å; E228-K255 WeakPolarHBondContact OE2-CE 3.14Å; E228-K255 IonicContact OE2-NZ 2.97Å
229C93.1Very high89.2Confident0 Ų037.6 Ų37.60%018%0.184CC..  trans-132.5158.9166.164.70000108.5I212 Y239 W241 R254 C271 T282I212-C229 WeakPolarHBondContact O-CA 3.39Å; C229-Y239 WeakPolarHBondContact SG-CD1 3.41Å; C229-W241 HydrophobicContact CB-CH2 4.03Å; C229-W241 HydrophobicContact CB-CZ2 4.01Å; C229-W241 WeakPolarHBondContact SG-CZ2 3.35Å; C229-R254 PolarHBondContact N-O 2.84Å; C229-R254 WeakPolarHBondContact O-CB 3.43Å; C229-R254 PolarHBondContact SG-O 2.96Å; C229-C271 HydrophobicContact CB-CB 4.17Å; C229-C271 VanDerWaalsContact SG-CB 3.56Å; C229-C271 PolarHBondContact SG-SG 3.44Å; C229-T282 HydrophobicContact CB-CG2 3.77Å
230G90.9Very high90Very high0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-158.7129.8-175.600000111.6L210 A211 I212L210-G230 WeakPolarHBondContact CD1-O 3.42Å; A211-G230 CarbonylContact C-O 3.57Å; A211-G230 WeakPolarHBondContact CA-O 3.32Å; A211-G230 PolarHBondContact N-O 2.99Å; I212-G230 PolarHBondContact N-O 2.74Å; I212-G230 PolarHBondContact O-N 3.12Å
231A90.9Very high90.7Very high1 Ų134.9 Ų34.91%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-128.4154.3175.800000110.8A117 L208 K209 L210 P237 Y239 I273A117-A231 WeakPolarHBondContact CB-O 3.3Å; L208-A231 HydrophobicContact CD1-CB 3.99Å; K209-A231 CarbonylContact O-C 3.54Å; K209-A231 WeakPolarHBondContact O-CA 3.46Å; K209-A231 VanDerWaalsContact O-CB 3.31Å; K209-A231 WeakPolarHBondContact O-CB 3.42Å; L210-A231 HydrophobicContact CD1-CB 4.39Å; A231-P237 HydrophobicContact CB-CB 4.23Å; A231-P237 HydrophobicContact CB-CG 4.06Å; A231-Y239 PolarHBondContact N-OH 3.17Å; A231-Y239 PolarHBondContact O-OH 2.98Å; A231-I273 HydrophobicContact CB-CD1 4.22Å; A231-I273 HydrophobicContact CB-CG2 3.76Å
232V90.7Very high91.6Very high6 Ų633.3 Ų33.34%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-106.2150.1170.9-64.30000110.1A117 I119 L189 I204 L208 K209A117-V232 WeakPolarHBondContact O-CA 3.43Å; A117-V232 WeakPolarHBondContact O-CB 3.49Å; I119-V232 HydrophobicContact CD1-CG1 4.17Å; I119-V232 HydrophobicContact CG1-CG1 3.76Å; L189-V232 HydrophobicContact CD1-CG1 4.2Å; I204-V232 HydrophobicContact CD1-CB 4.11Å; I204-V232 HydrophobicContact CD1-CG1 4.47Å; I204-V232 HydrophobicContact CD1-CG2 4.34Å; L208-V232 WeakPolarHBondContact CA-O 3.47Å; K209-V232 HydrophobicContact CB-CG2 3.79Å; K209-V232 PolarHBondContact N-O 2.66Å; K209-V232 PolarHBondContact O-N 3.12Å
233G89Confident92.4Very high0 Ų035.8 Ų35.80%016%0.162CC..BIsolated β-bridgetrans169.1164.8-179.500000114.6A117 P235A117-G233 PolarHBondContact N-O 2.86Å; A117-G233 PolarHBondContact O-N 3Å; G233-P235 CarbonylContact C-O 3.58Å; G233-P235 VanDerWaalsContact C-O 3.23Å
234R88.5Confident92.8Very high64 Ų6437.5 Ų37.524%0.24217%0.173CC..SBendtrans-132.8108.7173.2-63.5175.4179-115.35.3108.9V116 R125 G206V116-R234 HydrophobicContact CB-CG 3.89Å; V116-R234 HydrophobicContact CG2-CG 3.44Å; V116-R234 VanDerWaalsContact CG2-CG 3.44Å; R125-R234 PolarHBondContact O-NH1 3.34Å; G206-R234 PolarHBondContact O-N 2.73Å; G206-R234 VanDerWaalsContact O-O 3.13Å
235P88.8Confident92.8Very high33 Ų3336.4 Ų36.421%0.21418%0.175CC..SBendcis-67.1168.35.9-10.919.8000115.2Q114 S115 G233 S275 S276Q114-P235 HydrophobicContact CG-CB 4.44Å; Q114-P235 VanDerWaalsContact NE2-CG 3.28Å; S115-P235 CarbonylContact O-C 3.57Å; S115-P235 WeakPolarHBondContact O-CA 3.41Å; G233-P235 CarbonylContact C-O 3.58Å; G233-P235 VanDerWaalsContact C-O 3.23Å; P235-S275 WeakPolarHBondContact CD-OG 3.39Å; P235-S276 WeakPolarHBondContact CG-OG 3.4Å
236I89.8Confident92.8Very high33 Ų3341 Ų4117%0.16920%0.203CC..PPolyproline II helixtrans-52.4129.2174.4-167.5168000111.3S115 A117 Q185 D187S115-I236 VanDerWaalsContact CB-CG2 3.48Å; S115-I236 PolarHBondContact O-N 2.92Å; A117-I236 HydrophobicContact CB-CG1 4.25Å; Q185-I236 HydrophobicContact CB-CD1 4.18Å; Q185-I236 HydrophobicContact CG-CD1 3.84Å; D187-I236 HydrophobicContact CB-CD1 3.92Å
237P92.8Very high92.9Very high8 Ų840.4 Ų40.45%0.05221%0.206CC..PPolyproline II helixtrans-65.1145-179.5-2334.7000113.1A117 L208 A231 Y239 I273A117-P237 HydrophobicContact CB-CG 4.3Å; L208-P237 HydrophobicContact CD1-CB 3.74Å; L208-P237 HydrophobicContact CD1-CG 3.51Å; A231-P237 HydrophobicContact CB-CB 4.23Å; A231-P237 HydrophobicContact CB-CG 4.06Å; P237-Y239 HydrophobicContact CB-CE2 4.35Å; P237-Y239 WeakPolarHBondContact O-CE2 3.41Å; P237-I273 HydrophobicContact CB-CG2 3.81Å
238R93.9Very high92.8Very high191 Ų19141.9 Ų41.972%0.72121%0.214SC*.EExtended strand (participates in β ladder)trans-104.7146171-62.9-179.9-178.9174.1-0.1109.7I273 S274R238-I273 CarbonylContact O-C 3.58Å; R238-I273 VanDerWaalsContact O-CA 3.31Å; R238-I273 WeakPolarHBondContact O-CA 3.48Å; R238-S274 PolarHBondContact N-O 3.45Å; R238-S274 PolarHBondContact O-N 3.06Å
239Y95.5Very high92.8Very high20 Ų2044.7 Ų44.78%0.07824%0.236CC..EExtended strand (participates in β ladder)trans-118.3148-175.5-57.8-91.5000110.1C229 A231 P237 T252 R254 E272 I273C229-Y239 WeakPolarHBondContact SG-CD1 3.41Å; A231-Y239 PolarHBondContact N-OH 3.17Å; A231-Y239 PolarHBondContact O-OH 2.98Å; P237-Y239 HydrophobicContact CB-CE2 4.35Å; P237-Y239 WeakPolarHBondContact O-CE2 3.41Å; Y239-T252 CarbonylContact O-C 3.54Å; Y239-T252 WeakPolarHBondContact O-CA 3.39Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; Y239-R254 HydrophobicContact CD2-CB 4.49Å; Y239-R254 HydrophobicContact CE2-CB 4.27Å; Y239-E272 CarbonylContact C-O 3.6Å; Y239-E272 WeakPolarHBondContact CA-O 3.48Å; Y239-I273 HydrophobicContact CD1-CD1 4.24Å; Y239-I273 HydrophobicContact CD1-CG1 3.72Å; Y239-I273 HydrophobicContact CD1-CG2 4.49Å; Y239-I273 HydrophobicContact CE1-CD1 4.02Å; Y239-I273 HydrophobicContact CE1-CG1 3.91Å; Y239-I273 HydrophobicContact CE1-CG2 4.26Å
240Q97Very high92.6Very high46 Ų4652 Ų5222%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-146.2117.7167.917659.365.400108.6H242 P247 I248 C271 E272Q240-H242 PolarHBondContact O-CD2 2.83Å; Q240-P247 HydrophobicContact CG-CB 4.24Å; Q240-I248 PolarHBondContact NE2-O 2.82Å; Q240-C271 WeakPolarHBondContact O-CA 3.34Å; Q240-E272 HydrophobicContact CB-CB 4.45Å; Q240-E272 PolarHBondContact N-O 3.35Å; Q240-E272 PolarHBondContact O-N 3Å
241W97.6Very high92.8Very high0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans-81.3143.4175.9-69.789.2000111.7P214 L227 C229 I248 A251 K253 R254 L256 C271P214-W241 HydrophobicContact CB-CH2 3.87Å; P214-W241 HydrophobicContact CB-CZ3 4.1Å; P214-W241 HydrophobicContact CG-CH2 4.17Å; P214-W241 HydrophobicContact CG-CZ3 4.18Å; L227-W241 HydrophobicContact CB-CH2 3.53Å; L227-W241 HydrophobicContact CB-CZ2 4.06Å; L227-W241 HydrophobicContact CB-CZ3 3.82Å; L227-W241 HydrophobicContact CD1-CE3 4.31Å; L227-W241 HydrophobicContact CD1-CH2 4.41Å; L227-W241 HydrophobicContact CD1-CZ3 3.84Å; C229-W241 HydrophobicContact CB-CH2 4.03Å; C229-W241 HydrophobicContact CB-CZ2 4.01Å; C229-W241 WeakPolarHBondContact SG-CZ2 3.35Å; W241-I248 HydrophobicContact CB-CD1 4.06Å; W241-I248 PolarHBondContact O-N 2.58Å; W241-A251 HydrophobicContact CB-CB 3.79Å; W241-A251 VanDerWaalsContact CD1-O 3.31Å; W241-A251 HydrophobicContact CG-CB 4.31Å; W241-A251 PolarHBondContact N-O 3.48Å; W241-K253 PolarHBondContact NE1-O 3.37Å; W241-R254 WeakPolarHBondContact CZ2-O 3.48Å; W241-L256 HydrophobicContact CB-CD2 4.17Å; W241-L256 HydrophobicContact CD2-CB 3.84Å; W241-L256 HydrophobicContact CD2-CD2 4.1Å; W241-L256 HydrophobicContact CE3-CD2 4.28Å; W241-L256 HydrophobicContact CG-CB 3.94Å; W241-L256 HydrophobicContact CG-CD2 4.05Å; W241-L256 HydrophobicContact CG-CG 4.45Å; W241-L256 HydrophobicContact CZ2-CB 4.23Å; W241-C271 HydrophobicContact CD2-CB 3.93Å; W241-C271 HydrophobicContact CE3-CB 3.89Å; W241-C271 HydrophobicContact CH2-CB 4.16Å; W241-C271 HydrophobicContact CZ2-CB 4.22Å; W241-C271 HydrophobicContact CZ3-CB 4Å
242H96.8Very high92.9Very high18 Ų1856.2 Ų56.28%0.08330%0.302CS..EExtended strand (participates in β ladder)trans-121.1142174.2-69.2-113.8000109.6Q240 G245 V246 Y269 R270 E272 W281Q240-H242 PolarHBondContact O-CD2 2.83Å; H242-G245 PolarHBondContact ND1-O 3.08Å; H242-G245 VanDerWaalsContact ND1-O 3.11Å; H242-V246 CarbonylContact C-O 3.42Å; H242-V246 WeakPolarHBondContact CA-O 3.37Å; H242-Y269 VanDerWaalsContact O-CA 3.29Å; H242-Y269 WeakPolarHBondContact O-CA 3.42Å; H242-R270 HydrophobicContact CB-CG 4.3Å; H242-R270 PolarHBondContact N-O 2.83Å; H242-R270 PolarHBondContact O-N 3.16Å; H242-R270 VanDerWaalsContact O-N 3.12Å; H242-E272 IonicContact NE2-OE2 3.22Å; H242-W281 AromaticContact CD2-CH2 3.92Å; H242-W281 AromaticContact CD2-CZ3 3.7Å; H242-W281 AromaticContact CE1-CH2 3.88Å; H242-W281 AromaticContact NE2-CH2 3.69Å; H242-W281 AromaticContact NE2-CZ3 3.97Å
243R95.9Very high93Very high77 Ų7763.4 Ų63.429%0.29133%0.333SS..EExtended strand (participates in β ladder)trans-118.7122.5169.1-176.1177.673.8-171.99.8108.7G245 V246 I248 D264 H265 R268 Y269R243-G245 PolarHBondContact O-N 3.06Å; R243-V246 PolarHBondContact N-O 3.16Å; R243-V246 PolarHBondContact O-N 3.02Å; R243-I248 HydrophobicContact CB-CD1 3.9Å; R243-I248 HydrophobicContact CB-CG1 3.89Å; R243-D264 PolarHBondContact NH1-O 3.43Å; R243-D264 PolarHBondContact NH2-O 3.27Å; R243-H265 PolarHBondContact NH1-CD2 3.3Å; R243-R268 CarbonylContact C-O 3.54Å; R243-R268 WeakPolarHBondContact CA-O 3.15Å; R243-Y269 HydrophobicContact CB-CD1 4.28Å; R243-Y269 HydrophobicContact CB-CE1 3.99Å; R243-Y269 VanDerWaalsContact CD-CZ 3.46Å; R243-Y269 WeakPolarHBondContact CD-OH 3.4Å; R243-Y269 HydrophobicContact CG-CD2 4.46Å; R243-Y269 HydrophobicContact CG-CE1 4.06Å; R243-Y269 HydrophobicContact CG-CE2 3.93Å
244N92.4Very high93.1Very high92 Ų9266.2 Ų66.249%0.49234%0.343SS..THydrogen-bonded Turntrans52.138.2-177.3-57.3-31.3000112.5V246 G267 R268N244-V246 VanDerWaalsContact C-N 3.29Å; N244-V246 PolarHBondContact O-N 2.98Å; N244-G267 WeakPolarHBondContact OD1-CA 3.32Å; N244-R268 PolarHBondContact N-O 3.08Å; N244-R268 PolarHBondContact OD1-N 2.96Å
245G89.6Confident93.3Very high45 Ų4567.2 Ų67.246%0.46435%0.35SS..THydrogen-bonded Turntrans84.1-14.1-177.600000115.6H242 R243H242-G245 PolarHBondContact ND1-O 3.08Å; H242-G245 VanDerWaalsContact ND1-O 3.11Å; R243-G245 PolarHBondContact O-N 3.06Å
246V93.4Very high93.6Very high96 Ų9666.2 Ų66.258%0.58234%0.342SS*.EExtended strand (participates in β ladder)trans-93.2131.8-177.3-176.40000110.7H242 R243 N244 I248H242-V246 CarbonylContact C-O 3.42Å; H242-V246 WeakPolarHBondContact CA-O 3.37Å; R243-V246 PolarHBondContact N-O 3.16Å; R243-V246 PolarHBondContact O-N 3.02Å; N244-V246 VanDerWaalsContact C-N 3.29Å; N244-V246 PolarHBondContact O-N 2.98Å; V246-I248 PolarHBondContact O-N 2.94Å
247P95.4Very high93.8Very high70 Ų7068.9 Ų68.946%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-64.6129.7178.226.3-33.7000110.9Q240Q240-P247 HydrophobicContact CG-CB 4.24Å
248I94.4Very high93.8Very high30 Ų3069.5 Ų69.515%0.15436%0.358CS..PPolyproline II helixtrans-79123.8176.3-52.6172.2000108.1Q240 W241 R243 V246 N250 A251 L256 Y269Q240-I248 PolarHBondContact NE2-O 2.82Å; W241-I248 HydrophobicContact CB-CD1 4.06Å; W241-I248 PolarHBondContact O-N 2.58Å; R243-I248 HydrophobicContact CB-CD1 3.9Å; R243-I248 HydrophobicContact CB-CG1 3.89Å; V246-I248 PolarHBondContact O-N 2.94Å; I248-N250 PolarHBondContact O-N 3.19Å; I248-A251 HydrophobicContact CB-CB 3.72Å; I248-A251 HydrophobicContact CG2-CB 3.87Å; I248-A251 WeakPolarHBondContact O-CB 2.91Å; I248-A251 PolarHBondContact O-N 2.94Å; I248-L256 HydrophobicContact CD1-CD2 3.79Å; I248-Y269 HydrophobicContact CD1-CD1 3.82Å; I248-Y269 HydrophobicContact CD1-CE1 3.51Å
249P91.7Very high93.4Very high108 Ų10864.9 Ų64.970%0.70135%0.352SS*.THydrogen-bonded Turntrans-56.2135.4180-25.434.3000112A251P249-A251 PolarHBondContact O-N 2.82Å
250N89.6Confident92.9Very high153 Ų15370.7 Ų70.782%0.81838%0.381SS*.THydrogen-bonded Turntrans61.95.1178-54.5-38.2000116.2I248 T252I248-N250 PolarHBondContact O-N 3.19Å; N250-T252 PolarHBondContact O-N 2.89Å
251A94.3Very high92.6Very high11 Ų1168.5 Ų68.59%0.09137%0.37CS..  trans-83.564.1176.500000111.5W241 I248 P249 L256W241-A251 HydrophobicContact CB-CB 3.79Å; W241-A251 VanDerWaalsContact CD1-O 3.31Å; W241-A251 HydrophobicContact CG-CB 4.31Å; W241-A251 PolarHBondContact N-O 3.48Å; I248-A251 HydrophobicContact CB-CB 3.72Å; I248-A251 HydrophobicContact CG2-CB 3.87Å; I248-A251 WeakPolarHBondContact O-CB 2.91Å; I248-A251 PolarHBondContact O-N 2.94Å; P249-A251 PolarHBondContact O-N 2.82Å; A251-L256 HydrophobicContact CB-CD1 3.9Å
252T94.6Very high92.1Very high79 Ų7974 Ų7449%0.48540%0.397SS..  trans-1089.9-173.756.50000114.2Y239 N250Y239-T252 CarbonylContact O-C 3.54Å; Y239-T252 WeakPolarHBondContact O-CA 3.39Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; N250-T252 PolarHBondContact O-N 2.89Å
253K92.2Very high91.4Very high157 Ų15777.8 Ų77.868%0.68342%0.415SS*.SBendtrans-98.7156.5179.7-63.9-176.9-179.11780110.8W241 K255W241-K253 PolarHBondContact NE1-O 3.37Å; K253-K255 PolarHBondContact O-N 2.92Å
254R91.2Very high90.9Very high59 Ų5980.3 Ų80.322%0.22343%0.434CS..SBendtrans-52.9-34.7172.464.1178.3-73.1-167.80.8113.5E228 C229 Y239 W241E228-R254 WeakPolarHBondContact CA-O 3.46Å; E228-R254 IonicContact OE1-CZ 3.18Å; E228-R254 VanDerWaalsContact OE1-CZ 3.29Å; E228-R254 IonicContact OE1-NE 3.63Å; E228-R254 PolarHBondContact OE1-NE 2.79Å; E228-R254 IonicContact OE1-NH2 3.99Å; E228-R254 PolarHBondContact OE1-NH2 3.48Å; C229-R254 PolarHBondContact N-O 2.84Å; C229-R254 WeakPolarHBondContact O-CB 3.43Å; C229-R254 PolarHBondContact SG-O 2.96Å; Y239-R254 HydrophobicContact CD2-CB 4.49Å; Y239-R254 HydrophobicContact CE2-CB 4.27Å; W241-R254 WeakPolarHBondContact CZ2-O 3.48Å
255K93.1Very high90.7Very high86 Ų8678.2 Ų78.237%0.37442%0.421SS..EExtended strand (participates in β ladder)trans-106.9122.2176.6-72.8179.2177.7-166.60110.1L227 E228 K253L227-K255 CarbonylContact O-C 3.28Å; L227-K255 WeakPolarHBondContact O-CA 3.43Å; E228-K255 HydrophobicContact CB-CG 4.09Å; E228-K255 HydrophobicContact CG-CG 3.97Å; E228-K255 WeakPolarHBondContact OE1-CE 3.38Å; E228-K255 WeakPolarHBondContact OE2-CE 3.14Å; E228-K255 IonicContact OE2-NZ 2.97Å; K253-K255 PolarHBondContact O-N 2.92Å
256L95.2Very high90.7Very high11 Ų1180.2 Ų80.26%0.05842%0.418CS..EExtended strand (participates in β ladder)trans-91.2115.6166.9173.361.9000108.3Q226 L227 W241 I248 A251 I258 Y269Q226-L256 CarbonylContact C-O 3.5Å; Q226-L256 WeakPolarHBondContact CA-O 3.06Å; L227-L256 HydrophobicContact CB-CB 4.28Å; L227-L256 HydrophobicContact CD1-CD2 4.35Å; L227-L256 PolarHBondContact N-O 2.95Å; L227-L256 PolarHBondContact O-N 3.32Å; W241-L256 HydrophobicContact CB-CD2 4.17Å; W241-L256 HydrophobicContact CD2-CB 3.84Å; W241-L256 HydrophobicContact CD2-CD2 4.1Å; W241-L256 HydrophobicContact CE3-CD2 4.28Å; W241-L256 HydrophobicContact CG-CB 3.94Å; W241-L256 HydrophobicContact CG-CD2 4.05Å; W241-L256 HydrophobicContact CG-CG 4.45Å; W241-L256 HydrophobicContact CZ2-CB 4.23Å; I248-L256 HydrophobicContact CD1-CD2 3.79Å; A251-L256 HydrophobicContact CB-CD1 3.9Å; L256-I258 HydrophobicContact CD1-CG1 4.16Å; L256-I258 HydrophobicContact CG-CG1 4.33Å; L256-Y269 HydrophobicContact CD2-CD1 3.58Å; L256-Y269 HydrophobicContact CD2-CE1 3.64Å
257M94.1Very high90.6Very high89 Ų8976 Ų7644%0.43840%0.395SS..EExtended strand (participates in β ladder)trans-112.6121.1176.1-63.6-63.3-64.800109T224 L225 Q226T224-M257 HydrophobicContact CG2-CE 3.43Å; T224-M257 VanDerWaalsContact CG2-CE 3.43Å; L225-M257 CarbonylContact O-C 3.57Å; L225-M257 VanDerWaalsContact O-CA 3.27Å; L225-M257 WeakPolarHBondContact O-CA 3.45Å; Q226-M257 HydrophobicContact CB-CE 4.06Å; Q226-M257 HydrophobicContact CB-SD 3.44Å; Q226-M257 WeakPolarHBondContact CB-SD 3.41Å; Q226-M257 VanDerWaalsContact CD-SD 3.57Å; Q226-M257 HydrophobicContact CG-CE 4.3Å; Q226-M257 HydrophobicContact CG-SD 3.3Å; Q226-M257 WeakPolarHBondContact CG-SD 3.39Å; Q226-M257 PolarHBondContact OE1-SD 2.85Å; Q226-M257 VanDerWaalsContact OE1-SD 3.38Å
258I91.1Very high90.5Very high21 Ų2178.9 Ų78.911%0.10840%0.397CS..EExtended strand (participates in β ladder)trans-117.9101169.1-53.6-176.7000106.9T224 L225 L256 V261T224-I258 WeakPolarHBondContact CA-O 3.2Å; L225-I258 HydrophobicContact CB-CB 4.15Å; L225-I258 HydrophobicContact CD2-CB 4.5Å; L225-I258 HydrophobicContact CD2-CD1 3.87Å; L225-I258 HydrophobicContact CD2-CG1 4.18Å; L225-I258 PolarHBondContact N-O 3.01Å; L225-I258 PolarHBondContact O-N 2.65Å; L256-I258 HydrophobicContact CD1-CG1 4.16Å; L256-I258 HydrophobicContact CG-CG1 4.33Å; I258-V261 HydrophobicContact CB-CG1 4.21Å; I258-V261 HydrophobicContact CG2-CG1 4.2Å; I258-V261 WeakPolarHBondContact O-CG1 3.42Å
259P86.1Confident90.6Very high94 Ų9477.5 Ų77.561%0.6139%0.389SS*.SBendtrans-70.3140175.230.2-32.6000109.1
260Q86Confident90.9Very high143 Ų14376.1 Ų76.167%0.66837%0.37SS*.SBendtrans52.470.1-179.8-61.4-173.1-6.800113.3E223E223-Q260 CarbonylContact O-C 3.55Å; E223-Q260 WeakPolarHBondContact O-CA 3.5Å; E223-Q260 PolarHBondContact O-N 3.49Å
261V89.5Confident91.2Very high0 Ų068.8 Ų68.80%033%0.331CS..  trans-61147.3179.6-59.40000111.2L219 H220 V221 G222 E223 L225 I258 I289L219-V261 HydrophobicContact CB-CG2 3.98Å; L219-V261 HydrophobicContact CD1-CG1 4.15Å; L219-V261 HydrophobicContact CD1-CG2 4.4Å; H220-V261 WeakPolarHBondContact O-CG2 3.27Å; V221-V261 CarbonylContact C-O 3.44Å; V221-V261 WeakPolarHBondContact CA-O 3.49Å; G222-V261 PolarHBondContact N-O 3.22Å; E223-V261 HydrophobicContact CB-CG2 4.43Å; E223-V261 WeakPolarHBondContact O-CG1 3.33Å; E223-V261 WeakPolarHBondContact O-CG2 3.21Å; E223-V261 PolarHBondContact O-N 3.09Å; L225-V261 HydrophobicContact CB-CG1 3.53Å; I258-V261 HydrophobicContact CB-CG1 4.21Å; I258-V261 HydrophobicContact CG2-CG1 4.2Å; I258-V261 WeakPolarHBondContact O-CG1 3.42Å; V261-I289 HydrophobicContact CB-CD1 3.66Å; V261-I289 HydrophobicContact CB-CG1 4.23Å; V261-I289 HydrophobicContact CG1-CD1 4.48Å; V261-I289 HydrophobicContact CG2-CD1 3.99Å; V261-I289 HydrophobicContact CG2-CG1 4.02Å; V261-I289 HydrophobicContact CG2-CG2 4.01Å
262M87.3Confident91.3Very high115 Ų11569.9 Ų69.957%0.56733%0.334SS*.  trans-128.7163.6-177.9-60.5-174.7109.300107.8D264 H265 I289M262-D264 PolarHBondContact O-N 3.13Å; M262-H265 PolarHBondContact N-ND1 3.49Å; M262-H265 WeakPolarHBondContact O-CB 3.4Å; M262-H265 PolarHBondContact O-N 3.08Å; M262-I289 WeakPolarHBondContact O-CD1 3.33Å
263Q82Confident91.3Very high97 Ų9766.2 Ų66.245%0.45331%0.311SS..G310 helixtrans-52.6-35.6-175.2-156.663.318.400113.6H265 H266 I289Q263-H265 PolarHBondContact O-N 2.86Å; Q263-H265 VanDerWaalsContact O-N 3.16Å; Q263-H266 WeakPolarHBondContact O-CB 3.35Å; Q263-H266 PolarHBondContact O-N 2.71Å; Q263-I289 PolarHBondContact NE2-O 3.28Å; Q263-I289 VanDerWaalsContact NE2-O 3.1Å; Q263-I289 PolarHBondContact OE1-O 3.4Å
264D86.2Confident91.3Very high131 Ų13160.1 Ų60.170%0.70129%0.289SS*.G310 helixtrans-67.3-13178.5-64.1-10000114.4R243 M262 H266R243-D264 PolarHBondContact NH1-O 3.43Å; R243-D264 PolarHBondContact NH2-O 3.27Å; M262-D264 PolarHBondContact O-N 3.13Å; D264-H266 VanDerWaalsContact C-N 3.29Å
265H87.9Confident91.1Very high47 Ų4758.3 Ų58.322%0.21829%0.285CS..G310 helixtrans-84.2-2.7172.8-58.1110.2000112.5R243 M262 Q263 Y269 I289R243-H265 PolarHBondContact NH1-CD2 3.3Å; M262-H265 PolarHBondContact N-ND1 3.49Å; M262-H265 WeakPolarHBondContact O-CB 3.4Å; M262-H265 PolarHBondContact O-N 3.08Å; Q263-H265 PolarHBondContact O-N 2.86Å; Q263-H265 VanDerWaalsContact O-N 3.16Å; H265-Y269 WeakPolarHBondContact O-CE2 3.4Å; H265-Y269 PolarHBondContact O-OH 3.37Å; H265-I289 HydrophobicContact CB-CD1 3.35Å
266H89.8Confident90.4Very high87 Ų8758.9 Ų58.940%0.40330%0.3SS..  trans-68.2132.2171.8178.7-171.7000109.6Q263 D264 V287Q263-H266 WeakPolarHBondContact O-CB 3.35Å; Q263-H266 PolarHBondContact O-N 2.71Å; D264-H266 VanDerWaalsContact C-N 3.29Å; H266-V287 WeakPolarHBondContact CA-O 3.37Å; H266-V287 PolarHBondContact CD2-O 3.22Å
267G90.4Very high89.5Confident8 Ų864.1 Ų64.18%0.08233%0.333CS..EExtended strand (participates in β ladder)trans166.4-167.9167.400000112.6N244 Y269 V287N244-G267 WeakPolarHBondContact OD1-CA 3.32Å; G267-Y269 VanDerWaalsContact O-CD2 3.3Å; G267-Y269 WeakPolarHBondContact O-CD2 3.1Å; G267-V287 PolarHBondContact N-O 2.71Å; G267-V287 VanDerWaalsContact N-O 3.16Å; G267-V287 PolarHBondContact O-N 3.15Å
268R94.2Very high89Confident131 Ų13163.1 Ų63.149%0.49433%0.327SS..EExtended strand (participates in β ladder)trans-92123176.4-78.1179.5-56.7153.7-12.6110.3R243 N244 E284 V285 D286R243-R268 CarbonylContact C-O 3.54Å; R243-R268 WeakPolarHBondContact CA-O 3.15Å; N244-R268 PolarHBondContact N-O 3.08Å; N244-R268 PolarHBondContact OD1-N 2.96Å; R268-E284 HydrophobicContact CB-CG 3.83Å; R268-E284 WeakPolarHBondContact CD-OE1 3.14Å; R268-E284 HydrophobicContact CG-CG 4.34Å; R268-E284 IonicContact CZ-OE1 3.13Å; R268-E284 VanDerWaalsContact CZ-OE1 3.32Å; R268-E284 IonicContact NE-OE1 3.06Å; R268-E284 PolarHBondContact NE-OE1 3.18Å; R268-E284 IonicContact NH1-OE1 2.79Å; R268-E284 PolarHBondContact NH1-OE1 3.08Å; R268-V285 CarbonylContact C-O 3.52Å; R268-V285 WeakPolarHBondContact CA-O 3.26Å; R268-D286 WeakPolarHBondContact CG-OD1 3.22Å
269Y96.4Very high89Confident0 Ų070.9 Ų70.90%036%0.355CS..EExtended strand (participates in β ladder)trans-110.6139.1-178.5-70.8-104.6000110.5L225 L227 H242 R243 I248 L256 H265 G267 E284 V285 V287L225-Y269 HydrophobicContact CD2-CE1 4.22Å; L227-Y269 HydrophobicContact CD1-CD1 3.88Å; L227-Y269 HydrophobicContact CD1-CD2 4.35Å; L227-Y269 HydrophobicContact CD1-CG 3.63Å; H242-Y269 VanDerWaalsContact O-CA 3.29Å; H242-Y269 WeakPolarHBondContact O-CA 3.42Å; R243-Y269 HydrophobicContact CB-CD1 4.28Å; R243-Y269 HydrophobicContact CB-CE1 3.99Å; R243-Y269 VanDerWaalsContact CD-CZ 3.46Å; R243-Y269 WeakPolarHBondContact CD-OH 3.4Å; R243-Y269 HydrophobicContact CG-CD2 4.46Å; R243-Y269 HydrophobicContact CG-CE1 4.06Å; R243-Y269 HydrophobicContact CG-CE2 3.93Å; I248-Y269 HydrophobicContact CD1-CD1 3.82Å; I248-Y269 HydrophobicContact CD1-CE1 3.51Å; L256-Y269 HydrophobicContact CD2-CD1 3.58Å; L256-Y269 HydrophobicContact CD2-CE1 3.64Å; H265-Y269 WeakPolarHBondContact O-CE2 3.4Å; H265-Y269 PolarHBondContact O-OH 3.37Å; G267-Y269 VanDerWaalsContact O-CD2 3.3Å; G267-Y269 WeakPolarHBondContact O-CD2 3.1Å; Y269-E284 WeakPolarHBondContact O-CA 3.26Å; Y269-V285 PolarHBondContact N-O 2.85Å; Y269-V285 WeakPolarHBondContact O-CG2 3.5Å; Y269-V285 PolarHBondContact O-N 2.75Å; Y269-V287 HydrophobicContact CD2-CB 3.67Å; Y269-V287 HydrophobicContact CD2-CG2 3.4Å; Y269-V287 HydrophobicContact CE2-CB 3.55Å; Y269-V287 HydrophobicContact CE2-CG1 4.21Å; Y269-V287 HydrophobicContact CE2-CG2 3.71Å; Y269-V287 HydrophobicContact CG-CG2 4.08Å
270R97.3Very high89.2Confident79 Ų7969.5 Ų69.530%0.29834%0.341SS..EExtended strand (participates in β ladder)trans-150.3156.6168.467.6-176.4-167.8-157.78.5109.9H242 W281 E284H242-R270 HydrophobicContact CB-CG 4.3Å; H242-R270 PolarHBondContact N-O 2.83Å; H242-R270 PolarHBondContact O-N 3.16Å; H242-R270 VanDerWaalsContact O-N 3.12Å; R270-W281 HydrophobicContact CG-CE3 3.88Å; R270-W281 HydrophobicContact CG-CZ3 3.96Å; R270-W281 VanDerWaalsContact NE-CZ3 3.34Å; R270-E284 HydrophobicContact CB-CB 4.49Å; R270-E284 HydrophobicContact CB-CG 4.44Å; R270-E284 WeakPolarHBondContact CD-OE2 3.41Å; R270-E284 IonicContact CZ-OE2 2.75Å; R270-E284 IonicContact NH1-OE2 3.97Å; R270-E284 PolarHBondContact NH1-OE2 2.63Å
271C97.1Very high89.5Confident0 Ų067.7 Ų67.70%033%0.328CS..EExtended strand (participates in β ladder)trans-110.8129178.7-167.60000110.8C229 Q240 W241 T282C229-C271 HydrophobicContact CB-CB 4.17Å; C229-C271 VanDerWaalsContact SG-CB 3.56Å; C229-C271 PolarHBondContact SG-SG 3.44Å; Q240-C271 WeakPolarHBondContact O-CA 3.34Å; W241-C271 HydrophobicContact CD2-CB 3.93Å; W241-C271 HydrophobicContact CE3-CB 3.89Å; W241-C271 HydrophobicContact CH2-CB 4.16Å; W241-C271 HydrophobicContact CZ2-CB 4.22Å; W241-C271 HydrophobicContact CZ3-CB 4Å; C271-T282 HydrophobicContact CB-CG2 3.85Å; C271-T282 PolarHBondContact N-OG1 3Å; C271-T282 PolarHBondContact O-N 2.99Å
272E96.1Very high89.8Confident34 Ų3468.2 Ų68.216%0.15933%0.331CS..EExtended strand (participates in β ladder)trans-81.9126.2164-168.9-176.6-16700108.2Y239 Q240 H242 R279 W281Y239-E272 CarbonylContact C-O 3.6Å; Y239-E272 WeakPolarHBondContact CA-O 3.48Å; Q240-E272 HydrophobicContact CB-CB 4.45Å; Q240-E272 PolarHBondContact N-O 3.35Å; Q240-E272 PolarHBondContact O-N 3Å; H242-E272 IonicContact NE2-OE2 3.22Å; E272-R279 WeakPolarHBondContact OE1-CD 3.3Å; E272-R279 IonicContact OE1-CZ 3.57Å; E272-R279 IonicContact OE1-NH1 3.42Å; E272-R279 PolarHBondContact OE1-NH1 2.83Å; E272-R279 VanDerWaalsContact OE1-NH1 3.11Å; E272-W281 HydrophobicContact CB-CD2 4.28Å; E272-W281 HydrophobicContact CB-CE3 3.95Å; E272-W281 HydrophobicContact CB-CH2 3.64Å; E272-W281 HydrophobicContact CB-CZ2 3.98Å; E272-W281 HydrophobicContact CB-CZ3 3.62Å; E272-W281 HydrophobicContact CG-CD2 4.35Å; E272-W281 HydrophobicContact CG-CH2 3.97Å; E272-W281 HydrophobicContact CG-CZ2 3.78Å; E272-W281 HydrophobicContact CG-CZ3 4.33Å
273I94.9Very high89.9Confident1 Ų165.9 Ų65.91%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-116.4122.1178.9-58166.6000107.4L208 L210 A231 P237 R238 Y239 R279 M280 T282L208-I273 HydrophobicContact CD1-CG2 3.96Å; L208-I273 HydrophobicContact CD2-CG2 4.17Å; L210-I273 HydrophobicContact CD1-CD1 3.31Å; A231-I273 HydrophobicContact CB-CD1 4.22Å; A231-I273 HydrophobicContact CB-CG2 3.76Å; P237-I273 HydrophobicContact CB-CG2 3.81Å; R238-I273 CarbonylContact O-C 3.58Å; R238-I273 VanDerWaalsContact O-CA 3.31Å; R238-I273 WeakPolarHBondContact O-CA 3.48Å; Y239-I273 HydrophobicContact CD1-CD1 4.24Å; Y239-I273 HydrophobicContact CD1-CG1 3.72Å; Y239-I273 HydrophobicContact CD1-CG2 4.49Å; Y239-I273 HydrophobicContact CE1-CD1 4.02Å; Y239-I273 HydrophobicContact CE1-CG1 3.91Å; Y239-I273 HydrophobicContact CE1-CG2 4.26Å; I273-R279 CarbonylContact O-C 3.32Å; I273-R279 WeakPolarHBondContact O-CA 3.42Å; I273-M280 PolarHBondContact N-O 2.8Å; I273-M280 PolarHBondContact O-N 3.11Å; I273-T282 HydrophobicContact CD1-CG2 3.87Å
274S91.7Very high90.2Very high30 Ų3064.7 Ų64.721%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-127.6143.5-176.458.40000112.2R238 E278R238-S274 PolarHBondContact N-O 3.45Å; R238-S274 PolarHBondContact O-N 3.06Å; S274-E278 WeakPolarHBondContact CA-O 3.31Å
275S85.9Confident90.4Very high21 Ų2158.5 Ų58.515%0.14728%0.283CS..  trans-115.6177.3164.5-174.90000108.6P235 T277 E278P235-S275 WeakPolarHBondContact CD-OG 3.39Å; S275-T277 PolarHBondContact O-N 3.41Å; S275-T277 VanDerWaalsContact O-N 3.08Å; S275-E278 PolarHBondContact N-O 3.09Å
276S78.6Confident90.4Very high98 Ų9860.1 Ų60.169%0.68529%0.293SS*.SBendtrans-59.8-20.4179.451.50000113.9P235P235-S276 WeakPolarHBondContact CG-OG 3.4Å
277T76.3Confident90.5Very high120 Ų12056 Ų5674%0.73627%0.274SS*.SBendtrans-126.5-15-174.150.50000114.4S275S275-T277 PolarHBondContact O-N 3.41Å; S275-T277 VanDerWaalsContact O-N 3.08Å
278E85.3Confident90.2Very high68 Ų6858.1 Ų58.132%0.31829%0.285SS..  trans-136.8150.9-168.6-68.2178.1170.600110.9L208 S274 S275L208-E278 HydrophobicContact CB-CB 4.22Å; L208-E278 WeakPolarHBondContact CB-OE2 3.37Å; L208-E278 HydrophobicContact CD2-CB 4.23Å; L208-E278 PolarHBondContact N-OE2 3.39Å; S274-E278 WeakPolarHBondContact CA-O 3.31Å; S275-E278 PolarHBondContact N-O 3.09Å
279R89.8Confident89.7Confident184 Ų18452 Ų5269%0.69426%0.262SS*.EExtended strand (participates in β ladder)trans-136.5141173.5-61.8-171.8-175.9-164.77.7110.2E272 I273E272-R279 WeakPolarHBondContact OE1-CD 3.3Å; E272-R279 IonicContact OE1-CZ 3.57Å; E272-R279 IonicContact OE1-NH1 3.42Å; E272-R279 PolarHBondContact OE1-NH1 2.83Å; E272-R279 VanDerWaalsContact OE1-NH1 3.11Å; I273-R279 CarbonylContact O-C 3.32Å; I273-R279 WeakPolarHBondContact O-CA 3.42Å
280M89.8Confident88.6Confident65 Ų6553.6 Ų53.632%0.3228%0.276SS..EExtended strand (participates in β ladder)trans-140.9156.3178.6-70.6-177.359.400110.2L208 L210 I273L208-M280 HydrophobicContact CD2-CB 4.33Å; L208-M280 HydrophobicContact CD2-CG 4.1Å; L208-M280 HydrophobicContact CD2-SD 4.25Å; L208-M280 HydrophobicContact CG-SD 4.08Å; L210-M280 HydrophobicContact CB-CE 3.78Å; I273-M280 PolarHBondContact N-O 2.8Å; I273-M280 PolarHBondContact O-N 3.11Å
281W93.8Very high86.9Confident105 Ų10554 Ų5440%0.39829%0.288SS..EExtended strand (participates in β ladder)trans-116.3146174.4-68.388.8000109.9H242 R270 E272H242-W281 AromaticContact CD2-CH2 3.92Å; H242-W281 AromaticContact CD2-CZ3 3.7Å; H242-W281 AromaticContact CE1-CH2 3.88Å; H242-W281 AromaticContact NE2-CH2 3.69Å; H242-W281 AromaticContact NE2-CZ3 3.97Å; R270-W281 HydrophobicContact CG-CE3 3.88Å; R270-W281 HydrophobicContact CG-CZ3 3.96Å; R270-W281 VanDerWaalsContact NE-CZ3 3.34Å; E272-W281 HydrophobicContact CB-CD2 4.28Å; E272-W281 HydrophobicContact CB-CE3 3.95Å; E272-W281 HydrophobicContact CB-CH2 3.64Å; E272-W281 HydrophobicContact CB-CZ2 3.98Å; E272-W281 HydrophobicContact CB-CZ3 3.62Å; E272-W281 HydrophobicContact CG-CD2 4.35Å; E272-W281 HydrophobicContact CG-CH2 3.97Å; E272-W281 HydrophobicContact CG-CZ2 3.78Å; E272-W281 HydrophobicContact CG-CZ3 4.33Å
282T94.2Very high84.6Confident11 Ų1161 Ų617%0.06731%0.314CS..PPolyproline II helixtrans-72169.8164.366.50000110.8L210 P214 C229 C271 I273L210-T282 HydrophobicContact CD1-CG2 4.23Å; L210-T282 HydrophobicContact CD2-CG2 4.32Å; P214-T282 HydrophobicContact CG-CG2 4.41Å; C229-T282 HydrophobicContact CB-CG2 3.77Å; C271-T282 HydrophobicContact CB-CG2 3.85Å; C271-T282 PolarHBondContact N-OG1 3Å; C271-T282 PolarHBondContact O-N 2.99Å; I273-T282 HydrophobicContact CD1-CG2 3.87Å
283N89.3Confident82.2Confident66 Ų6665.3 Ų65.335%0.35334%0.337SS..PPolyproline II helixtrans-57.2153.1158.262.4-48.2000109.7H213 P214 V285H213-N283 VanDerWaalsContact CB-OD1 3.26Å; H213-N283 WeakPolarHBondContact CB-OD1 3.46Å; H213-N283 PolarHBondContact ND1-OD1 2.77Å; P214-N283 WeakPolarHBondContact CD-OD1 3.19Å; P214-N283 PolarHBondContact O-ND2 3.33Å; N283-V285 WeakPolarHBondContact ND2-CG1 3.3Å
284E89.9Confident79.3Confident72 Ų7270.2 Ų70.234%0.33637%0.372SS..PPolyproline II helixtrans-82.8135.1171-159.2161.9113.300108.5R268 Y269 R270R268-E284 HydrophobicContact CB-CG 3.83Å; R268-E284 WeakPolarHBondContact CD-OE1 3.14Å; R268-E284 HydrophobicContact CG-CG 4.34Å; R268-E284 IonicContact CZ-OE1 3.13Å; R268-E284 VanDerWaalsContact CZ-OE1 3.32Å; R268-E284 IonicContact NE-OE1 3.06Å; R268-E284 PolarHBondContact NE-OE1 3.18Å; R268-E284 IonicContact NH1-OE1 2.79Å; R268-E284 PolarHBondContact NH1-OE1 3.08Å; Y269-E284 WeakPolarHBondContact O-CA 3.26Å; R270-E284 HydrophobicContact CB-CB 4.49Å; R270-E284 HydrophobicContact CB-CG 4.44Å; R270-E284 WeakPolarHBondContact CD-OE2 3.41Å; R270-E284 IonicContact CZ-OE2 2.75Å; R270-E284 IonicContact NH1-OE2 3.97Å; R270-E284 PolarHBondContact NH1-OE2 2.63Å
285V90.6Very high76.5Confident2 Ų274 Ų741%0.01239%0.394CS..EExtended strand (participates in β ladder)trans-125.4147.1179.8-64.20000111P214 L227 R268 Y269 N283P214-V285 HydrophobicContact CB-CG1 3.97Å; P214-V285 HydrophobicContact CB-CG2 3.83Å; P214-V285 HydrophobicContact CG-CG1 3.94Å; P214-V285 HydrophobicContact CG-CG2 4.12Å; P214-V285 WeakPolarHBondContact O-CG1 3.33Å; L227-V285 HydrophobicContact CD1-CG2 4.04Å; L227-V285 HydrophobicContact CD2-CG2 4.19Å; R268-V285 CarbonylContact C-O 3.52Å; R268-V285 WeakPolarHBondContact CA-O 3.26Å; Y269-V285 PolarHBondContact N-O 2.85Å; Y269-V285 WeakPolarHBondContact O-CG2 3.5Å; Y269-V285 PolarHBondContact O-N 2.75Å; N283-V285 WeakPolarHBondContact ND2-CG1 3.3Å
286D88.1Confident73.6Confident80 Ų8081.6 Ų81.643%0.42843%0.427SS..EExtended strand (participates in β ladder)trans-92.2127.3179.3-66.3-63.5000110S216 Q217 R268S216-D286 CarbonylContact C-O 3.54Å; S216-D286 WeakPolarHBondContact CA-O 3.5Å; S216-D286 WeakPolarHBondContact CB-O 3.36Å; S216-D286 PolarHBondContact OG-N 2.83Å; S216-D286 VanDerWaalsContact OG-N 3.12Å; Q217-D286 PolarHBondContact N-O 3.18Å; R268-D286 WeakPolarHBondContact CG-OD1 3.22Å
287V90.6Very high71.4Confident0 Ų083.9 Ų83.90%043%0.43CS..EExtended strand (participates in β ladder)trans-110107.5168.7174.90000107.9Q217 L219 L225 L227 H266 G267 Y269 I289Q217-V287 CarbonylContact O-C 3.54Å; Q217-V287 WeakPolarHBondContact O-CA 3.34Å; L219-V287 HydrophobicContact CD1-CG1 4.43Å; L225-V287 HydrophobicContact CD1-CB 4.25Å; L225-V287 HydrophobicContact CD1-CG1 3.6Å; L225-V287 HydrophobicContact CD1-CG2 3.59Å; L225-V287 HydrophobicContact CD2-CG1 3.92Å; L225-V287 HydrophobicContact CD2-CG2 4.13Å; L225-V287 HydrophobicContact CG-CG1 4.32Å; L227-V287 HydrophobicContact CD1-CG2 3.86Å; L227-V287 HydrophobicContact CD2-CG2 4.07Å; L227-V287 HydrophobicContact CG-CG2 4.29Å; H266-V287 WeakPolarHBondContact CA-O 3.37Å; H266-V287 PolarHBondContact CD2-O 3.22Å; G267-V287 PolarHBondContact N-O 2.71Å; G267-V287 VanDerWaalsContact N-O 3.16Å; G267-V287 PolarHBondContact O-N 3.15Å; Y269-V287 HydrophobicContact CD2-CB 3.67Å; Y269-V287 HydrophobicContact CD2-CG2 3.4Å; Y269-V287 HydrophobicContact CE2-CB 3.55Å; Y269-V287 HydrophobicContact CE2-CG1 4.21Å; Y269-V287 HydrophobicContact CE2-CG2 3.71Å; Y269-V287 HydrophobicContact CG-CG2 4.08Å; V287-I289 HydrophobicContact CG1-CG1 4.32Å
288V85.1Confident69.2Low53 Ų5383.9 Ų83.932%0.32144%0.435SS..EExtended strand (participates in β ladder)trans-99.8127.1-179.9-176.20000108.5Q217 R218 L219Q217-V288 PolarHBondContact O-N 3.04Å; R218-V288 WeakPolarHBondContact CA-O 3.46Å; R218-V288 HydrophobicContact CG-CB 4.27Å; L219-V288 PolarHBondContact N-O 3.15Å
289I82.3Confident66.4Low2 Ų283.2 Ų83.21%0.0145%0.446CS..EExtended strand (participates in β ladder)trans-110.3114.9176-60.7167.4000108.7L219 V221 V261 M262 Q263 H265 V287L219-I289 CarbonylContact O-C 3.58Å; L219-I289 WeakPolarHBondContact O-CA 3.47Å; V221-I289 HydrophobicContact CG2-CG2 3.77Å; V261-I289 HydrophobicContact CB-CD1 3.66Å; V261-I289 HydrophobicContact CB-CG1 4.23Å; V261-I289 HydrophobicContact CG1-CD1 4.48Å; V261-I289 HydrophobicContact CG2-CD1 3.99Å; V261-I289 HydrophobicContact CG2-CG1 4.02Å; V261-I289 HydrophobicContact CG2-CG2 4.01Å; M262-I289 WeakPolarHBondContact O-CD1 3.33Å; Q263-I289 PolarHBondContact NE2-O 3.28Å; Q263-I289 VanDerWaalsContact NE2-O 3.1Å; Q263-I289 PolarHBondContact OE1-O 3.4Å; H265-I289 HydrophobicContact CB-CD1 3.35Å; V287-I289 HydrophobicContact CG1-CG1 4.32Å
290A73.6Confident63.7Low35 Ų3579.8 Ų79.829%0.28946%0.457SS..EExtended strand (participates in β ladder)trans-93.9149176.500000110.7L219 H220 V221L219-A290 PolarHBondContact O-N 3Å; H220-A290 CarbonylContact C-O 3.56Å; H220-A290 WeakPolarHBondContact CA-O 3.06Å; V221-A290 PolarHBondContact N-O 2.77Å
291P62.9Low60.9Low86 Ų8684.9 Ų84.956%0.55848%0.482SS*.  trans-65138.7172.325.1-31.1000111.1I293P291-I293 PolarHBondContact O-N 3.32Å
292R48.4Very low58Low147 Ų14789.3 Ų89.356%0.55551%0.507SS*.  trans-74110.3167.4-86-168.9175.7169-5.9108.8H220 V221 E223H220-R292 HydrophobicContact CB-CB 4.47Å; H220-R292 HydrophobicContact CB-CG 3.4Å; V221-R292 WeakPolarHBondContact O-CD 3.34Å; V221-R292 WeakPolarHBondContact O-CG 3.4Å; V221-R292 PolarHBondContact O-NE 3.39Å; E223-R292 IonicContact OE1-NH2 3.39Å
293I46.3Very low54.7Low125 Ų12593.8 Ų93.864%0.64154%0.538SS*.  trans-90.9102.4167-58.2174000106.8P291 V295P291-I293 PolarHBondContact O-N 3.32Å; I293-V295 HydrophobicContact CG2-CG2 4.08Å; I293-V295 PolarHBondContact O-N 3.29Å
294S33.3Very low52Low105 Ų10595.7 Ų95.773%0.73456%0.556SS**  trans-79.2100.8166.355.90000108.3Q296S294-Q296 PolarHBondContact O-N 3.48Å
295V32.1Very low49.6Very low110 Ų11099.8 Ų99.867%0.66758%0.576SS**  trans-73.2103.2165.9-174.60000107I293 I297I293-V295 HydrophobicContact CG2-CG2 4.08Å; I293-V295 PolarHBondContact O-N 3.29Å; V295-I297 HydrophobicContact CB-CG1 4.49Å; V295-I297 HydrophobicContact CG1-CG1 3.68Å; V295-I297 PolarHBondContact O-N 3.36Å
296Q26.5Very low46.9Very low179 Ų179107.1 Ų107.184%0.83662%0.615SS**  trans-7599.3161.9-79.4-167.3-33.300107.5S294 S298S294-Q296 PolarHBondContact O-N 3.48Å; Q296-S298 VanDerWaalsContact C-N 3.35Å; Q296-S298 PolarHBondContact O-N 2.94Å; Q296-S298 VanDerWaalsContact O-N 3.08Å
297I31.5Very low44.3Very low146 Ų146111 Ų11175%0.74964%0.636SS**  trans-76.291.8170-55175.6000106.8V295V295-I297 HydrophobicContact CB-CG1 4.49Å; V295-I297 HydrophobicContact CG1-CG1 3.68Å; V295-I297 PolarHBondContact O-N 3.36Å
298S29.4Very low41.6Very low120 Ų120116.8 Ų116.884%0.83967%0.665SS**  trans-95.594.6160.160.70000107.9Q296Q296-S298 VanDerWaalsContact C-N 3.35Å; Q296-S298 PolarHBondContact O-N 2.94Å; Q296-S298 VanDerWaalsContact O-N 3.08Å
299G27.6Very low39.1Very low55 Ų55124.8 Ų124.857%0.56769%0.691SS**  trans179.697.1176.700000109.6M301G299-M301 PolarHBondContact O-N 3.09Å
300A33.3Very low36.6Very low111 Ų111129.2 Ų129.292%0.91773%0.728SS**  trans-60120.1174.400000109.8
301M29.5Very low34.8Very low172 Ų172134.1 Ų134.185%0.84775%0.748SS**  trans-123.9110.9162.6-164.499.9-175.500105.3G299 C303G299-M301 PolarHBondContact O-N 3.09Å; M301-C303 PolarHBondContact O-N 3.16Å
302E32.8Very low33.1Very low198 Ų198132.7 Ų132.793%0.92575%0.749SS**  trans-66.6115.8171.9-74.1177.5158.400108.5
303C26.4Very low32.6Very low105 Ų105129 Ų12971%0.70976%0.757SS**  trans-102.2129.6164.8-67.50000108.1M301M301-C303 PolarHBondContact O-N 3.16Å
304S32.1Very low31.9Very low106 Ų106131.4 Ų131.474%0.74177%0.771SS**  trans-65.7147.4175.646.20000112.5D306S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.41Å
305E38.5Very low31.7Very low159 Ų159130 Ų13074%0.74376%0.761SS**THydrogen-bonded Turntrans-70.39.2-163.2-73.9-171.8140.500118.1
306D35.5Very low31.7Very low155 Ų155128.8 Ų128.883%0.82976%0.756SS**THydrogen-bonded Turntrans-98.8-2.9-169.7-76.1-29.1000116.9S304S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.41Å
307D33Very low32.1Very low162 Ų162128.6 Ų128.687%0.86676%0.756SS**SBendtrans-108.96.4172.2-76.5-37.5000114Y309D307-Y309 PolarHBondContact O-N 3.15Å
308I34Very low32.3Very low121 Ų121128.7 Ų128.762%0.62176%0.757SS**SBendtrans-97.740.1179.9-46.6-179.9000110.7
309Y32.5Very low32.2Very low222 Ų222130.8 Ų130.887%0.87175%0.751SS**SBendtrans-144.754.1171.6-77.3-76.1000112.8D307D307-Y309 PolarHBondContact O-N 3.15Å
310A30.2Very low32.5Very low94 Ų94134.4 Ų134.478%0.77776%0.757SS**SBendtrans-145.523.8161.300000114.2
311I35Very low32.4Very low138 Ų138136.2 Ų136.271%0.70875%0.751SS**  trans-127.682.2170.7-52.8-178.2000108.3G313I311-G313 PolarHBondContact O-N 3Å
312G27.9Very low32.5Very low56 Ų56132.5 Ų132.558%0.57774%0.742SS**  trans-64.2124.9159.500000108.4
313G36.6Very low32.4Very low71 Ų71129 Ų12973%0.73273%0.729SS**SBendtrans-51151.7178.500000113I311I311-G313 PolarHBondContact O-N 3Å
314D31.5Very low33Very low175 Ų175128.1 Ų128.194%0.93672%0.722SS**SBendtrans84.523169-136.920.7000118
315S30.9Very low33.9Very low76 Ų76129 Ų12953%0.53172%0.715SS.*  trans-140.611.5173.353.10000116.9
316C32.1Very low34.9Very low83 Ų83125.3 Ų125.356%0.56170%0.697SS**SBendtrans-89-10.9173.8-77.10000114.9
317E34.6Very low37.1Very low176 Ų176119.1 Ų119.182%0.82266%0.664SS**THydrogen-bonded Turntrans-83.4-8.9179.6-71.8-156.3160.300114.7
318L35.5Very low39.7Very low148 Ų148117 Ų11778%0.77564%0.644SS**THydrogen-bonded Turntrans-97.7-3.7-178.9-81.4161.8000114.8
319F27.5Very low42.4Very low164 Ų164111.2 Ų111.272%0.71962%0.615SS**SBendtrans-107.6-6-179.1-82.8-81.8000115.3
320L32.2Very low45.1Very low130 Ų130102.1 Ų102.168%0.68158%0.583SS**SBendtrans-101.10.1177.6-69175.6000114.6L323L320-L323 HydrophobicContact CD2-CD1 4.12Å
321N32.5Very low48Very low149 Ų14998.2 Ų98.280%0.79755%0.549SS*.SBendtrans-94.414.7178.5-76.6-30.7000114.2
322S30.8Very low50.9Low95 Ų9591.7 Ų91.766%0.66452%0.515SS*.SBendtrans-133.711.4179.260.80000115
323L30.9Very low54.1Low125 Ų12589 Ų8965%0.65449%0.488SS*.SBendtrans-87.6132.3170-69.9164.7000109.1L320 E325L320-L323 HydrophobicContact CD2-CD1 4.12Å; L323-E325 PolarHBondContact O-N 3.48Å
324P39.3Very low57Low86 Ų8685.7 Ų85.756%0.55845%0.453SS*.  trans-54.7136.8174.622.1-29.9000109Q326P324-Q326 VanDerWaalsContact C-N 3.3Å; P324-Q326 PolarHBondContact O-N 3.48Å
325E50.1Low60.2Low125 Ų12577.4 Ų77.458%0.58441%0.409SS*.  trans-53.297.2171.7-75.5-173.5151.700108.5R218 L323 L327R218-E325 VanDerWaalsContact CZ-CD 3.48Å; R218-E325 IonicContact CZ-OE1 3.12Å; R218-E325 IonicContact CZ-OE2 2.66Å; R218-E325 IonicContact NE-OE1 3.1Å; R218-E325 PolarHBondContact NE-OE1 3.5Å; R218-E325 IonicContact NE-OE2 3.12Å; R218-E325 IonicContact NH2-OE1 3.93Å; R218-E325 PolarHBondContact NH2-OE1 3.15Å; R218-E325 IonicContact NH2-OE2 3.92Å; R218-E325 PolarHBondContact NH2-OE2 3.35Å; L323-E325 PolarHBondContact O-N 3.48Å; E325-L327 PolarHBondContact O-N 2.97Å
326Q61.3Low63.4Low80 Ų8073.8 Ų73.837%0.37438%0.384SS..  trans-69.3118.2177.9-163.7102.834.100106.6P324 Y328 P551P324-Q326 VanDerWaalsContact C-N 3.3Å; P324-Q326 PolarHBondContact O-N 3.48Å; Q326-Y328 HydrophobicContact CB-CE2 4.48Å; Q326-Y328 VanDerWaalsContact O-CD2 3.3Å; Q326-Y328 WeakPolarHBondContact O-CD2 3.47Å; Q326-Y328 WeakPolarHBondContact O-CE2 3.12Å; Q326-P551 HydrophobicContact CG-CG 3.58Å
327L81.4Confident66.6Low26 Ų2669.9 Ų69.914%0.13636%0.357CS..  trans-78.6152.4171.3-66.2176.6000108.6E325 E544 R545 R546 D550 P551E325-L327 PolarHBondContact O-N 2.97Å; L327-E544 HydrophobicContact CD1-CB 4.02Å; L327-R545 VanDerWaalsContact CD1-C 3.45Å; L327-R545 HydrophobicContact CD1-CB 4.49Å; L327-R545 WeakPolarHBondContact CD1-O 3.2Å; L327-R546 HydrophobicContact CD1-CB 4.46Å; L327-R546 HydrophobicContact CD1-CG 3.65Å; L327-D550 WeakPolarHBondContact O-CB 3.34Å; L327-P551 WeakPolarHBondContact O-CD 3.19Å
328Y86.8Confident69.6Low116 Ų11661.5 Ų61.546%0.45532%0.318SS..  trans-121.9145.6-178.1-57.7-93.5000110.1Q326 P551 L553Q326-Y328 HydrophobicContact CB-CE2 4.48Å; Q326-Y328 VanDerWaalsContact O-CD2 3.3Å; Q326-Y328 WeakPolarHBondContact O-CD2 3.47Å; Q326-Y328 WeakPolarHBondContact O-CE2 3.12Å; Y328-P551 VanDerWaalsContact CA-O 3.31Å; Y328-P551 WeakPolarHBondContact CA-O 3.5Å; Y328-P551 HydrophobicContact CD1-CB 4.01Å; Y328-P551 HydrophobicContact CD1-CG 3.49Å; Y328-P551 VanDerWaalsContact CD1-CG 3.49Å; Y328-P551 HydrophobicContact CE1-CB 4.17Å; Y328-P551 HydrophobicContact CE1-CG 3.48Å; Y328-P551 VanDerWaalsContact CE1-CG 3.48Å; Y328-P551 HydrophobicContact CG-CG 4.44Å; Y328-L553 HydrophobicContact CD1-CB 3.89Å; Y328-L553 HydrophobicContact CD1-CD1 4.02Å; Y328-L553 HydrophobicContact CE1-CD1 4.17Å; Y328-L553 HydrophobicContact CG-CB 4.08Å; Y328-L553 HydrophobicContact CG-CD1 4.47Å
329A91.2Very high72.5Confident1 Ų154.4 Ų54.41%0.00828%0.281CS..BIsolated β-bridgetrans-95.9143165.500000109.1D331 K332 Y396 P551 I552 L553A329-D331 VanDerWaalsContact C-N 3.31Å; A329-K332 HydrophobicContact CB-CD 3.99Å; A329-K332 HydrophobicContact CB-CG 3.58Å; A329-Y396 HydrophobicContact CB-CD1 3.65Å; A329-Y396 HydrophobicContact CB-CD2 3.82Å; A329-Y396 HydrophobicContact CB-CE1 3.78Å; A329-Y396 HydrophobicContact CB-CE2 3.96Å; A329-Y396 HydrophobicContact CB-CG 3.67Å; A329-P551 PolarHBondContact N-O 2.92Å; A329-I552 CarbonylContact O-C 3.58Å; A329-I552 VanDerWaalsContact O-CA 3.28Å; A329-I552 WeakPolarHBondContact O-CA 3.22Å; A329-L553 PolarHBondContact O-N 3Å
330T89.6Confident75.7Confident30 Ų3047.1 Ų47.118%0.18425%0.249CC..SBendtrans-72.9-32.3172.7-47.70000111.6K393 G394 I552T330-K393 PolarHBondContact OG1-O 3.44Å; T330-G394 PolarHBondContact N-O 2.79Å; T330-G394 WeakPolarHBondContact OG1-CA 3.38Å; T330-I552 WeakPolarHBondContact O-CG2 3.27Å
331D91.2Very high78.7Confident12 Ų1243.6 Ų43.66%0.06424%0.236CC..  trans-159.4167168.8-156.5-9.6000107.8A329 K368 V395 Y396A329-D331 VanDerWaalsContact C-N 3.31Å; D331-K368 WeakPolarHBondContact OD1-CE 3.32Å; D331-K368 IonicContact OD1-NZ 3.95Å; D331-K368 WeakPolarHBondContact OD2-CE 3.2Å; D331-K368 IonicContact OD2-NZ 2.97Å; D331-K368 PolarHBondContact OD2-NZ 2.63Å; D331-V395 HydrophobicContact CB-CG1 4.27Å; D331-V395 HydrophobicContact CB-CG2 3.89Å; D331-V395 WeakPolarHBondContact O-CA 3.39Å; D331-Y396 PolarHBondContact O-N 3.42Å
332K94.8Very high81.7Confident2 Ų236.8 Ų36.81%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-130.1117.5177.4-61.7-165-64.2-169.30110A329 L365 F367 K368 Y396 L548 D550 I552A329-K332 HydrophobicContact CB-CD 3.99Å; A329-K332 HydrophobicContact CB-CG 3.58Å; K332-L365 WeakPolarHBondContact CE-O 3.29Å; K332-L365 PolarHBondContact NZ-O 3.3Å; K332-F367 HydrophobicContact CB-CB 4.46Å; K332-F367 HydrophobicContact CB-CD1 3.69Å; K332-F367 HydrophobicContact CB-CD2 3.97Å; K332-F367 HydrophobicContact CB-CE1 3.79Å; K332-F367 HydrophobicContact CB-CE2 4.06Å; K332-F367 HydrophobicContact CB-CG 3.78Å; K332-F367 HydrophobicContact CB-CZ 3.97Å; K332-F367 HydrophobicContact CD-CD2 4.24Å; K332-F367 HydrophobicContact CD-CE2 3.75Å; K332-F367 HydrophobicContact CD-CZ 3.96Å; K332-F367 HydrophobicContact CG-CE2 4.42Å; K332-F367 HydrophobicContact CG-CZ 4.32Å; K332-F367 WeakPolarHBondContact O-CA 3.3Å; K332-K368 PolarHBondContact O-N 3Å; K332-Y396 HydrophobicContact CD-CD2 4.21Å; K332-Y396 HydrophobicContact CG-CD2 4.45Å; K332-Y396 HydrophobicContact CG-CG 4.48Å; K332-L548 PolarHBondContact NZ-O 2.85Å; K332-D550 PolarHBondContact NZ-O 3.5Å; K332-I552 HydrophobicContact CB-CD1 4.24Å; K332-I552 HydrophobicContact CD-CG1 4.28Å; K332-I552 HydrophobicContact CG-CD1 4.11Å; K332-I552 HydrophobicContact CG-CG1 3.98Å
333V95.4Very high84.7Confident0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-129.7134-173.3-173.90000109.7K368 F387 L390 L391 V395 Y396 G397 L398V333-K368 CarbonylContact C-O 3.6Å; V333-K368 WeakPolarHBondContact CA-O 3.44Å; V333-K368 HydrophobicContact CG2-CB 4.44Å; V333-F387 HydrophobicContact CB-CE2 4.41Å; V333-F387 HydrophobicContact CG1-CD2 3.89Å; V333-F387 HydrophobicContact CG1-CE2 3.97Å; V333-L390 HydrophobicContact CG1-CB 3.95Å; V333-L390 HydrophobicContact CG1-CD1 3.78Å; V333-L390 HydrophobicContact CG2-CB 4.18Å; V333-L391 HydrophobicContact CB-CD2 4.18Å; V333-V395 HydrophobicContact CB-CG1 4.4Å; V333-V395 HydrophobicContact CG2-CG1 3.94Å; V333-Y396 PolarHBondContact N-O 2.88Å; V333-G397 WeakPolarHBondContact O-CA 3.45Å; V333-L398 PolarHBondContact O-N 2.84Å
334A97.8Very high87.8Confident0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-130.8140.9177.800000112.4L336 L362 F367 K368 V369 V370 L398A334-L336 HydrophobicContact CB-CD1 3.79Å; A334-L362 HydrophobicContact CB-CD1 4.03Å; A334-F367 HydrophobicContact CB-CD1 3.89Å; A334-K368 PolarHBondContact N-O 2.75Å; A334-V369 HydrophobicContact CB-CG1 4.27Å; A334-V369 HydrophobicContact CB-CG2 4.22Å; A334-V369 WeakPolarHBondContact O-CA 3.48Å; A334-V370 PolarHBondContact O-N 3.09Å; A334-L398 CarbonylContact C-O 3.51Å; A334-L398 WeakPolarHBondContact CA-O 3.32Å; A334-L398 HydrophobicContact CB-CB 4.11Å; A334-L398 HydrophobicContact CB-CD2 4.13Å
335L97.9Very high90.4Very high2 Ų233.5 Ų33.51%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-117.2121.6168.3174.361.8000108.6I337 V370 L372 A383 V384 F387 L398 L399 Y400L335-I337 HydrophobicContact CD1-CG1 4.22Å; L335-I337 HydrophobicContact CD2-CD1 4.15Å; L335-I337 HydrophobicContact CG-CD1 4.29Å; L335-I337 HydrophobicContact CG-CG1 4.18Å; L335-V370 HydrophobicContact CD1-CB 4.01Å; L335-V370 HydrophobicContact CD1-CG1 4.41Å; L335-L372 HydrophobicContact CD1-CD1 4.15Å; L335-A383 HydrophobicContact CD1-CB 4.46Å; L335-A383 HydrophobicContact CD2-CB 4.46Å; L335-V384 HydrophobicContact CD2-CG2 4.02Å; L335-F387 HydrophobicContact CB-CB 4.09Å; L335-F387 HydrophobicContact CB-CD1 4.49Å; L335-F387 HydrophobicContact CB-CD2 3.72Å; L335-F387 HydrophobicContact CB-CE2 4.23Å; L335-F387 HydrophobicContact CB-CG 3.85Å; L335-F387 HydrophobicContact CD2-CB 3.77Å; L335-F387 HydrophobicContact CD2-CD1 4.48Å; L335-F387 HydrophobicContact CD2-CG 4.15Å; L335-F387 HydrophobicContact CG-CB 4.48Å; L335-L398 PolarHBondContact N-O 2.82Å; L335-L399 HydrophobicContact CB-CD1 3.89Å; L335-L399 HydrophobicContact CD2-CD1 3.75Å; L335-L399 HydrophobicContact CG-CD1 3.81Å; L335-L399 WeakPolarHBondContact O-CA 3.42Å; L335-Y400 PolarHBondContact O-N 3.22Å
336L98.6Very high92.5Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-116.2122.7179-7854.5000108.3A334 V355 L358 T359 L362 V369 V370 S371 L372 L398 Y400A334-L336 HydrophobicContact CB-CD1 3.79Å; L336-V355 HydrophobicContact CB-CG1 3.93Å; L336-V355 HydrophobicContact CD2-CG1 4.37Å; L336-L358 HydrophobicContact CD2-CB 3.86Å; L336-T359 VanDerWaalsContact CD2-OG1 3.27Å; L336-T359 WeakPolarHBondContact CD2-OG1 3.41Å; L336-L362 HydrophobicContact CD1-CD1 3.79Å; L336-L362 HydrophobicContact CD2-CD1 4.21Å; L336-V369 HydrophobicContact CD1-CG1 3.72Å; L336-V369 HydrophobicContact CD2-CG1 3.97Å; L336-V369 HydrophobicContact CG-CG1 4.35Å; L336-V370 PolarHBondContact N-O 3.3Å; L336-S371 WeakPolarHBondContact O-CA 3.18Å; L336-L372 PolarHBondContact O-N 2.93Å; L336-L398 HydrophobicContact CD1-CD2 4.31Å; L336-Y400 WeakPolarHBondContact CA-O 3.47Å; L336-Y400 HydrophobicContact CB-CD1 4.24Å; L336-Y400 HydrophobicContact CG-CD1 3.98Å; L336-Y400 HydrophobicContact CG-CG 4.34Å
337I98.6Very high93.9Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-120.7125.5177.7-60.3171.3000109.1L335 L372 L375 M380 Y400 Y401 A402L335-I337 HydrophobicContact CD1-CG1 4.22Å; L335-I337 HydrophobicContact CD2-CD1 4.15Å; L335-I337 HydrophobicContact CG-CD1 4.29Å; L335-I337 HydrophobicContact CG-CG1 4.18Å; I337-L372 WeakPolarHBondContact CA-O 3.32Å; I337-L375 HydrophobicContact CD1-CD1 4.15Å; I337-L375 HydrophobicContact CG1-CD1 4.1Å; I337-L375 HydrophobicContact CG2-CD1 4.07Å; I337-L375 HydrophobicContact CG2-CG 4.38Å; I337-M380 HydrophobicContact CD1-CE 4.08Å; I337-M380 HydrophobicContact CG2-CE 4.23Å; I337-Y400 PolarHBondContact N-O 3.38Å; I337-Y401 HydrophobicContact CB-CD2 4.07Å; I337-Y401 HydrophobicContact CG2-CD2 4.02Å; I337-Y401 HydrophobicContact CG2-CE2 4.2Å; I337-Y401 WeakPolarHBondContact O-CA 3.32Å; I337-A402 PolarHBondContact O-N 2.81Å
338G98Very high94.4Very high0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-118.1112.8172.900000110.6L340 L372 L373 D374 A402G338-L340 WeakPolarHBondContact O-CD1 3.4Å; G338-L372 PolarHBondContact N-O 2.79Å; G338-L373 CarbonylContact O-C 3.59Å; G338-L373 VanDerWaalsContact O-CA 3.23Å; G338-L373 WeakPolarHBondContact O-CA 3.18Å; G338-D374 PolarHBondContact O-N 3.08Å; G338-A402 WeakPolarHBondContact CA-O 3.42Å
339N97.8Very high94.3Very high0 Ų037.9 Ų37.90%020%0.195CC..  trans-106.2120.4176.8-77.2-8.9000109.9Y342 L375 M380 A402 V415 V417N339-Y342 HydrophobicContact CB-CE1 4.39Å; N339-Y342 HydrophobicContact CB-CE2 4.16Å; N339-Y342 WeakPolarHBondContact CB-OH 3Å; N339-Y342 VanDerWaalsContact O-CE2 3.28Å; N339-Y342 WeakPolarHBondContact O-CE2 3.19Å; N339-Y342 PolarHBondContact O-OH 3.17Å; N339-L375 PolarHBondContact OD1-N 3.44Å; N339-M380 PolarHBondContact ND2-SD 3.05Å; N339-A402 PolarHBondContact N-O 2.94Å; N339-V415 PolarHBondContact ND2-O 3.07Å; N339-V417 HydrophobicContact CB-CG1 3.78Å
340L94.1Very high94.3Very high10 Ų1038.2 Ų38.25%0.05220%0.198CC..  trans-120.9-49.8-172.8-62.295000112.3G338 Y342 Q347 L348 P351 M352 L373 D374G338-L340 WeakPolarHBondContact O-CD1 3.4Å; L340-Y342 WeakPolarHBondContact O-CD2 3.42Å; L340-Y342 PolarHBondContact O-N 2.77Å; L340-Q347 VanDerWaalsContact O-CA 3.27Å; L340-Q347 WeakPolarHBondContact O-CA 3.34Å; L340-L348 WeakPolarHBondContact CB-O 3.2Å; L340-L348 PolarHBondContact O-N 2.93Å; L340-P351 HydrophobicContact CD1-CB 3.93Å; L340-P351 HydrophobicContact CD2-CB 4.3Å; L340-P351 HydrophobicContact CG-CB 3.81Å; L340-P351 HydrophobicContact CG-CG 4.02Å; L340-M352 HydrophobicContact CD1-CB 4.42Å; L340-M352 HydrophobicContact CD2-CB 3.67Å; L340-L373 HydrophobicContact CD1-CD2 3.93Å; L340-D374 WeakPolarHBondContact CA-OD1 3.41Å; L340-D374 WeakPolarHBondContact CB-OD1 3.39Å; L340-D374 PolarHBondContact N-OD1 3.06Å
341S94.4Very high94.4Very high57 Ų5737 Ų3740%0.39919%0.19SC..  trans-94.462.6-164.6-51.70000111.7D374S341-D374 VanDerWaalsContact CB-OD2 3.26Å; S341-D374 WeakPolarHBondContact CB-OD2 3.26Å; S341-D374 PolarHBondContact N-OD1 2.91Å; S341-D374 PolarHBondContact OG-OD2 2.93Å
342Y95.9Very high94.5Very high5 Ų537.9 Ų37.92%0.0220%0.195CC..  trans-66.7135.3-179.6-65-94.8000112.2N339 L340 H345 L348 Y401 G403 H404 V415 P416N339-Y342 HydrophobicContact CB-CE1 4.39Å; N339-Y342 HydrophobicContact CB-CE2 4.16Å; N339-Y342 WeakPolarHBondContact CB-OH 3Å; N339-Y342 VanDerWaalsContact O-CE2 3.28Å; N339-Y342 WeakPolarHBondContact O-CE2 3.19Å; N339-Y342 PolarHBondContact O-OH 3.17Å; L340-Y342 WeakPolarHBondContact O-CD2 3.42Å; L340-Y342 PolarHBondContact O-N 2.77Å; Y342-H345 HydrophobicContact CD1-CB 4.36Å; Y342-H345 HydrophobicContact CG-CB 4.18Å; Y342-L348 HydrophobicContact CE2-CD1 4.06Å; Y342-L348 HydrophobicContact CE2-CG 4.35Å; Y342-Y401 PolarHBondContact OH-OH 3.46Å; Y342-G403 WeakPolarHBondContact OH-CA 3.09Å; Y342-H404 AromaticContact CD1-CD2 3.81Å; Y342-H404 AromaticContact CD2-CD2 3.48Å; Y342-H404 VanDerWaalsContact CD2-CD2 3.48Å; Y342-H404 WeakPolarHBondContact CD2-CD2 3.38Å; Y342-H404 AromaticContact CD2-NE2 3.92Å; Y342-H404 HydrophobicContact CE1-CB 3.98Å; Y342-H404 AromaticContact CE1-CD2 3.67Å; Y342-H404 AromaticContact CE2-CD2 3.36Å; Y342-H404 WeakPolarHBondContact CE2-CD2 3.37Å; Y342-H404 AromaticContact CG-CD2 3.74Å; Y342-H404 AromaticContact CZ-CD2 3.46Å; Y342-H404 VanDerWaalsContact CZ-CD2 3.46Å; Y342-H404 AromaticContact CZ-CG 3.98Å; Y342-H404 PolarHBondContact OH-N 2.95Å; Y342-V415 HydrophobicContact CE1-CG1 4.26Å; Y342-V415 WeakPolarHBondContact CE1-O 3.45Å; Y342-V415 PolarHBondContact OH-O 2.86Å; Y342-P416 WeakPolarHBondContact CE1-O 3.3Å
343Q94.4Very high94.3Very high131 Ų13138.2 Ų38.261%0.61220%0.196SC*.SBendtrans-73.3-41.9-179.1-62.9175.119.900112.2V417Q343-V417 PolarHBondContact N-O 2.84Å
344N95.6Very high94.2Very high78 Ų7838.3 Ų38.342%0.41720%0.197SC..SBendtrans-116.76.7-171.1-53.8-60.1000113.9A419 N421N344-A419 PolarHBondContact ND2-O 3.42Å; N344-N421 HydrophobicContact CB-CB 3.97Å; N344-N421 PolarHBondContact O-ND2 2.87Å
345H94.3Very high94.1Very high29 Ų2938.3 Ų38.313%0.13420%0.197CC..SBendtrans-137165.3-173.8-61.7-73.2000111Y342 Q347 A419 P420 Y423Y342-H345 HydrophobicContact CD1-CB 4.36Å; Y342-H345 HydrophobicContact CG-CB 4.18Å; H345-Q347 PolarHBondContact O-N 3.1Å; H345-A419 PolarHBondContact NE2-O 3.38Å; H345-P420 PolarHBondContact CE1-O 2.97Å; H345-P420 PolarHBondContact NE2-O 3.41Å; H345-Y423 AromaticContact CE1-CD1 3.38Å; H345-Y423 WeakPolarHBondContact CE1-CD1 3.48Å; H345-Y423 AromaticContact CE1-CE1 3.34Å; H345-Y423 WeakPolarHBondContact CE1-CE1 3.4Å; H345-Y423 AromaticContact ND1-CE1 3.87Å; H345-Y423 AromaticContact NE2-CD1 3.36Å; H345-Y423 WeakPolarHBondContact NE2-CD1 3.18Å; H345-Y423 AromaticContact NE2-CE1 3.65Å
346P92.6Very high93.9Very high93 Ų9339.4 Ų39.460%0.60420%0.201SC*.  trans-57.1135.3178.4-25.235.4000112.3H404P346-H404 PolarHBondContact O-NE2 2.87Å
347Q92.1Very high93.7Very high139 Ų13941.1 Ų41.165%0.6521%0.211SC*.  trans-74.6151.3175.6-63.5-176.52.900111.4L340 H345L340-Q347 VanDerWaalsContact O-CA 3.27Å; L340-Q347 WeakPolarHBondContact O-CA 3.34Å; H345-Q347 PolarHBondContact O-N 3.1Å
348L90.6Very high93.6Very high37 Ų3741.3 Ų41.319%0.19421%0.211CC..  trans-115.5161.9176.8-55.8174.8000110.1L340 Y342 P351L340-L348 WeakPolarHBondContact CB-O 3.2Å; L340-L348 PolarHBondContact O-N 2.93Å; Y342-L348 HydrophobicContact CE2-CD1 4.06Å; Y342-L348 HydrophobicContact CE2-CG 4.35Å; L348-P351 HydrophobicContact CB-CG 4.01Å; L348-P351 HydrophobicContact CD1-CG 4.27Å
349K86.6Confident93.4Very high169 Ų16941.4 Ų41.474%0.73521%0.212SC*.SBendtrans-124.2-37.5-179.5-65.1-175.7-179.9-176.20113.4E488K349-E488 PolarHBondContact N-OE2 2.88Å
350A89.3Confident93Very high8 Ų842.8 Ų42.87%0.06622%0.22CC..Hα-helixtrans-60.3-36.2-177.800000115.7M352 V353 D354 E488A350-M352 PolarHBondContact O-N 2.59Å; A350-V353 PolarHBondContact O-N 3.08Å; A350-V353 VanDerWaalsContact O-N 3.08Å; A350-D354 PolarHBondContact O-N 3.42Å; A350-D354 VanDerWaalsContact O-N 3.07Å; A350-E488 HydrophobicContact CB-CB 3.78Å; A350-E488 PolarHBondContact N-OE2 2.93Å
351P93.6Very high93.1Very high5 Ų543.4 Ų43.43%0.03222%0.223CC..Hα-helixtrans-56.8-30.4-171.1-28.134.5000114.9L340 L348 D354 V355 A402L340-P351 HydrophobicContact CD1-CB 3.93Å; L340-P351 HydrophobicContact CD2-CB 4.3Å; L340-P351 HydrophobicContact CG-CB 3.81Å; L340-P351 HydrophobicContact CG-CG 4.02Å; L348-P351 HydrophobicContact CB-CG 4.01Å; L348-P351 HydrophobicContact CD1-CG 4.27Å; P351-D354 PolarHBondContact O-N 2.69Å; P351-V355 WeakPolarHBondContact O-CB 3.35Å; P351-V355 VanDerWaalsContact O-CG2 3.23Å; P351-V355 WeakPolarHBondContact O-CG2 3.24Å; P351-V355 PolarHBondContact O-N 3.3Å; P351-A402 HydrophobicContact CB-CB 3.74Å; P351-A402 HydrophobicContact CG-CB 4.12Å
352M91.3Very high93.2Very high31 Ų3140.9 Ų40.915%0.15321%0.205CC..Hα-helixtrans-63-51.1178.3177.8-173.5-66.800111.3L340 A350 D354 Y356 L373 F596 L646L340-M352 HydrophobicContact CD1-CB 4.42Å; L340-M352 HydrophobicContact CD2-CB 3.67Å; A350-M352 PolarHBondContact O-N 2.59Å; M352-D354 VanDerWaalsContact C-N 3.32Å; M352-Y356 WeakPolarHBondContact O-CB 3.49Å; M352-Y356 PolarHBondContact O-N 3.11Å; M352-Y356 VanDerWaalsContact O-N 3.13Å; M352-L373 HydrophobicContact CB-CD1 4.43Å; M352-L373 HydrophobicContact CE-CD1 4.31Å; M352-L373 HydrophobicContact CG-CD1 4.1Å; M352-F596 HydrophobicContact CG-CE2 4.05Å; M352-F596 HydrophobicContact CG-CZ 3.84Å; M352-F596 WeakPolarHBondContact O-CZ 3.4Å; M352-L646 HydrophobicContact CG-CD1 3.92Å; M352-L646 HydrophobicContact SD-CD1 4.47Å
353V91.5Very high93Very high8 Ų844.1 Ų44.15%0.04822%0.217CC..Hα-helixtrans-67.9-38-179.9-171.30000110.4A350 Y356 D357 F494 L646A350-V353 PolarHBondContact O-N 3.08Å; A350-V353 VanDerWaalsContact O-N 3.08Å; V353-Y356 PolarHBondContact O-N 3.05Å; V353-D357 WeakPolarHBondContact O-CB 3.12Å; V353-D357 PolarHBondContact O-N 2.77Å; V353-F494 HydrophobicContact CG2-CB 3.76Å; V353-F494 HydrophobicContact CG2-CD1 4.2Å; V353-F494 HydrophobicContact CG2-CG 4.47Å; V353-L646 HydrophobicContact CG2-CD2 4.5Å
354D94.4Very high92.9Very high2 Ų243 Ų431%0.01121%0.212CC..Hα-helixtrans-66.2-48.1-178.4-71.7-18.1000112.6A350 P351 M352 Y356 L358 Y400 N496 G497 V500A350-D354 PolarHBondContact O-N 3.42Å; A350-D354 VanDerWaalsContact O-N 3.07Å; P351-D354 PolarHBondContact O-N 2.69Å; M352-D354 VanDerWaalsContact C-N 3.32Å; D354-Y356 VanDerWaalsContact C-N 3.32Å; D354-Y356 PolarHBondContact O-N 3.02Å; D354-L358 WeakPolarHBondContact O-CB 3.49Å; D354-L358 WeakPolarHBondContact O-CG 3.36Å; D354-L358 PolarHBondContact O-N 3.03Å; D354-Y400 WeakPolarHBondContact CB-OH 3.38Å; D354-N496 WeakPolarHBondContact OD1-CA 3.33Å; D354-N496 WeakPolarHBondContact OD1-CB 3.47Å; D354-N496 PolarHBondContact OD1-ND2 3.12Å; D354-G497 PolarHBondContact OD1-N 2.72Å; D354-G497 WeakPolarHBondContact OD2-CA 3.37Å; D354-G497 PolarHBondContact OD2-N 3.31Å; D354-V500 HydrophobicContact CB-CB 4.08Å; D354-V500 HydrophobicContact CB-CG1 4.26Å; D354-V500 HydrophobicContact CB-CG2 3.75Å; D354-V500 WeakPolarHBondContact OD1-CB 3.34Å
355V95.6Very high92.8Very high0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-61.8-42.2174.9169.80000110.6L336 P351 T359 L373 Y400 F596L336-V355 HydrophobicContact CB-CG1 3.93Å; L336-V355 HydrophobicContact CD2-CG1 4.37Å; P351-V355 WeakPolarHBondContact O-CB 3.35Å; P351-V355 VanDerWaalsContact O-CG2 3.23Å; P351-V355 WeakPolarHBondContact O-CG2 3.24Å; P351-V355 PolarHBondContact O-N 3.3Å; V355-T359 VanDerWaalsContact O-CB 3.27Å; V355-T359 WeakPolarHBondContact O-CB 3.36Å; V355-T359 PolarHBondContact O-N 3.04Å; V355-T359 PolarHBondContact O-OG1 3.38Å; V355-L373 HydrophobicContact CB-CD2 4.46Å; V355-Y400 HydrophobicContact CG2-CD1 4.19Å; V355-Y400 HydrophobicContact CG2-CE1 3.8Å; V355-F596 HydrophobicContact CB-CE1 4.12Å; V355-F596 HydrophobicContact CG1-CD1 3.94Å; V355-F596 HydrophobicContact CG1-CE1 3.74Å
356Y93.2Very high92.7Very high26 Ų2643.5 Ų43.510%0.10222%0.215CC..Hα-helixtrans-63.3-51.1-179.7179.3-100.2000112.6M352 V353 D354 L358 T359 N360 L646 L647 I806M352-Y356 WeakPolarHBondContact O-CB 3.49Å; M352-Y356 PolarHBondContact O-N 3.11Å; M352-Y356 VanDerWaalsContact O-N 3.13Å; V353-Y356 PolarHBondContact O-N 3.05Å; D354-Y356 VanDerWaalsContact C-N 3.32Å; D354-Y356 PolarHBondContact O-N 3.02Å; Y356-L358 PolarHBondContact O-N 3.12Å; Y356-T359 WeakPolarHBondContact O-CB 3.46Å; Y356-T359 PolarHBondContact O-N 2.63Å; Y356-N360 WeakPolarHBondContact CE1-ND2 3.41Å; Y356-N360 PolarHBondContact O-N 3.17Å; Y356-N360 VanDerWaalsContact O-N 3.14Å; Y356-N360 PolarHBondContact O-ND2 3.19Å; Y356-L646 HydrophobicContact CD1-CB 4.19Å; Y356-L646 HydrophobicContact CD1-CD1 4.14Å; Y356-L646 HydrophobicContact CD1-CD2 3.89Å; Y356-L646 HydrophobicContact CD1-CG 4.3Å; Y356-L646 HydrophobicContact CD2-CB 4.11Å; Y356-L646 HydrophobicContact CD2-CD1 3.82Å; Y356-L646 HydrophobicContact CD2-CG 4.49Å; Y356-L646 HydrophobicContact CE1-CB 3.93Å; Y356-L646 HydrophobicContact CE1-CD2 4.2Å; Y356-L646 HydrophobicContact CE1-CG 4.49Å; Y356-L646 HydrophobicContact CE2-CB 3.87Å; Y356-L646 HydrophobicContact CE2-CD1 4.43Å; Y356-L646 HydrophobicContact CG-CB 4.23Å; Y356-L646 HydrophobicContact CG-CD1 3.62Å; Y356-L646 HydrophobicContact CG-CD2 4.24Å; Y356-L646 HydrophobicContact CG-CG 4.25Å; Y356-L646 PolarHBondContact OH-O 3.19Å; Y356-L647 HydrophobicContact CE2-CD2 4.2Å; Y356-I806 HydrophobicContact CE2-CD1 3.73Å; Y356-I806 WeakPolarHBondContact OH-CD1 3.36Å
357D93.3Very high92.8Very high36 Ų3639.6 Ų39.619%0.19319%0.189CC..Hα-helixtrans-60.2-46.3179.1-83.7-4.8000111.3V353 T359 N360 L361 N496 K504V353-D357 WeakPolarHBondContact O-CB 3.12Å; V353-D357 PolarHBondContact O-N 2.77Å; D357-T359 VanDerWaalsContact C-N 3.34Å; D357-T359 PolarHBondContact O-N 3.49Å; D357-N360 PolarHBondContact O-N 2.94Å; D357-L361 WeakPolarHBondContact O-CG 3.37Å; D357-L361 PolarHBondContact O-N 2.9Å; D357-L361 VanDerWaalsContact O-N 3.08Å; D357-N496 PolarHBondContact OD2-ND2 2.9Å; D357-N496 PolarHBondContact OD2-OD1 3.24Å; D357-K504 IonicContact OD2-NZ 3.27Å; D357-K504 PolarHBondContact OD2-NZ 3.16Å
358L96.4Very high92.8Very high3 Ų334.6 Ų34.62%0.01617%0.165CC..Hα-helixtrans-66.3-35.9178.4-71.2-179.8000112.5L336 D354 Y356 N360 L361 L362 Y400 V500 L503 L507L336-L358 HydrophobicContact CD2-CB 3.86Å; D354-L358 WeakPolarHBondContact O-CB 3.49Å; D354-L358 WeakPolarHBondContact O-CG 3.36Å; D354-L358 PolarHBondContact O-N 3.03Å; Y356-L358 PolarHBondContact O-N 3.12Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.21Å; L358-L361 PolarHBondContact O-N 2.72Å; L358-L362 WeakPolarHBondContact O-CB 3.32Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.36Å; L358-L362 PolarHBondContact O-N 3.23Å; L358-Y400 HydrophobicContact CD1-CD1 3.89Å; L358-Y400 HydrophobicContact CD1-CD2 3.57Å; L358-Y400 HydrophobicContact CD1-CE1 3.75Å; L358-Y400 HydrophobicContact CD1-CE2 3.45Å; L358-Y400 VanDerWaalsContact CD1-CE2 3.45Å; L358-Y400 HydrophobicContact CD1-CG 3.8Å; L358-V500 HydrophobicContact CD1-CG1 4.41Å; L358-V500 HydrophobicContact CD1-CG2 3.85Å; L358-V500 HydrophobicContact CD2-CG1 4.22Å; L358-V500 HydrophobicContact CG-CG1 3.97Å; L358-V500 HydrophobicContact CG-CG2 4.33Å; L358-L503 HydrophobicContact CD1-CD2 4.38Å; L358-L503 HydrophobicContact CD2-CD2 3.88Å; L358-L503 HydrophobicContact CD2-CG 4.34Å; L358-L507 HydrophobicContact CD2-CD2 3.79Å
359T94.3Very high92.9Very high3 Ų332.9 Ų32.92%0.01816%0.156CC..Hα-helixtrans-57.7-48175.4-62.60000110.5L336 V355 Y356 D357 L362 R363 V369 S371L336-T359 VanDerWaalsContact CD2-OG1 3.27Å; L336-T359 WeakPolarHBondContact CD2-OG1 3.41Å; V355-T359 VanDerWaalsContact O-CB 3.27Å; V355-T359 WeakPolarHBondContact O-CB 3.36Å; V355-T359 PolarHBondContact O-N 3.04Å; V355-T359 PolarHBondContact O-OG1 3.38Å; Y356-T359 WeakPolarHBondContact O-CB 3.46Å; Y356-T359 PolarHBondContact O-N 2.63Å; D357-T359 VanDerWaalsContact C-N 3.34Å; D357-T359 PolarHBondContact O-N 3.49Å; T359-L362 PolarHBondContact O-N 2.95Å; T359-R363 VanDerWaalsContact CG2-CZ 3.42Å; T359-R363 WeakPolarHBondContact O-CB 3.3Å; T359-R363 VanDerWaalsContact O-CG 3.31Å; T359-R363 WeakPolarHBondContact O-CG 3.43Å; T359-R363 PolarHBondContact O-N 3.36Å; T359-V369 HydrophobicContact CG2-CB 4.28Å; T359-V369 HydrophobicContact CG2-CG1 3.89Å; T359-S371 VanDerWaalsContact OG1-CB 3.29Å; T359-S371 WeakPolarHBondContact OG1-CB 3.4Å
360N90.6Very high93.2Very high29 Ų2925.4 Ų25.416%0.15512%0.124CC..Hα-helixtrans-67-39.6-178.7-69.9-35000112.4Y356 D357 L358 Q364Y356-N360 WeakPolarHBondContact CE1-ND2 3.41Å; Y356-N360 PolarHBondContact O-N 3.17Å; Y356-N360 VanDerWaalsContact O-N 3.14Å; Y356-N360 PolarHBondContact O-ND2 3.19Å; D357-N360 PolarHBondContact O-N 2.94Å; L358-N360 VanDerWaalsContact C-N 3.31Å; L358-N360 PolarHBondContact O-N 3.21Å; N360-Q364 WeakPolarHBondContact O-CG 3.37Å; N360-Q364 PolarHBondContact O-N 2.63Å; N360-Q364 VanDerWaalsContact O-N 3.15Å
361L95.8Very high93.5Very high23 Ų2325.1 Ų25.112%0.1212%0.122CC..Hα-helixtrans-67.5-41.8176.2-67.6173000112.5D357 L358 R363 Q364 L365 K504 L507 L508D357-L361 WeakPolarHBondContact O-CG 3.37Å; D357-L361 PolarHBondContact O-N 2.9Å; D357-L361 VanDerWaalsContact O-N 3.08Å; L358-L361 PolarHBondContact O-N 2.72Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.84Å; L361-Q364 WeakPolarHBondContact O-CB 3.21Å; L361-Q364 PolarHBondContact O-N 2.84Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.09Å; L361-L365 VanDerWaalsContact O-N 3.15Å; L361-K504 HydrophobicContact CD1-CB 3.63Å; L361-L507 HydrophobicContact CB-CD2 3.84Å; L361-L507 HydrophobicContact CD1-CB 4.43Å; L361-L507 HydrophobicContact CD1-CD2 4.16Å; L361-L508 HydrophobicContact CB-CD2 4.4Å; L361-L508 HydrophobicContact CD2-CD1 3.78Å; L361-L508 HydrophobicContact CD2-CD2 4.14Å; L361-L508 HydrophobicContact CD2-CG 3.96Å
362L96.4Very high93.7Very high3 Ų325 Ų252%0.01612%0.121CC..Hα-helixtrans-68-34.9178.2-72.1170.5000111.8A334 L336 L358 T359 L365 N366 F367 V369 L398 L507A334-L362 HydrophobicContact CB-CD1 4.03Å; L336-L362 HydrophobicContact CD1-CD1 3.79Å; L336-L362 HydrophobicContact CD2-CD1 4.21Å; L358-L362 WeakPolarHBondContact O-CB 3.32Å; L358-L362 VanDerWaalsContact O-CG 3.29Å; L358-L362 WeakPolarHBondContact O-CG 3.36Å; L358-L362 PolarHBondContact O-N 3.23Å; T359-L362 PolarHBondContact O-N 2.95Å; L362-L365 HydrophobicContact CD2-CD1 4.43Å; L362-L365 CarbonylContact O-C 3.55Å; L362-L365 WeakPolarHBondContact O-CA 3.36Å; L362-L365 WeakPolarHBondContact O-CB 3.45Å; L362-L365 PolarHBondContact O-N 2.77Å; L362-L365 VanDerWaalsContact O-N 3.08Å; L362-N366 PolarHBondContact O-N 2.97Å; L362-F367 HydrophobicContact CB-CB 4.08Å; L362-F367 HydrophobicContact CB-CD2 4.46Å; L362-F367 HydrophobicContact CB-CG 4.33Å; L362-F367 HydrophobicContact CD2-CD2 4.05Å; L362-F367 HydrophobicContact CD2-CE2 4.17Å; L362-F367 HydrophobicContact CD2-CG 4.28Å; L362-F367 WeakPolarHBondContact O-CB 3.49Å; L362-F367 PolarHBondContact O-N 3.32Å; L362-V369 HydrophobicContact CB-CG2 3.6Å; L362-L398 HydrophobicContact CD1-CD2 3.97Å; L362-L398 HydrophobicContact CD2-CD1 4.02Å; L362-L507 HydrophobicContact CD2-CD2 4.22Å; L362-L507 HydrophobicContact CG-CD2 4.3Å
363R90.7Very high93.9Very high73 Ų7323.8 Ų23.828%0.27512%0.115SC..Hα-helixtrans-61.8-40.6170.8-76175.8179.9156.4-1.7112.2T359 L361 L365 N366 V369T359-R363 VanDerWaalsContact CG2-CZ 3.42Å; T359-R363 WeakPolarHBondContact O-CB 3.3Å; T359-R363 VanDerWaalsContact O-CG 3.31Å; T359-R363 WeakPolarHBondContact O-CG 3.43Å; T359-R363 PolarHBondContact O-N 3.36Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 2.84Å; R363-L365 PolarHBondContact O-N 2.85Å; R363-N366 WeakPolarHBondContact O-CA 3.3Å; R363-N366 PolarHBondContact O-N 3.25Å; R363-V369 HydrophobicContact CG-CB 4.44Å; R363-V369 HydrophobicContact CG-CG2 4.06Å
364Q92.1Very high94.1Very high109 Ų10925.2 Ų25.251%0.50912%0.122SC..Hα-helixtrans-61.4-29.6172.6-70.3173.648.700112.3N360 L361 N366 L508N360-Q364 WeakPolarHBondContact O-CG 3.37Å; N360-Q364 PolarHBondContact O-N 2.63Å; N360-Q364 VanDerWaalsContact O-N 3.15Å; L361-Q364 WeakPolarHBondContact O-CB 3.21Å; L361-Q364 PolarHBondContact O-N 2.84Å; Q364-N366 PolarHBondContact O-N 2.87Å; Q364-L508 HydrophobicContact CB-CD2 4.4Å
365L93.6Very high94.3Very high14 Ų1425.1 Ų25.17%0.07312%0.122CC..THydrogen-bonded Turntrans-83.313.5172.7-62.9173.2000112.9K332 L361 L362 R363 F367 L507 L508 L548 T549K332-L365 WeakPolarHBondContact CE-O 3.29Å; K332-L365 PolarHBondContact NZ-O 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.09Å; L361-L365 VanDerWaalsContact O-N 3.15Å; L362-L365 HydrophobicContact CD2-CD1 4.43Å; L362-L365 CarbonylContact O-C 3.55Å; L362-L365 WeakPolarHBondContact O-CA 3.36Å; L362-L365 WeakPolarHBondContact O-CB 3.45Å; L362-L365 PolarHBondContact O-N 2.77Å; L362-L365 VanDerWaalsContact O-N 3.08Å; R363-L365 PolarHBondContact O-N 2.85Å; L365-F367 VanDerWaalsContact C-N 3.31Å; L365-F367 HydrophobicContact CB-CD2 3.87Å; L365-F367 HydrophobicContact CB-CE2 4.12Å; L365-F367 PolarHBondContact O-N 3.18Å; L365-L507 HydrophobicContact CD1-CG 4.38Å; L365-L508 HydrophobicContact CD1-CD2 3.98Å; L365-L508 HydrophobicContact CD2-CD2 3.75Å; L365-L508 HydrophobicContact CG-CD2 3.63Å; L365-L548 HydrophobicContact CD1-CB 3.88Å; L365-T549 HydrophobicContact CD2-CG2 3.61Å
366N92.8Very high94.3Very high103 Ų10326.3 Ų26.355%0.55113%0.129SC*.THydrogen-bonded Turntrans61.629.6-178.9-55.7-52.3000114.6L362 R363 Q364 I552L362-N366 PolarHBondContact O-N 2.97Å; R363-N366 WeakPolarHBondContact O-CA 3.3Å; R363-N366 PolarHBondContact O-N 3.25Å; Q364-N366 PolarHBondContact O-N 2.87Å; N366-I552 HydrophobicContact CB-CD1 4.06Å; N366-I552 WeakPolarHBondContact O-CD1 3.5Å
367F94.3Very high94.4Very high11 Ų1127.4 Ų27.45%0.04814%0.135CC..  trans-80.1144.8168.4-78.6-108.1000111.6K332 A334 L362 L365 V369 L398 L548K332-F367 HydrophobicContact CB-CB 4.46Å; K332-F367 HydrophobicContact CB-CD1 3.69Å; K332-F367 HydrophobicContact CB-CD2 3.97Å; K332-F367 HydrophobicContact CB-CE1 3.79Å; K332-F367 HydrophobicContact CB-CE2 4.06Å; K332-F367 HydrophobicContact CB-CG 3.78Å; K332-F367 HydrophobicContact CB-CZ 3.97Å; K332-F367 HydrophobicContact CD-CD2 4.24Å; K332-F367 HydrophobicContact CD-CE2 3.75Å; K332-F367 HydrophobicContact CD-CZ 3.96Å; K332-F367 HydrophobicContact CG-CE2 4.42Å; K332-F367 HydrophobicContact CG-CZ 4.32Å; K332-F367 WeakPolarHBondContact O-CA 3.3Å; A334-F367 HydrophobicContact CB-CD1 3.89Å; L362-F367 HydrophobicContact CB-CB 4.08Å; L362-F367 HydrophobicContact CB-CD2 4.46Å; L362-F367 HydrophobicContact CB-CG 4.33Å; L362-F367 HydrophobicContact CD2-CD2 4.05Å; L362-F367 HydrophobicContact CD2-CE2 4.17Å; L362-F367 HydrophobicContact CD2-CG 4.28Å; L362-F367 WeakPolarHBondContact O-CB 3.49Å; L362-F367 PolarHBondContact O-N 3.32Å; L365-F367 VanDerWaalsContact C-N 3.31Å; L365-F367 HydrophobicContact CB-CD2 3.87Å; L365-F367 HydrophobicContact CB-CE2 4.12Å; L365-F367 PolarHBondContact O-N 3.18Å; F367-V369 HydrophobicContact CB-CG2 3.59Å; F367-V369 PolarHBondContact O-N 3.17Å; F367-L398 HydrophobicContact CE1-CB 4.12Å; F367-L548 HydrophobicContact CE2-CB 4.25Å; F367-L548 HydrophobicContact CZ-CD2 4.02Å
368K91.9Very high94.4Very high34 Ų3427.8 Ų27.815%0.14814%0.141CC..EExtended strand (participates in β ladder)trans-81101.5160.5-69.2175.2-175.6175.30108.3D331 K332 V333 A334 S565 W568D331-K368 WeakPolarHBondContact OD1-CE 3.32Å; D331-K368 IonicContact OD1-NZ 3.95Å; D331-K368 WeakPolarHBondContact OD2-CE 3.2Å; D331-K368 IonicContact OD2-NZ 2.97Å; D331-K368 PolarHBondContact OD2-NZ 2.63Å; K332-K368 PolarHBondContact O-N 3Å; V333-K368 CarbonylContact C-O 3.6Å; V333-K368 WeakPolarHBondContact CA-O 3.44Å; V333-K368 HydrophobicContact CG2-CB 4.44Å; A334-K368 PolarHBondContact N-O 2.75Å; K368-S565 PolarHBondContact NZ-OG 3.42Å; K368-S565 VanDerWaalsContact NZ-OG 3.1Å; K368-W568 VanDerWaalsContact C-CZ2 3.5Å; K368-W568 HydrophobicContact CB-CD2 3.52Å; K368-W568 HydrophobicContact CB-CE3 3.69Å; K368-W568 HydrophobicContact CB-CG 4.08Å; K368-W568 HydrophobicContact CB-CH2 4.32Å; K368-W568 HydrophobicContact CB-CZ2 4.09Å; K368-W568 HydrophobicContact CB-CZ3 4.04Å; K368-W568 HydrophobicContact CD-CB 4.3Å; K368-W568 HydrophobicContact CD-CD2 4.25Å; K368-W568 HydrophobicContact CD-CG 3.95Å; K368-W568 HydrophobicContact CG-CD2 3.93Å; K368-W568 HydrophobicContact CG-CG 3.97Å
369V93.1Very high94.3Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-112.1110.1-167.3-172.30000113.5A334 L336 T359 L362 R363 F367 W568 H572A334-V369 HydrophobicContact CB-CG1 4.27Å; A334-V369 HydrophobicContact CB-CG2 4.22Å; A334-V369 WeakPolarHBondContact O-CA 3.48Å; L336-V369 HydrophobicContact CD1-CG1 3.72Å; L336-V369 HydrophobicContact CD2-CG1 3.97Å; L336-V369 HydrophobicContact CG-CG1 4.35Å; T359-V369 HydrophobicContact CG2-CB 4.28Å; T359-V369 HydrophobicContact CG2-CG1 3.89Å; L362-V369 HydrophobicContact CB-CG2 3.6Å; R363-V369 HydrophobicContact CG-CB 4.44Å; R363-V369 HydrophobicContact CG-CG2 4.06Å; F367-V369 HydrophobicContact CB-CG2 3.59Å; F367-V369 PolarHBondContact O-N 3.17Å; V369-W568 WeakPolarHBondContact O-CH2 3.36Å; V369-W568 WeakPolarHBondContact O-CZ2 3.28Å; V369-H572 PolarHBondContact O-NE2 3.14Å
370V93.5Very high94.4Very high13 Ų1328.1 Ų28.18%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-88.2124.7170.1-1670000107.2A334 L335 L336 L372 W568 I702A334-V370 PolarHBondContact O-N 3.09Å; L335-V370 HydrophobicContact CD1-CB 4.01Å; L335-V370 HydrophobicContact CD1-CG1 4.41Å; L336-V370 PolarHBondContact N-O 3.3Å; V370-L372 HydrophobicContact CG1-CD1 4.1Å; V370-L372 HydrophobicContact CG1-CD2 4.06Å; V370-L372 HydrophobicContact CG1-CG 3.87Å; V370-W568 HydrophobicContact CB-CH2 4.33Å; V370-W568 HydrophobicContact CB-CZ3 4.34Å; V370-W568 HydrophobicContact CG2-CE3 4.37Å; V370-W568 HydrophobicContact CG2-CH2 3.68Å; V370-W568 HydrophobicContact CG2-CZ3 3.28Å; V370-I702 HydrophobicContact CG1-CD1 3.79Å
371S95.4Very high94.6Very high2 Ų228 Ų281%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-117.7123.8176.659.10000110.5L336 T359 S597L336-S371 WeakPolarHBondContact O-CA 3.18Å; T359-S371 VanDerWaalsContact OG1-CB 3.29Å; T359-S371 WeakPolarHBondContact OG1-CB 3.4Å; S371-S597 PolarHBondContact N-OG 3.5Å; S371-S597 VanDerWaalsContact N-OG 3.08Å; S371-S597 VanDerWaalsContact O-CB 3.23Å; S371-S597 WeakPolarHBondContact O-CB 3.41Å; S371-S597 PolarHBondContact O-N 2.93Å; S371-S597 PolarHBondContact O-OG 3.15Å
372L96.6Very high94.4Very high1 Ų127.8 Ų27.81%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-131.1137.1-173.2-61.2172.5000110.8L335 L336 I337 G338 V370 L375 A383 N598 I702 L707L335-L372 HydrophobicContact CD1-CD1 4.15Å; L336-L372 PolarHBondContact O-N 2.93Å; I337-L372 WeakPolarHBondContact CA-O 3.32Å; G338-L372 PolarHBondContact N-O 2.79Å; V370-L372 HydrophobicContact CG1-CD1 4.1Å; V370-L372 HydrophobicContact CG1-CD2 4.06Å; V370-L372 HydrophobicContact CG1-CG 3.87Å; L372-L375 HydrophobicContact CB-CD1 3.74Å; L372-L375 HydrophobicContact CB-CD2 4.05Å; L372-L375 HydrophobicContact CB-CG 4.03Å; L372-L375 HydrophobicContact CD1-CD1 3.73Å; L372-L375 HydrophobicContact CG-CD1 4.36Å; L372-A383 HydrophobicContact CD1-CB 3.58Å; L372-N598 WeakPolarHBondContact CA-OD1 3.24Å; L372-N598 HydrophobicContact CD2-CB 3.74Å; L372-I702 HydrophobicContact CD2-CB 4.24Å; L372-I702 HydrophobicContact CD2-CD1 4.15Å; L372-I702 HydrophobicContact CD2-CG1 3.85Å; L372-I702 HydrophobicContact CD2-CG2 4.34Å; L372-L707 HydrophobicContact CD1-CD1 4.44Å
373L96.3Very high94.3Very high7 Ų727.9 Ų27.94%0.03714%0.139CC..EExtended strand (participates in β ladder)trans-110.4148.3174.2-62-173.1000112.8G338 L340 M352 V355 F596 N598G338-L373 CarbonylContact O-C 3.59Å; G338-L373 VanDerWaalsContact O-CA 3.23Å; G338-L373 WeakPolarHBondContact O-CA 3.18Å; L340-L373 HydrophobicContact CD1-CD2 3.93Å; M352-L373 HydrophobicContact CB-CD1 4.43Å; M352-L373 HydrophobicContact CE-CD1 4.31Å; M352-L373 HydrophobicContact CG-CD1 4.1Å; V355-L373 HydrophobicContact CB-CD2 4.46Å; L373-F596 HydrophobicContact CD1-CD1 4.34Å; L373-F596 HydrophobicContact CD1-CD2 3.53Å; L373-F596 HydrophobicContact CD1-CE1 4.2Å; L373-F596 HydrophobicContact CD1-CE2 3.36Å; L373-F596 HydrophobicContact CD1-CG 4.04Å; L373-F596 HydrophobicContact CD1-CZ 3.73Å; L373-F596 HydrophobicContact CD2-CD1 4.31Å; L373-F596 HydrophobicContact CD2-CE1 4.12Å; L373-F596 HydrophobicContact CD2-CZ 4.32Å; L373-F596 HydrophobicContact CG-CD1 4.06Å; L373-F596 HydrophobicContact CG-CD2 3.99Å; L373-F596 HydrophobicContact CG-CE1 4.19Å; L373-F596 HydrophobicContact CG-CE2 4.12Å; L373-F596 HydrophobicContact CG-CG 3.97Å; L373-F596 HydrophobicContact CG-CZ 4.23Å; L373-N598 PolarHBondContact N-ND2 3.15Å; L373-N598 PolarHBondContact N-OD1 2.89Å; L373-N598 PolarHBondContact O-ND2 3.23Å
374D96.5Very high94.5Very high37 Ų3724.5 Ų24.520%0.19813%0.127CC..SBendtrans50.161.9168.4-69.7-28.6000114.1G338 L340 S341 V417G338-D374 PolarHBondContact O-N 3.08Å; L340-D374 WeakPolarHBondContact CA-OD1 3.41Å; L340-D374 WeakPolarHBondContact CB-OD1 3.39Å; L340-D374 PolarHBondContact N-OD1 3.06Å; S341-D374 VanDerWaalsContact CB-OD2 3.26Å; S341-D374 WeakPolarHBondContact CB-OD2 3.26Å; S341-D374 PolarHBondContact N-OD1 2.91Å; S341-D374 PolarHBondContact OG-OD2 2.93Å; D374-V417 HydrophobicContact CB-CG1 4.15Å
375L96.9Very high94.5Very high0 Ų021 Ų210%011%0.112CC..  trans-93.1136.1-178.6-60.7-172.2000112.4I337 N339 L372 E379 M380 A383 V417 Q664I337-L375 HydrophobicContact CD1-CD1 4.15Å; I337-L375 HydrophobicContact CG1-CD1 4.1Å; I337-L375 HydrophobicContact CG2-CD1 4.07Å; I337-L375 HydrophobicContact CG2-CG 4.38Å; N339-L375 PolarHBondContact OD1-N 3.44Å; L372-L375 HydrophobicContact CB-CD1 3.74Å; L372-L375 HydrophobicContact CB-CD2 4.05Å; L372-L375 HydrophobicContact CB-CG 4.03Å; L372-L375 HydrophobicContact CD1-CD1 3.73Å; L372-L375 HydrophobicContact CG-CD1 4.36Å; L375-E379 WeakPolarHBondContact CA-OE2 3.34Å; L375-E379 HydrophobicContact CB-CB 4.16Å; L375-E379 HydrophobicContact CD2-CB 4.11Å; L375-M380 HydrophobicContact CB-CB 4.49Å; L375-M380 HydrophobicContact CB-CG 3.42Å; L375-M380 VanDerWaalsContact CB-CG 3.42Å; L375-M380 HydrophobicContact CD1-CG 4.03Å; L375-M380 HydrophobicContact CG-CG 4.39Å; L375-A383 HydrophobicContact CD1-CB 4.25Å; L375-V417 PolarHBondContact O-N 3.05Å; L375-V417 VanDerWaalsContact O-N 3.15Å; L375-Q664 HydrophobicContact CD2-CG 4.11Å
376T95.9Very high94.3Very high25 Ų2521.8 Ų21.815%0.15312%0.115CC..  trans-72.4167.8167.162.30000111.8S378 E379 M380 V417 D418T376-S378 VanDerWaalsContact C-N 3.31Å; T376-S378 PolarHBondContact O-N 2.87Å; T376-E379 PolarHBondContact N-OE2 2.82Å; T376-E379 PolarHBondContact O-N 3.04Å; T376-E379 VanDerWaalsContact O-N 3.17Å; T376-E379 WeakPolarHBondContact OG1-CB 3.4Å; T376-E379 WeakPolarHBondContact OG1-CG 3.36Å; T376-E379 PolarHBondContact OG1-N 2.99Å; T376-E379 PolarHBondContact OG1-OE2 3.45Å; T376-M380 WeakPolarHBondContact O-CG 3.38Å; T376-M380 PolarHBondContact O-N 3.47Å; T376-V417 HydrophobicContact CG2-CG2 4.39Å; T376-D418 WeakPolarHBondContact CA-OD1 3.22Å; T376-D418 WeakPolarHBondContact CB-OD1 3.13Å; T376-D418 WeakPolarHBondContact CB-OD2 3.42Å; T376-D418 HydrophobicContact CG2-CB 4.07Å
377E95.3Very high94.3Very high49 Ų4917 Ų1723%0.2299%0.09CC..Hα-helixtrans-54.4-47.9179.2-168.8-156.6142.200112E379 M380 R381 P416 D418 N427 L429E377-E379 PolarHBondContact O-N 2.73Å; E377-M380 PolarHBondContact O-N 3.39Å; E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.28Å; E377-R381 PolarHBondContact O-N 2.77Å; E377-R381 VanDerWaalsContact O-N 3.07Å; E377-R381 IonicContact OE1-CZ 3.11Å; E377-R381 IonicContact OE1-NE 3.94Å; E377-R381 PolarHBondContact OE1-NE 2.95Å; E377-R381 IonicContact OE1-NH2 2.87Å; E377-R381 PolarHBondContact OE1-NH2 3.22Å; E377-P416 HydrophobicContact CB-CB 4.14Å; E377-P416 HydrophobicContact CB-CG 3.75Å; E377-P416 HydrophobicContact CG-CG 4.07Å; E377-P416 VanDerWaalsContact N-CB 3.32Å; E377-D418 PolarHBondContact N-OD1 3.14Å; E377-N427 WeakPolarHBondContact OE2-CA 3.5Å; E377-L429 HydrophobicContact CG-CD1 4.34Å
378S93.2Very high94.2Very high44 Ų4417.1 Ų17.131%0.3089%0.09SC..Hα-helixtrans-64.1-41.2179.8-172.50000111.7T376 R381 N382T376-S378 VanDerWaalsContact C-N 3.31Å; T376-S378 PolarHBondContact O-N 2.87Å; S378-R381 PolarHBondContact O-N 2.94Å; S378-N382 WeakPolarHBondContact O-CB 3.4Å; S378-N382 PolarHBondContact O-N 3.29Å; S378-N382 PolarHBondContact O-ND2 2.93Å
379E94.9Very high94.1Very high13 Ų1319.5 Ų19.56%0.06110%0.104CC..Hα-helixtrans-68.9-41.8-179.7-69.1162.7168.700111.5L375 T376 E377 R381 N382 A383 Q664 K665L375-E379 WeakPolarHBondContact CA-OE2 3.34Å; L375-E379 HydrophobicContact CB-CB 4.16Å; L375-E379 HydrophobicContact CD2-CB 4.11Å; T376-E379 PolarHBondContact N-OE2 2.82Å; T376-E379 PolarHBondContact O-N 3.04Å; T376-E379 VanDerWaalsContact O-N 3.17Å; T376-E379 WeakPolarHBondContact OG1-CB 3.4Å; T376-E379 WeakPolarHBondContact OG1-CG 3.36Å; T376-E379 PolarHBondContact OG1-N 2.99Å; T376-E379 PolarHBondContact OG1-OE2 3.45Å; E377-E379 PolarHBondContact O-N 2.73Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 2.68Å; E379-N382 PolarHBondContact O-N 3.21Å; E379-A383 VanDerWaalsContact O-CB 3.3Å; E379-A383 WeakPolarHBondContact O-CB 3.45Å; E379-A383 PolarHBondContact O-N 2.86Å; E379-Q664 HydrophobicContact CB-CG 4.44Å; E379-Q664 VanDerWaalsContact CD-CG 3.4Å; E379-Q664 HydrophobicContact CG-CG 3.87Å; E379-Q664 WeakPolarHBondContact OE1-CG 3.16Å; E379-Q664 PolarHBondContact OE2-NE2 3.45Å; E379-K665 WeakPolarHBondContact OE1-CG 2.87Å
380M96.3Very high93.9Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-59.5-43.9174.1-72.2-172.27100111.2I337 N339 L375 T376 E377 A383 V384 Y401 M414 P416 L429I337-M380 HydrophobicContact CD1-CE 4.08Å; I337-M380 HydrophobicContact CG2-CE 4.23Å; N339-M380 PolarHBondContact ND2-SD 3.05Å; L375-M380 HydrophobicContact CB-CB 4.49Å; L375-M380 HydrophobicContact CB-CG 3.42Å; L375-M380 VanDerWaalsContact CB-CG 3.42Å; L375-M380 HydrophobicContact CD1-CG 4.03Å; L375-M380 HydrophobicContact CG-CG 4.39Å; T376-M380 WeakPolarHBondContact O-CG 3.38Å; T376-M380 PolarHBondContact O-N 3.47Å; E377-M380 PolarHBondContact O-N 3.39Å; M380-A383 PolarHBondContact O-N 2.61Å; M380-V384 VanDerWaalsContact O-CG2 3.3Å; M380-V384 WeakPolarHBondContact O-CG2 3.38Å; M380-V384 PolarHBondContact O-N 3.32Å; M380-Y401 HydrophobicContact CE-CD2 4.1Å; M380-Y401 HydrophobicContact CE-CE2 3.83Å; M380-M414 HydrophobicContact CE-CB 3.83Å; M380-M414 HydrophobicContact CE-CE 4.18Å; M380-M414 HydrophobicContact CE-SD 4.34Å; M380-P416 HydrophobicContact SD-CB 3.96Å; M380-P416 HydrophobicContact SD-CG 3.83Å; M380-L429 HydrophobicContact CB-CD1 3.68Å; M380-L429 HydrophobicContact CB-CD2 3.69Å; M380-L429 HydrophobicContact CB-CG 4.35Å; M380-L429 HydrophobicContact CE-CD1 4.24Å; M380-L429 HydrophobicContact CE-CD2 4.39Å; M380-L429 HydrophobicContact CG-CD1 4.45Å; M380-L429 HydrophobicContact SD-CD1 4.05Å
381R94Very high93.8Very high26 Ų2619.5 Ų19.510%0.09810%0.104CC..Hα-helixtrans-62.3-46.6177.9-71.2177.3-171.6-53.30.3111.4E377 S378 E379 V384 D385 A426 C428 L429 L717E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.28Å; E377-R381 PolarHBondContact O-N 2.77Å; E377-R381 VanDerWaalsContact O-N 3.07Å; E377-R381 IonicContact OE1-CZ 3.11Å; E377-R381 IonicContact OE1-NE 3.94Å; E377-R381 PolarHBondContact OE1-NE 2.95Å; E377-R381 IonicContact OE1-NH2 2.87Å; E377-R381 PolarHBondContact OE1-NH2 3.22Å; S378-R381 PolarHBondContact O-N 2.94Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 2.68Å; R381-V384 PolarHBondContact O-N 3.32Å; R381-D385 PolarHBondContact O-N 2.75Å; R381-A426 PolarHBondContact NH2-O 2.88Å; R381-C428 PolarHBondContact NH2-O 2.98Å; R381-L429 HydrophobicContact CG-CD1 4.28Å; R381-L429 HydrophobicContact CG-CD2 4.11Å; R381-L429 HydrophobicContact CG-CG 4.15Å; R381-L717 HydrophobicContact CB-CD1 4.49Å; R381-L717 VanDerWaalsContact CD-CD1 3.46Å; R381-L717 HydrophobicContact CG-CD1 3.82Å
382N92.6Very high93.5Very high19 Ų1921.1 Ų21.110%0.10211%0.111CC..Hα-helixtrans-66.4-37.7178.8-71.5-22.8000112.1S378 E379 D385 E386 L707 R709S378-N382 WeakPolarHBondContact O-CB 3.4Å; S378-N382 PolarHBondContact O-N 3.29Å; S378-N382 PolarHBondContact O-ND2 2.93Å; E379-N382 PolarHBondContact O-N 3.21Å; N382-D385 PolarHBondContact O-N 2.86Å; N382-E386 PolarHBondContact O-N 3.42Å; N382-L707 HydrophobicContact CB-CB 4.36Å; N382-L707 HydrophobicContact CB-CD2 3.95Å; N382-L707 PolarHBondContact ND2-O 2.82Å; N382-R709 PolarHBondContact ND2-O 3.25Å; N382-R709 VanDerWaalsContact ND2-O 3.08Å
383A93.6Very high93.2Very high5 Ų528 Ų284%0.04114%0.141CC..Hα-helixtrans-63.5-41.2174.400000112L335 L372 L375 E379 M380 E386 F387 L707L335-A383 HydrophobicContact CD1-CB 4.46Å; L335-A383 HydrophobicContact CD2-CB 4.46Å; L372-A383 HydrophobicContact CD1-CB 3.58Å; L375-A383 HydrophobicContact CD1-CB 4.25Å; E379-A383 VanDerWaalsContact O-CB 3.3Å; E379-A383 WeakPolarHBondContact O-CB 3.45Å; E379-A383 PolarHBondContact O-N 2.86Å; M380-A383 PolarHBondContact O-N 2.61Å; A383-E386 PolarHBondContact O-N 3.49Å; A383-F387 WeakPolarHBondContact O-CB 3.34Å; A383-F387 PolarHBondContact O-N 3.28Å; A383-L707 HydrophobicContact CB-CD1 4.45Å
384V95.4Very high92.8Very high3 Ų328.4 Ų28.42%0.01815%0.147CC..Hα-helixtrans-64.5-40.7174169.40000111.2L335 M380 R381 F387 L388 L429 I434L335-V384 HydrophobicContact CD2-CG2 4.02Å; M380-V384 VanDerWaalsContact O-CG2 3.3Å; M380-V384 WeakPolarHBondContact O-CG2 3.38Å; M380-V384 PolarHBondContact O-N 3.32Å; R381-V384 PolarHBondContact O-N 3.32Å; V384-F387 WeakPolarHBondContact O-CB 3.4Å; V384-F387 PolarHBondContact O-N 3.1Å; V384-L388 HydrophobicContact CG1-CD1 3.94Å; V384-L388 HydrophobicContact CG1-CG 4.27Å; V384-L388 WeakPolarHBondContact O-CB 3.5Å; V384-L388 VanDerWaalsContact O-CG 3.24Å; V384-L388 WeakPolarHBondContact O-CG 3.32Å; V384-L388 PolarHBondContact O-N 3.29Å; V384-L429 HydrophobicContact CG2-CD2 4.12Å; V384-I434 HydrophobicContact CG1-CD1 4.05Å; V384-I434 HydrophobicContact CG1-CG1 3.99Å; V384-I434 HydrophobicContact CG1-CG2 3.92Å; V384-I434 HydrophobicContact CG2-CD1 3.9Å
385D91.3Very high92.6Very high34 Ų3426.7 Ų26.718%0.18214%0.138CC..Hα-helixtrans-60.8-46.3176-80.8-19.5000111.7R381 N382 F387 L388 L389 S715 C716R381-D385 PolarHBondContact O-N 2.75Å; N382-D385 PolarHBondContact O-N 2.86Å; D385-F387 VanDerWaalsContact C-N 3.33Å; D385-F387 PolarHBondContact O-N 3.42Å; D385-L388 PolarHBondContact O-N 3.45Å; D385-L389 WeakPolarHBondContact O-CG 3.34Å; D385-L389 PolarHBondContact O-N 3.05Å; D385-S715 WeakPolarHBondContact OD2-CB 3.07Å; D385-C716 WeakPolarHBondContact OD1-CB 3.34Å; D385-C716 PolarHBondContact OD1-SG 3.24Å
386E89.4Confident92.7Very high31 Ų3126.8 Ų26.815%0.14514%0.138CC..Hα-helixtrans-63.5-38.7175.9-71-62.2142.100112N382 A383 L389 L390 Q567 L705 L707N382-E386 PolarHBondContact O-N 3.42Å; A383-E386 PolarHBondContact O-N 3.49Å; E386-L389 WeakPolarHBondContact O-CB 3.47Å; E386-L389 PolarHBondContact O-N 3.42Å; E386-L390 PolarHBondContact O-N 3.08Å; E386-Q567 PolarHBondContact OE2-NE2 3.41Å; E386-L705 HydrophobicContact CB-CD1 4.25Å; E386-L705 HydrophobicContact CG-CD1 4.02Å; E386-L707 HydrophobicContact CG-CD2 3.99Å
387F93.4Very high92.8Very high4 Ų425.6 Ų25.62%0.01813%0.131CC..Hα-helixtrans-60.1-46.7172167.5-109.9000112V333 L335 A383 V384 D385 L389 L390 L391 M438V333-F387 HydrophobicContact CB-CE2 4.41Å; V333-F387 HydrophobicContact CG1-CD2 3.89Å; V333-F387 HydrophobicContact CG1-CE2 3.97Å; L335-F387 HydrophobicContact CB-CB 4.09Å; L335-F387 HydrophobicContact CB-CD1 4.49Å; L335-F387 HydrophobicContact CB-CD2 3.72Å; L335-F387 HydrophobicContact CB-CE2 4.23Å; L335-F387 HydrophobicContact CB-CG 3.85Å; L335-F387 HydrophobicContact CD2-CB 3.77Å; L335-F387 HydrophobicContact CD2-CD1 4.48Å; L335-F387 HydrophobicContact CD2-CG 4.15Å; L335-F387 HydrophobicContact CG-CB 4.48Å; A383-F387 WeakPolarHBondContact O-CB 3.34Å; A383-F387 PolarHBondContact O-N 3.28Å; V384-F387 WeakPolarHBondContact O-CB 3.4Å; V384-F387 PolarHBondContact O-N 3.1Å; D385-F387 VanDerWaalsContact C-N 3.33Å; D385-F387 PolarHBondContact O-N 3.42Å; F387-L389 PolarHBondContact O-N 3.41Å; F387-L390 WeakPolarHBondContact O-CB 3.35Å; F387-L390 PolarHBondContact O-N 3.21Å; F387-L390 VanDerWaalsContact O-N 3.1Å; F387-L391 HydrophobicContact CD1-CD1 4.32Å; F387-L391 HydrophobicContact CE1-CD1 3.79Å; F387-L391 HydrophobicContact CE2-CD2 4.1Å; F387-L391 HydrophobicContact CZ-CD1 3.9Å; F387-L391 HydrophobicContact CZ-CD2 4.14Å; F387-L391 HydrophobicContact CZ-CG 4.4Å; F387-M438 HydrophobicContact CE1-CE 3.83Å; F387-M438 HydrophobicContact CE1-CG 4.36Å; F387-M438 HydrophobicContact CE1-SD 3.89Å; F387-M438 HydrophobicContact CZ-CE 3.75Å; F387-M438 HydrophobicContact CZ-SD 4.4Å
388L92.9Very high92.9Very high12 Ų1223.4 Ų23.46%0.06312%0.121CC..Hα-helixtrans-64.2-26.7178.6-70.3169.9000113.1V384 D385 L390 L391 L437 M438 K441V384-L388 HydrophobicContact CG1-CD1 3.94Å; V384-L388 HydrophobicContact CG1-CG 4.27Å; V384-L388 WeakPolarHBondContact O-CB 3.5Å; V384-L388 VanDerWaalsContact O-CG 3.24Å; V384-L388 WeakPolarHBondContact O-CG 3.32Å; V384-L388 PolarHBondContact O-N 3.29Å; D385-L388 PolarHBondContact O-N 3.45Å; L388-L390 VanDerWaalsContact C-N 3.3Å; L388-L391 HydrophobicContact CD2-CD1 4.11Å; L388-L391 PolarHBondContact O-N 3.29Å; L388-L437 HydrophobicContact CD1-CB 3.83Å; L388-L437 HydrophobicContact CD1-CD1 3.73Å; L388-L437 HydrophobicContact CD1-CG 4.41Å; L388-L437 HydrophobicContact CD2-CB 3.89Å; L388-M438 HydrophobicContact CD2-CG 3.65Å; L388-K441 WeakPolarHBondContact O-CE 3.28Å
389L89.6Confident93.2Very high84 Ų8421.3 Ų21.344%0.4411%0.106SC..Hα-helixtrans-69.1-27.8174.6-71.7176.1000112.8D385 E386 F387 L391D385-L389 WeakPolarHBondContact O-CG 3.34Å; D385-L389 PolarHBondContact O-N 3.05Å; E386-L389 WeakPolarHBondContact O-CB 3.47Å; E386-L389 PolarHBondContact O-N 3.42Å; F387-L389 PolarHBondContact O-N 3.41Å; L389-L391 VanDerWaalsContact C-N 3.33Å
390L89.1Confident93.4Very high10 Ų1020.7 Ų20.75%0.05210%0.103CC..Hα-helixtrans-80.4-16.9177.6-62.5173.3000112.7V333 E386 F387 L388 H564 Q567 W568V333-L390 HydrophobicContact CG1-CB 3.95Å; V333-L390 HydrophobicContact CG1-CD1 3.78Å; V333-L390 HydrophobicContact CG2-CB 4.18Å; E386-L390 PolarHBondContact O-N 3.08Å; F387-L390 WeakPolarHBondContact O-CB 3.35Å; F387-L390 PolarHBondContact O-N 3.21Å; F387-L390 VanDerWaalsContact O-N 3.1Å; L388-L390 VanDerWaalsContact C-N 3.3Å; L390-H564 HydrophobicContact CD2-CB 4.16Å; L390-Q567 HydrophobicContact CD2-CB 4.11Å; L390-Q567 HydrophobicContact CD2-CG 4.29Å; L390-W568 HydrophobicContact CD1-CE3 3.91Å; L390-W568 HydrophobicContact CD1-CZ3 4.36Å
391L91.4Very high93.5Very high3 Ų320.7 Ų20.72%0.01610%0.103CC..  trans-84.6136.3-178.5-57-178.9000112V333 F387 L388 L389 V395 M438 K441 T443V333-L391 HydrophobicContact CB-CD2 4.18Å; F387-L391 HydrophobicContact CD1-CD1 4.32Å; F387-L391 HydrophobicContact CE1-CD1 3.79Å; F387-L391 HydrophobicContact CE2-CD2 4.1Å; F387-L391 HydrophobicContact CZ-CD1 3.9Å; F387-L391 HydrophobicContact CZ-CD2 4.14Å; F387-L391 HydrophobicContact CZ-CG 4.4Å; L388-L391 HydrophobicContact CD2-CD1 4.11Å; L388-L391 PolarHBondContact O-N 3.29Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L391-V395 HydrophobicContact CD2-CB 4.49Å; L391-V395 HydrophobicContact CD2-CG1 3.69Å; L391-M438 HydrophobicContact CD1-CB 4.19Å; L391-M438 HydrophobicContact CD1-CE 3.77Å; L391-M438 HydrophobicContact CD1-CG 3.64Å; L391-M438 HydrophobicContact CD1-SD 4.4Å; L391-K441 HydrophobicContact CB-CB 4.04Å; L391-K441 HydrophobicContact CB-CG 4.12Å; L391-T443 HydrophobicContact CB-CG2 4.01Å; L391-T443 HydrophobicContact CD1-CG2 4.03Å; L391-T443 HydrophobicContact CD2-CG2 4.35Å; L391-T443 HydrophobicContact CG-CG2 4.35Å
392H88.8Confident93.7Very high37 Ų3719.6 Ų19.617%0.17110%0.1CC..  trans-150.1-173.6170.863.178.7000110.5G394 V395 K441 H564H392-G394 PolarHBondContact O-N 3.06Å; H392-V395 HydrophobicContact CB-CG2 4.49Å; H392-V395 VanDerWaalsContact CD2-CG2 3.47Å; H392-V395 WeakPolarHBondContact CD2-CG2 3.4Å; H392-V395 WeakPolarHBondContact CE1-CG2 3.5Å; H392-V395 VanDerWaalsContact NE2-CG2 3.34Å; H392-V395 WeakPolarHBondContact NE2-CG2 3.38Å; H392-V395 WeakPolarHBondContact O-CB 3.46Å; H392-V395 WeakPolarHBondContact O-CG2 3.49Å; H392-V395 PolarHBondContact O-N 3.06Å; H392-V395 VanDerWaalsContact O-N 3.08Å; H392-K441 CarbonylContact C-O 3.23Å; H392-K441 WeakPolarHBondContact CA-O 3.46Å; H392-H564 AromaticContact CD2-CE1 3.58Å; H392-H564 AromaticContact CD2-ND1 3.45Å; H392-H564 PolarHBondContact CD2-ND1 3.07Å
393K89.4Confident93.8Very high145 Ų14519 Ų1963%0.6310%0.098SC*.THydrogen-bonded Turntrans-52.1125.2-177.9-172.5174-179.1172.30111.5T330 V395 K441 E442T330-K393 PolarHBondContact OG1-O 3.44Å; K393-V395 VanDerWaalsContact C-N 3.3Å; K393-V395 PolarHBondContact O-N 2.75Å; K393-K441 PolarHBondContact N-O 3.03Å; K393-E442 VanDerWaalsContact CA-O 3.26Å; K393-E442 WeakPolarHBondContact CA-O 2.99Å; K393-E442 HydrophobicContact CB-CB 4.16Å; K393-E442 HydrophobicContact CG-CB 4.11Å
394G87.8Confident94Very high16 Ų1620.3 Ų20.317%0.16510%0.103CC..THydrogen-bonded Turntrans80.1-2.9176.300000116.2T330 H392 E442T330-G394 PolarHBondContact N-O 2.79Å; T330-G394 WeakPolarHBondContact OG1-CA 3.38Å; H392-G394 PolarHBondContact O-N 3.06Å; G394-E442 PolarHBondContact N-O 3.45Å
395V93.8Very high94Very high0 Ų020.5 Ų20.50%011%0.105CC..  trans-70141.7175.4176.70000110.9D331 V333 L391 H392 K393 T443 G444 L445D331-V395 HydrophobicContact CB-CG1 4.27Å; D331-V395 HydrophobicContact CB-CG2 3.89Å; D331-V395 WeakPolarHBondContact O-CA 3.39Å; V333-V395 HydrophobicContact CB-CG1 4.4Å; V333-V395 HydrophobicContact CG2-CG1 3.94Å; L391-V395 HydrophobicContact CD2-CB 4.49Å; L391-V395 HydrophobicContact CD2-CG1 3.69Å; H392-V395 HydrophobicContact CB-CG2 4.49Å; H392-V395 VanDerWaalsContact CD2-CG2 3.47Å; H392-V395 WeakPolarHBondContact CD2-CG2 3.4Å; H392-V395 WeakPolarHBondContact CE1-CG2 3.5Å; H392-V395 VanDerWaalsContact NE2-CG2 3.34Å; H392-V395 WeakPolarHBondContact NE2-CG2 3.38Å; H392-V395 WeakPolarHBondContact O-CB 3.46Å; H392-V395 WeakPolarHBondContact O-CG2 3.49Å; H392-V395 PolarHBondContact O-N 3.06Å; H392-V395 VanDerWaalsContact O-N 3.08Å; K393-V395 VanDerWaalsContact C-N 3.3Å; K393-V395 PolarHBondContact O-N 2.75Å; V395-T443 CarbonylContact O-C 3.59Å; V395-T443 WeakPolarHBondContact O-CA 3.3Å; V395-T443 WeakPolarHBondContact O-CB 3.31Å; V395-G444 PolarHBondContact O-N 3.08Å; V395-L445 PolarHBondContact O-N 3.11Å
396Y97.9Very high94.2Very high2 Ų219 Ų191%0.00810%0.097CC..EExtended strand (participates in β ladder)trans-89.6113.2168.9-68.78.8000108.4A329 D331 K332 V333 L445 R546 A547 D550A329-Y396 HydrophobicContact CB-CD1 3.65Å; A329-Y396 HydrophobicContact CB-CD2 3.82Å; A329-Y396 HydrophobicContact CB-CE1 3.78Å; A329-Y396 HydrophobicContact CB-CE2 3.96Å; A329-Y396 HydrophobicContact CB-CG 3.67Å; D331-Y396 PolarHBondContact O-N 3.42Å; K332-Y396 HydrophobicContact CD-CD2 4.21Å; K332-Y396 HydrophobicContact CG-CD2 4.45Å; K332-Y396 HydrophobicContact CG-CG 4.48Å; V333-Y396 PolarHBondContact N-O 2.88Å; Y396-L445 HydrophobicContact CD1-CB 3.49Å; Y396-L445 VanDerWaalsContact CD1-CB 3.49Å; Y396-L445 HydrophobicContact CD2-CB 4.09Å; Y396-L445 HydrophobicContact CD2-CD2 3.73Å; Y396-L445 HydrophobicContact CE1-CB 3.83Å; Y396-L445 HydrophobicContact CE2-CB 4.37Å; Y396-L445 HydrophobicContact CE2-CD2 3.96Å; Y396-L445 HydrophobicContact CG-CB 3.64Å; Y396-L445 HydrophobicContact CG-CD2 4.1Å; Y396-L445 HydrophobicContact CG-CG 4.48Å; Y396-R546 HydrophobicContact CE2-CB 4.42Å; Y396-R546 WeakPolarHBondContact OH-CD 3.27Å; Y396-R546 WeakPolarHBondContact OH-CG 3.34Å; Y396-R546 PolarHBondContact OH-NH1 2.88Å; Y396-A547 WeakPolarHBondContact CE2-O 3.43Å; Y396-D550 HydrophobicContact CE2-CB 3.77Å; Y396-D550 VanDerWaalsContact CE2-OD2 3.3Å; Y396-D550 WeakPolarHBondContact CE2-OD2 3.45Å; Y396-D550 PolarHBondContact OH-OD2 2.72Å
397G97.9Very high94.4Very high1 Ų117.7 Ų17.71%0.019%0.091CC..EExtended strand (participates in β ladder)trans-100.8127.2176.600000110.8V333 L445 V447V333-G397 WeakPolarHBondContact O-CA 3.45Å; G397-L445 PolarHBondContact N-O 3.22Å; G397-V447 PolarHBondContact O-N 2.87Å
398L98.8Very high94.3Very high2 Ų217.5 Ų17.51%0.019%0.09CC..EExtended strand (participates in β ladder)trans-122.7125.2175.2-173.6151.2000110.6V333 A334 L335 L336 L362 F367 V447 L449 L548V333-L398 PolarHBondContact O-N 2.84Å; A334-L398 CarbonylContact C-O 3.51Å; A334-L398 WeakPolarHBondContact CA-O 3.32Å; A334-L398 HydrophobicContact CB-CB 4.11Å; A334-L398 HydrophobicContact CB-CD2 4.13Å; L335-L398 PolarHBondContact N-O 2.82Å; L336-L398 HydrophobicContact CD1-CD2 4.31Å; L362-L398 HydrophobicContact CD1-CD2 3.97Å; L362-L398 HydrophobicContact CD2-CD1 4.02Å; F367-L398 HydrophobicContact CE1-CB 4.12Å; L398-V447 CarbonylContact C-O 3.57Å; L398-V447 WeakPolarHBondContact CA-O 3.41Å; L398-V447 HydrophobicContact CB-CB 4.34Å; L398-V447 HydrophobicContact CD1-CB 4.15Å; L398-V447 HydrophobicContact CD1-CG1 4.12Å; L398-V447 HydrophobicContact CG-CB 4.07Å; L398-V447 HydrophobicContact CG-CG1 4.29Å; L398-L449 HydrophobicContact CD1-CD1 4.32Å; L398-L548 HydrophobicContact CD1-CD1 4.28Å; L398-L548 HydrophobicContact CD1-CD2 4.24Å
399L98.8Very high94.1Very high0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-111.3122.4169.6-176.772.3000108.8L335 M414 I434 V447 F448 L449L335-L399 HydrophobicContact CB-CD1 3.89Å; L335-L399 HydrophobicContact CD2-CD1 3.75Å; L335-L399 HydrophobicContact CG-CD1 3.81Å; L335-L399 WeakPolarHBondContact O-CA 3.42Å; L399-M414 HydrophobicContact CD2-CE 4.23Å; L399-M414 HydrophobicContact CD2-SD 4.29Å; L399-I434 HydrophobicContact CD2-CD1 4.05Å; L399-V447 PolarHBondContact N-O 2.97Å; L399-F448 HydrophobicContact CB-CD1 3.9Å; L399-F448 HydrophobicContact CB-CE1 4.02Å; L399-F448 HydrophobicContact CD2-CD1 3.79Å; L399-F448 HydrophobicContact CD2-CE1 3.66Å; L399-F448 HydrophobicContact CG-CD1 4.39Å; L399-F448 HydrophobicContact CG-CE1 4.49Å; L399-F448 WeakPolarHBondContact O-CA 3.34Å; L399-L449 PolarHBondContact O-N 2.96Å
400Y98.8Very high93.9Very high1 Ų119.6 Ų19.60%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-114.4134.8169.4171-98.6000109.6L335 L336 I337 D354 V355 L358 A402 L449 D451 F499 V500L335-Y400 PolarHBondContact O-N 3.22Å; L336-Y400 WeakPolarHBondContact CA-O 3.47Å; L336-Y400 HydrophobicContact CB-CD1 4.24Å; L336-Y400 HydrophobicContact CG-CD1 3.98Å; L336-Y400 HydrophobicContact CG-CG 4.34Å; I337-Y400 PolarHBondContact N-O 3.38Å; D354-Y400 WeakPolarHBondContact CB-OH 3.38Å; V355-Y400 HydrophobicContact CG2-CD1 4.19Å; V355-Y400 HydrophobicContact CG2-CE1 3.8Å; L358-Y400 HydrophobicContact CD1-CD1 3.89Å; L358-Y400 HydrophobicContact CD1-CD2 3.57Å; L358-Y400 HydrophobicContact CD1-CE1 3.75Å; L358-Y400 HydrophobicContact CD1-CE2 3.45Å; L358-Y400 VanDerWaalsContact CD1-CE2 3.45Å; L358-Y400 HydrophobicContact CD1-CG 3.8Å; Y400-A402 HydrophobicContact CE1-CB 3.86Å; Y400-A402 WeakPolarHBondContact OH-CB 3.44Å; Y400-L449 WeakPolarHBondContact CA-O 3.34Å; Y400-L449 HydrophobicContact CD2-CB 3.71Å; Y400-L449 WeakPolarHBondContact CD2-O 3.36Å; Y400-D451 HydrophobicContact CE2-CB 3.99Å; Y400-D451 PolarHBondContact OH-OD2 3.45Å; Y400-F499 HydrophobicContact CE2-CE1 4.42Å; Y400-V500 HydrophobicContact CE2-CG2 4.11Å; Y400-V500 WeakPolarHBondContact OH-CG2 3.31Å
401Y98.7Very high94Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-134.1129.2177.1174-100.3000110.3I337 Y342 M380 H404 M414 V415 L449 D451 M452I337-Y401 HydrophobicContact CB-CD2 4.07Å; I337-Y401 HydrophobicContact CG2-CD2 4.02Å; I337-Y401 HydrophobicContact CG2-CE2 4.2Å; I337-Y401 WeakPolarHBondContact O-CA 3.32Å; Y342-Y401 PolarHBondContact OH-OH 3.46Å; M380-Y401 HydrophobicContact CE-CD2 4.1Å; M380-Y401 HydrophobicContact CE-CE2 3.83Å; Y401-H404 WeakPolarHBondContact CE1-O 3.48Å; Y401-H404 PolarHBondContact OH-O 3.28Å; Y401-M414 VanDerWaalsContact CB-SD 3.55Å; Y401-M414 HydrophobicContact CD1-CB 4.07Å; Y401-M414 HydrophobicContact CD1-CG 3.63Å; Y401-M414 HydrophobicContact CD1-SD 4.07Å; Y401-M414 HydrophobicContact CD2-CB 4.09Å; Y401-M414 HydrophobicContact CD2-CG 4.05Å; Y401-M414 HydrophobicContact CD2-SD 3.73Å; Y401-M414 HydrophobicContact CE1-CB 3.84Å; Y401-M414 HydrophobicContact CE1-CG 3.92Å; Y401-M414 HydrophobicContact CE2-CB 3.89Å; Y401-M414 HydrophobicContact CE2-CG 4.33Å; Y401-M414 HydrophobicContact CE2-SD 4.48Å; Y401-M414 HydrophobicContact CG-CB 4.18Å; Y401-M414 HydrophobicContact CG-CG 3.69Å; Y401-M414 HydrophobicContact CG-SD 3.49Å; Y401-V415 PolarHBondContact OH-N 3.45Å; Y401-V415 PolarHBondContact OH-O 3.47Å; Y401-L449 PolarHBondContact N-O 3Å; Y401-D451 WeakPolarHBondContact O-CA 3.3Å; Y401-D451 PolarHBondContact O-N 3.22Å; Y401-M452 HydrophobicContact CD1-CB 4.16Å; Y401-M452 HydrophobicContact CD1-CG 4.34Å; Y401-M452 HydrophobicContact CD1-SD 3.55Å; Y401-M452 VanDerWaalsContact CD1-SD 3.55Å; Y401-M452 HydrophobicContact CE1-CB 3.98Å; Y401-M452 HydrophobicContact CE1-CG 4.43Å; Y401-M452 HydrophobicContact CE1-SD 3.65Å
402A97.6Very high94.2Very high2 Ų219.9 Ų19.92%0.01710%0.101CC..EExtended strand (participates in β ladder)trans-123.4122.7171.100000110.4I337 G338 N339 P351 Y400 D451I337-A402 PolarHBondContact O-N 2.81Å; G338-A402 WeakPolarHBondContact CA-O 3.42Å; N339-A402 PolarHBondContact N-O 2.94Å; P351-A402 HydrophobicContact CB-CB 3.74Å; P351-A402 HydrophobicContact CG-CB 4.12Å; Y400-A402 HydrophobicContact CE1-CB 3.86Å; Y400-A402 WeakPolarHBondContact OH-CB 3.44Å; A402-D451 WeakPolarHBondContact CA-O 3.3Å; A402-D451 HydrophobicContact CB-CB 4.21Å
403G96.3Very high94.6Very high6 Ų618.3 Ų18.36%0.0629%0.094CC..SBendtrans161.2-168.5-176.500000113.2Y342 D451 M452Y342-G403 WeakPolarHBondContact OH-CA 3.09Å; G403-D451 PolarHBondContact N-O 2.76Å; G403-M452 WeakPolarHBondContact O-CA 3.35Å; G403-M452 WeakPolarHBondContact O-CB 3.16Å
404H95.9Very high95Very high34 Ų3411.4 Ų11.416%0.1576%0.064CC..  trans-66141.5169.7-73.9-50.5000110.4Y342 P346 Y401 V415Y342-H404 AromaticContact CD1-CD2 3.81Å; Y342-H404 AromaticContact CD2-CD2 3.48Å; Y342-H404 VanDerWaalsContact CD2-CD2 3.48Å; Y342-H404 WeakPolarHBondContact CD2-CD2 3.38Å; Y342-H404 AromaticContact CD2-NE2 3.92Å; Y342-H404 HydrophobicContact CE1-CB 3.98Å; Y342-H404 AromaticContact CE1-CD2 3.67Å; Y342-H404 AromaticContact CE2-CD2 3.36Å; Y342-H404 WeakPolarHBondContact CE2-CD2 3.37Å; Y342-H404 AromaticContact CG-CD2 3.74Å; Y342-H404 AromaticContact CZ-CD2 3.46Å; Y342-H404 VanDerWaalsContact CZ-CD2 3.46Å; Y342-H404 AromaticContact CZ-CG 3.98Å; Y342-H404 PolarHBondContact OH-N 2.95Å; P346-H404 PolarHBondContact O-NE2 2.87Å; Y401-H404 WeakPolarHBondContact CE1-O 3.48Å; Y401-H404 PolarHBondContact OH-O 3.28Å; H404-V415 HydrophobicContact CB-CB 3.93Å; H404-V415 HydrophobicContact CB-CG1 4.39Å; H404-V415 HydrophobicContact CB-CG2 4.3Å; H404-V415 WeakPolarHBondContact O-CB 3.24Å; H404-V415 PolarHBondContact O-N 3.42Å; H404-V415 VanDerWaalsContact O-N 3.07Å
405G96.1Very high95.4Very high6 Ų610.7 Ų10.76%0.0626%0.056CC..EExtended strand (participates in β ladder)trans-158.4162.3-179.200000110.5F413 C453G405-F413 VanDerWaalsContact CA-O 3.22Å; G405-F413 WeakPolarHBondContact CA-O 3.31Å; G405-C453 CarbonylContact C-O 3.45Å; G405-C453 CarbonylContact O-C 3.59Å
406Y95.3Very high95.6Very high4 Ų410.7 Ų10.72%0.0166%0.056CC..EExtended strand (participates in β ladder)trans-146.3164.3175.273.9-88.6000110.6N408 F413 V415 Y423 S425 C428 K455 N457 D460Y406-N408 HydrophobicContact CD2-CB 4.49Å; Y406-N408 HydrophobicContact CE2-CB 4.3Å; Y406-F413 HydrophobicContact CD1-CB 3.69Å; Y406-F413 HydrophobicContact CD2-CB 4.35Å; Y406-F413 AromaticContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CG 4.49Å; Y406-F413 HydrophobicContact CE1-CB 3.31Å; Y406-F413 HydrophobicContact CE1-CD2 4.27Å; Y406-F413 AromaticContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE2-CB 4.04Å; Y406-F413 AromaticContact CE2-CD2 3.39Å; Y406-F413 HydrophobicContact CE2-CD2 3.39Å; Y406-F413 AromaticContact CE2-CE2 3.97Å; Y406-F413 HydrophobicContact CE2-CE2 3.97Å; Y406-F413 AromaticContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CG-CB 4.21Å; Y406-F413 AromaticContact CZ-CD2 3.57Å; Y406-F413 AromaticContact CZ-CG 3.47Å; Y406-F413 VanDerWaalsContact CZ-CG 3.47Å; Y406-F413 PolarHBondContact N-O 3.01Å; Y406-F413 VanDerWaalsContact N-O 3.14Å; Y406-F413 PolarHBondContact O-N 3.34Å; Y406-V415 HydrophobicContact CD1-CG2 4.01Å; Y406-V415 HydrophobicContact CE1-CG2 4.43Å; Y406-Y423 HydrophobicContact CD1-CD2 4.35Å; Y406-Y423 AromaticContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CE1-CD2 4.05Å; Y406-Y423 AromaticContact CE1-CE2 3.83Å; Y406-Y423 HydrophobicContact CE1-CE2 3.83Å; Y406-S425 WeakPolarHBondContact OH-CA 3.4Å; Y406-S425 PolarHBondContact OH-N 2.99Å; Y406-S425 VanDerWaalsContact OH-N 3.15Å; Y406-C428 HydrophobicContact CE1-CB 4.27Å; Y406-K455 WeakPolarHBondContact CA-O 3.43Å; Y406-K455 VanDerWaalsContact CB-O 3.28Å; Y406-K455 WeakPolarHBondContact CB-O 3.48Å; Y406-N457 HydrophobicContact CD1-CB 4.32Å; Y406-N457 HydrophobicContact CD2-CB 3.36Å; Y406-N457 HydrophobicContact CE2-CB 3.69Å; Y406-N457 HydrophobicContact CG-CB 3.7Å; Y406-D460 HydrophobicContact CE2-CB 4.31Å; Y406-D460 WeakPolarHBondContact CE2-OD2 3.11Å; Y406-D460 PolarHBondContact OH-OD2 3.26Å
407E94.1Very high95.6Very high3 Ų311 Ų111%0.0146%0.058CC..EExtended strand (participates in β ladder)trans-133.2120.2176.9-175.2165.1126.100111N411 S412 R454 K455 R456E407-N411 VanDerWaalsContact CA-O 3.3Å; E407-N411 WeakPolarHBondContact CA-O 3.36Å; E407-N411 WeakPolarHBondContact CG-O 3.33Å; E407-S412 PolarHBondContact OE2-OG 2.87Å; E407-R454 HydrophobicContact CB-CB 4.15Å; E407-R454 VanDerWaalsContact CD-NH2 3.27Å; E407-R454 IonicContact OE1-CZ 3.53Å; E407-R454 IonicContact OE1-NE 3.36Å; E407-R454 IonicContact OE1-NH2 3.73Å; E407-R454 PolarHBondContact OE1-NH2 2.89Å; E407-R454 IonicContact OE2-CZ 3.92Å; E407-R454 VanDerWaalsContact OE2-CZ 3.26Å; E407-R454 IonicContact OE2-NE 3.61Å; E407-R454 PolarHBondContact OE2-NE 2.69Å; E407-R454 IonicContact OE2-NH2 3.77Å; E407-R454 PolarHBondContact OE2-NH2 3.49Å; E407-K455 PolarHBondContact N-O 3.29Å; E407-R456 WeakPolarHBondContact O-CA 3.49Å
408N91.2Very high95.6Very high0 Ų013.5 Ų13.50%07%0.071CC..EExtended strand (participates in β ladder)trans-119.3123.2175.6-79.119000109.3Y406 G410 N411 F413 R456 N457 D460Y406-N408 HydrophobicContact CD2-CB 4.49Å; Y406-N408 HydrophobicContact CE2-CB 4.3Å; N408-G410 PolarHBondContact O-N 2.8Å; N408-G410 VanDerWaalsContact O-N 3.17Å; N408-N411 PolarHBondContact N-O 3.46Å; N408-N411 WeakPolarHBondContact O-CB 3.42Å; N408-N411 PolarHBondContact O-N 2.79Å; N408-F413 HydrophobicContact CB-CE2 4.49Å; N408-R456 WeakPolarHBondContact OD1-CA 3.17Å; N408-R456 VanDerWaalsContact OD1-CG 3.22Å; N408-R456 WeakPolarHBondContact OD1-CG 3.4Å; N408-N457 PolarHBondContact ND2-O 3.25Å; N408-N457 PolarHBondContact OD1-N 2.69Å; N408-D460 PolarHBondContact ND2-O 2.95Å
409Y88.5Confident95.5Very high117 Ų11713.5 Ų13.546%0.4597%0.072SC..THydrogen-bonded Turntrans54.334.1177.5-49.1-80.2000114.2N411 R456 T463Y409-N411 VanDerWaalsContact C-N 3.3Å; Y409-N411 PolarHBondContact O-N 2.95Å; Y409-R456 PolarHBondContact OH-NH2 2.82Å; Y409-T463 HydrophobicContact CD1-CG2 4.34Å; Y409-T463 HydrophobicContact CD2-CG2 3.54Å; Y409-T463 HydrophobicContact CE1-CG2 4.29Å; Y409-T463 HydrophobicContact CE2-CG2 3.49Å; Y409-T463 VanDerWaalsContact CE2-CG2 3.49Å; Y409-T463 HydrophobicContact CG-CG2 3.97Å
410G85.5Confident95.3Very high23 Ų2316 Ų1624%0.2379%0.087CC..THydrogen-bonded Turntrans80.82.9-178.600000115.2N408 Q432N408-G410 PolarHBondContact O-N 2.8Å; N408-G410 VanDerWaalsContact O-N 3.17Å; G410-Q432 PolarHBondContact O-NE2 3.31Å
411N91.2Very high95.1Very high19 Ų1921.4 Ų21.410%0.10212%0.117CC..EExtended strand (participates in β ladder)trans-96.1126.6169.9-63.4-66.8000110E407 N408 Y409 F413 P464E407-N411 VanDerWaalsContact CA-O 3.3Å; E407-N411 WeakPolarHBondContact CA-O 3.36Å; E407-N411 WeakPolarHBondContact CG-O 3.33Å; N408-N411 PolarHBondContact N-O 3.46Å; N408-N411 WeakPolarHBondContact O-CB 3.42Å; N408-N411 PolarHBondContact O-N 2.79Å; Y409-N411 VanDerWaalsContact C-N 3.3Å; Y409-N411 PolarHBondContact O-N 2.95Å; N411-F413 HydrophobicContact CB-CE2 3.72Å; N411-F413 HydrophobicContact CB-CZ 4.13Å; N411-F413 WeakPolarHBondContact O-CD2 3.31Å; N411-F413 WeakPolarHBondContact O-CE2 3.43Å; N411-P464 HydrophobicContact CB-CG 4.45Å; N411-P464 PolarHBondContact ND2-O 2.57Å
412S95.6Very high94.9Very high0 Ų024.2 Ų24.20%014%0.135CC..EExtended strand (participates in β ladder)trans-97.3134.2-177.5-40.80000109.5E407 V431 Q432E407-S412 PolarHBondContact OE2-OG 2.87Å; S412-V431 WeakPolarHBondContact O-CG2 3.46Å; S412-V431 PolarHBondContact O-N 3.21Å; S412-Q432 PolarHBondContact OG-NE2 2.95Å
413F96.6Very high94.7Very high4 Ų426.1 Ų26.12%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-123.3129-176.1-66.1-92.6000110.8G405 Y406 N408 N411 C428 L429 C430 P464G405-F413 VanDerWaalsContact CA-O 3.22Å; G405-F413 WeakPolarHBondContact CA-O 3.31Å; Y406-F413 HydrophobicContact CD1-CB 3.69Å; Y406-F413 HydrophobicContact CD2-CB 4.35Å; Y406-F413 AromaticContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CD2 3.96Å; Y406-F413 HydrophobicContact CD2-CG 4.49Å; Y406-F413 HydrophobicContact CE1-CB 3.31Å; Y406-F413 HydrophobicContact CE1-CD2 4.27Å; Y406-F413 AromaticContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE1-CG 3.86Å; Y406-F413 HydrophobicContact CE2-CB 4.04Å; Y406-F413 AromaticContact CE2-CD2 3.39Å; Y406-F413 HydrophobicContact CE2-CD2 3.39Å; Y406-F413 AromaticContact CE2-CE2 3.97Å; Y406-F413 HydrophobicContact CE2-CE2 3.97Å; Y406-F413 AromaticContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CE2-CG 3.83Å; Y406-F413 HydrophobicContact CG-CB 4.21Å; Y406-F413 AromaticContact CZ-CD2 3.57Å; Y406-F413 AromaticContact CZ-CG 3.47Å; Y406-F413 VanDerWaalsContact CZ-CG 3.47Å; Y406-F413 PolarHBondContact N-O 3.01Å; Y406-F413 VanDerWaalsContact N-O 3.14Å; Y406-F413 PolarHBondContact O-N 3.34Å; N408-F413 HydrophobicContact CB-CE2 4.49Å; N411-F413 HydrophobicContact CB-CE2 3.72Å; N411-F413 HydrophobicContact CB-CZ 4.13Å; N411-F413 WeakPolarHBondContact O-CD2 3.31Å; N411-F413 WeakPolarHBondContact O-CE2 3.43Å; F413-C428 HydrophobicContact CB-CB 4.16Å; F413-C428 HydrophobicContact CD1-CB 4.27Å; F413-L429 VanDerWaalsContact CA-O 3.32Å; F413-L429 WeakPolarHBondContact CA-O 3.3Å; F413-C430 HydrophobicContact CD1-CB 3.96Å; F413-C430 HydrophobicContact CE1-CB 3.67Å; F413-C430 HydrophobicContact CZ-CB 4.4Å; F413-P464 HydrophobicContact CZ-CG 4.1Å
414M98Very high94.5Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-90.7129.8173.8-56.6177.3-65.900109M380 L399 Y401 C428 L429 V431 I434 M452M380-M414 HydrophobicContact CE-CB 3.83Å; M380-M414 HydrophobicContact CE-CE 4.18Å; M380-M414 HydrophobicContact CE-SD 4.34Å; L399-M414 HydrophobicContact CD2-CE 4.23Å; L399-M414 HydrophobicContact CD2-SD 4.29Å; Y401-M414 VanDerWaalsContact CB-SD 3.55Å; Y401-M414 HydrophobicContact CD1-CB 4.07Å; Y401-M414 HydrophobicContact CD1-CG 3.63Å; Y401-M414 HydrophobicContact CD1-SD 4.07Å; Y401-M414 HydrophobicContact CD2-CB 4.09Å; Y401-M414 HydrophobicContact CD2-CG 4.05Å; Y401-M414 HydrophobicContact CD2-SD 3.73Å; Y401-M414 HydrophobicContact CE1-CB 3.84Å; Y401-M414 HydrophobicContact CE1-CG 3.92Å; Y401-M414 HydrophobicContact CE2-CB 3.89Å; Y401-M414 HydrophobicContact CE2-CG 4.33Å; Y401-M414 HydrophobicContact CE2-SD 4.48Å; Y401-M414 HydrophobicContact CG-CB 4.18Å; Y401-M414 HydrophobicContact CG-CG 3.69Å; Y401-M414 HydrophobicContact CG-SD 3.49Å; M414-C428 WeakPolarHBondContact O-CB 3.17Å; M414-L429 HydrophobicContact CB-CB 4.46Å; M414-L429 HydrophobicContact CE-CB 3.73Å; M414-L429 HydrophobicContact CE-CD2 4.31Å; M414-L429 PolarHBondContact N-O 2.87Å; M414-L429 PolarHBondContact O-N 2.77Å; M414-L429 VanDerWaalsContact O-N 3.08Å; M414-V431 HydrophobicContact CE-CG2 4.21Å; M414-V431 HydrophobicContact CG-CG2 3.87Å; M414-V431 HydrophobicContact SD-CG2 4.1Å; M414-I434 HydrophobicContact CE-CD1 3.57Å; M414-M452 HydrophobicContact CG-SD 4.19Å
415V97.9Very high94.3Very high0 Ų029.6 Ų29.60%016%0.16CC..PPolyproline II helixtrans-97.2120.2-175.2-176.70000110.2N339 Y342 Y401 H404 Y406 A419 Y423N339-V415 PolarHBondContact ND2-O 3.07Å; Y342-V415 HydrophobicContact CE1-CG1 4.26Å; Y342-V415 WeakPolarHBondContact CE1-O 3.45Å; Y342-V415 PolarHBondContact OH-O 2.86Å; Y401-V415 PolarHBondContact OH-N 3.45Å; Y401-V415 PolarHBondContact OH-O 3.47Å; H404-V415 HydrophobicContact CB-CB 3.93Å; H404-V415 HydrophobicContact CB-CG1 4.39Å; H404-V415 HydrophobicContact CB-CG2 4.3Å; H404-V415 WeakPolarHBondContact O-CB 3.24Å; H404-V415 PolarHBondContact O-N 3.42Å; H404-V415 VanDerWaalsContact O-N 3.07Å; Y406-V415 HydrophobicContact CD1-CG2 4.01Å; Y406-V415 HydrophobicContact CE1-CG2 4.43Å; V415-A419 HydrophobicContact CG1-CB 3.5Å; V415-A419 VanDerWaalsContact CG1-CB 3.5Å; V415-Y423 HydrophobicContact CG1-CD1 4.33Å; V415-Y423 HydrophobicContact CG1-CE1 4.2Å; V415-Y423 HydrophobicContact CG2-CD2 4.36Å; V415-Y423 HydrophobicContact CG2-CE2 3.8Å
416P98.1Very high94Very high0 Ų032.6 Ų32.60%018%0.184CC..PPolyproline II helixtrans-70.9162.4176.3-20.634.4000114.1Y342 E377 M380 D418 A419 N427 L429Y342-P416 WeakPolarHBondContact CE1-O 3.3Å; E377-P416 HydrophobicContact CB-CB 4.14Å; E377-P416 HydrophobicContact CB-CG 3.75Å; E377-P416 HydrophobicContact CG-CG 4.07Å; E377-P416 VanDerWaalsContact N-CB 3.32Å; M380-P416 HydrophobicContact SD-CB 3.96Å; M380-P416 HydrophobicContact SD-CG 3.83Å; P416-D418 VanDerWaalsContact C-N 3.26Å; P416-D418 VanDerWaalsContact CB-OD1 3.24Å; P416-D418 WeakPolarHBondContact CB-OD1 3.33Å; P416-D418 PolarHBondContact O-N 3.17Å; P416-A419 VanDerWaalsContact O-CB 3.3Å; P416-A419 WeakPolarHBondContact O-CB 3.42Å; P416-A419 PolarHBondContact O-N 3.48Å; P416-N427 WeakPolarHBondContact CD-O 3.38Å; P416-N427 WeakPolarHBondContact CG-O 3.43Å; P416-L429 HydrophobicContact CG-CD1 4.06Å
417V97.4Very high93.9Very high8 Ų834.5 Ų34.55%0.04820%0.195CC..THydrogen-bonded Turntrans-67.9-23.4-178.4-60.10000114.2N339 Q343 D374 L375 T376N339-V417 HydrophobicContact CB-CG1 3.78Å; Q343-V417 PolarHBondContact N-O 2.84Å; D374-V417 HydrophobicContact CB-CG1 4.15Å; L375-V417 PolarHBondContact O-N 3.05Å; L375-V417 VanDerWaalsContact O-N 3.15Å; T376-V417 HydrophobicContact CG2-CG2 4.39Å
418D96.4Very high94Very high55 Ų5534.5 Ų34.529%0.29420%0.195SC..THydrogen-bonded Turntrans-937.317865.9-35.2000113.4T376 E377 P416T376-D418 WeakPolarHBondContact CA-OD1 3.22Å; T376-D418 WeakPolarHBondContact CB-OD1 3.13Å; T376-D418 WeakPolarHBondContact CB-OD2 3.42Å; T376-D418 HydrophobicContact CG2-CB 4.07Å; E377-D418 PolarHBondContact N-OD1 3.14Å; P416-D418 VanDerWaalsContact C-N 3.26Å; P416-D418 VanDerWaalsContact CB-OD1 3.24Å; P416-D418 WeakPolarHBondContact CB-OD1 3.33Å; P416-D418 PolarHBondContact O-N 3.17Å
419A96.7Very high94.2Very high2 Ų234.8 Ų34.82%0.01720%0.196CC..  trans-57.3134.5179.700000111.6N344 H345 V415 P416 Y423N344-A419 PolarHBondContact ND2-O 3.42Å; H345-A419 PolarHBondContact NE2-O 3.38Å; V415-A419 HydrophobicContact CG1-CB 3.5Å; V415-A419 VanDerWaalsContact CG1-CB 3.5Å; P416-A419 VanDerWaalsContact O-CB 3.3Å; P416-A419 WeakPolarHBondContact O-CB 3.42Å; P416-A419 PolarHBondContact O-N 3.48Å; A419-Y423 HydrophobicContact CB-CD1 4.35Å; A419-Y423 HydrophobicContact CB-CG 4.48Å
420P96.4Very high94.6Very high51 Ų5129.8 Ų29.833%0.33118%0.178SC..  trans-68.6168.817629.5-34.5000111.1H345 P422 Y423H345-P420 PolarHBondContact CE1-O 2.97Å; H345-P420 PolarHBondContact NE2-O 3.41Å; P420-P422 CarbonylContact C-O 3.43Å; P420-P422 CarbonylContact O-C 3.37Å; P420-Y423 WeakPolarHBondContact O-CB 3.42Å; P420-Y423 WeakPolarHBondContact O-CD1 3.36Å; P420-Y423 PolarHBondContact O-N 2.91Å
421N94Very high95.1Very high115 Ų11528.7 Ų28.762%0.61517%0.167SC*.SBendtrans-123.4108.6173.3-169.6-1000110N344N344-N421 HydrophobicContact CB-CB 3.97Å; N344-N421 PolarHBondContact O-ND2 2.87Å
422P93.8Very high95.2Very high59 Ų5928.5 Ų28.538%0.38317%0.166SC..SBendcis-76.3165.11.333.3-36.1000113.4P420 H459P420-P422 CarbonylContact C-O 3.43Å; P420-P422 CarbonylContact O-C 3.37Å; P422-H459 HydrophobicContact CB-CB 4.11Å
423Y93.6Very high95.1Very high42 Ų4229 Ų2917%0.16517%0.169CC..  trans-116.2158.1174.152-97.3000112.4H345 Y406 V415 A419 P420 N457H345-Y423 AromaticContact CE1-CD1 3.38Å; H345-Y423 WeakPolarHBondContact CE1-CD1 3.48Å; H345-Y423 AromaticContact CE1-CE1 3.34Å; H345-Y423 WeakPolarHBondContact CE1-CE1 3.4Å; H345-Y423 AromaticContact ND1-CE1 3.87Å; H345-Y423 AromaticContact NE2-CD1 3.36Å; H345-Y423 WeakPolarHBondContact NE2-CD1 3.18Å; H345-Y423 AromaticContact NE2-CE1 3.65Å; Y406-Y423 HydrophobicContact CD1-CD2 4.35Å; Y406-Y423 AromaticContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CD1-CE2 3.66Å; Y406-Y423 HydrophobicContact CE1-CD2 4.05Å; Y406-Y423 AromaticContact CE1-CE2 3.83Å; Y406-Y423 HydrophobicContact CE1-CE2 3.83Å; V415-Y423 HydrophobicContact CG1-CD1 4.33Å; V415-Y423 HydrophobicContact CG1-CE1 4.2Å; V415-Y423 HydrophobicContact CG2-CD2 4.36Å; V415-Y423 HydrophobicContact CG2-CE2 3.8Å; A419-Y423 HydrophobicContact CB-CD1 4.35Å; A419-Y423 HydrophobicContact CB-CG 4.48Å; P420-Y423 WeakPolarHBondContact O-CB 3.42Å; P420-Y423 WeakPolarHBondContact O-CD1 3.36Å; P420-Y423 PolarHBondContact O-N 2.91Å; Y423-N457 PolarHBondContact O-ND2 2.86Å
424H93.3Very high95.1Very high82 Ų8229.1 Ų29.138%0.3817%0.17SC..  trans-125.7172.7176.8-56.2-81000111.1A426 N427 H459H424-A426 PolarHBondContact O-N 2.97Å; H424-A426 VanDerWaalsContact O-N 3.09Å; H424-N427 PolarHBondContact N-OD1 3.5Å; H424-N427 WeakPolarHBondContact O-CB 3.14Å; H424-N427 PolarHBondContact O-N 2.83Å; H424-N427 PolarHBondContact O-OD1 2.89Å; H424-H459 PolarHBondContact CE1-O 2.68Å; H424-H459 PolarHBondContact ND1-O 2.79Å
425S91.9Very high95Very high31 Ų3129.2 Ų29.222%0.21717%0.17CC..G310 helixtrans-55.7-28.9178.553.30000114.5Y406 N427 C428 D460 S462Y406-S425 WeakPolarHBondContact OH-CA 3.4Å; Y406-S425 PolarHBondContact OH-N 2.99Å; Y406-S425 VanDerWaalsContact OH-N 3.15Å; S425-N427 PolarHBondContact O-N 3.15Å; S425-C428 PolarHBondContact O-N 3.13Å; S425-C428 VanDerWaalsContact O-N 3.16Å; S425-D460 VanDerWaalsContact CB-OD2 3.26Å; S425-D460 WeakPolarHBondContact CB-OD2 3.49Å; S425-D460 PolarHBondContact N-OD2 3.16Å; S425-D460 PolarHBondContact OG-OD1 3.32Å; S425-S462 WeakPolarHBondContact CB-OG 3.49Å; S425-S462 PolarHBondContact OG-OG 2.83Å
426A89Confident94.8Very high70 Ų7032.5 Ų32.558%0.57919%0.185SC*.G310 helixtrans-62-31.8175.900000112.8R381 H424 C428R381-A426 PolarHBondContact NH2-O 2.88Å; H424-A426 PolarHBondContact O-N 2.97Å; H424-A426 VanDerWaalsContact O-N 3.09Å; A426-C428 VanDerWaalsContact C-N 3.28Å
427N93.4Very high94.7Very high44 Ų4434.1 Ų34.124%0.23519%0.193CC..G310 helixtrans-87.33.1179.6-52.695.2000112.8E377 P416 H424 S425E377-N427 WeakPolarHBondContact OE2-CA 3.5Å; P416-N427 WeakPolarHBondContact CD-O 3.38Å; P416-N427 WeakPolarHBondContact CG-O 3.43Å; H424-N427 PolarHBondContact N-OD1 3.5Å; H424-N427 WeakPolarHBondContact O-CB 3.14Å; H424-N427 PolarHBondContact O-N 2.83Å; H424-N427 PolarHBondContact O-OD1 2.89Å; S425-N427 PolarHBondContact O-N 3.15Å
428C95.6Very high94.6Very high2 Ų233.8 Ų33.81%0.01419%0.191CC..SBendtrans-130.6170.6-169.8-61.80000111.3R381 Y406 F413 M414 S425 A426R381-C428 PolarHBondContact NH2-O 2.98Å; Y406-C428 HydrophobicContact CE1-CB 4.27Å; F413-C428 HydrophobicContact CB-CB 4.16Å; F413-C428 HydrophobicContact CD1-CB 4.27Å; M414-C428 WeakPolarHBondContact O-CB 3.17Å; S425-C428 PolarHBondContact O-N 3.13Å; S425-C428 VanDerWaalsContact O-N 3.16Å; A426-C428 VanDerWaalsContact C-N 3.28Å
429L95.8Very high94.4Very high6 Ų631.4 Ų31.43%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-108.3119.4177.3-76.481.6000110.4E377 M380 R381 V384 F413 M414 P416E377-L429 HydrophobicContact CG-CD1 4.34Å; M380-L429 HydrophobicContact CB-CD1 3.68Å; M380-L429 HydrophobicContact CB-CD2 3.69Å; M380-L429 HydrophobicContact CB-CG 4.35Å; M380-L429 HydrophobicContact CE-CD1 4.24Å; M380-L429 HydrophobicContact CE-CD2 4.39Å; M380-L429 HydrophobicContact CG-CD1 4.45Å; M380-L429 HydrophobicContact SD-CD1 4.05Å; R381-L429 HydrophobicContact CG-CD1 4.28Å; R381-L429 HydrophobicContact CG-CD2 4.11Å; R381-L429 HydrophobicContact CG-CG 4.15Å; V384-L429 HydrophobicContact CG2-CD2 4.12Å; F413-L429 VanDerWaalsContact CA-O 3.32Å; F413-L429 WeakPolarHBondContact CA-O 3.3Å; M414-L429 HydrophobicContact CB-CB 4.46Å; M414-L429 HydrophobicContact CE-CB 3.73Å; M414-L429 HydrophobicContact CE-CD2 4.31Å; M414-L429 PolarHBondContact N-O 2.87Å; M414-L429 PolarHBondContact O-N 2.77Å; M414-L429 VanDerWaalsContact O-N 3.08Å; P416-L429 HydrophobicContact CG-CD1 4.06Å
430C95.6Very high94.2Very high12 Ų1236.6 Ų36.68%0.08120%0.202CC..EExtended strand (participates in β ladder)trans-79.9117.5175.9178.60000110.8F413 Q432 S433 I434 I466F413-C430 HydrophobicContact CD1-CB 3.96Å; F413-C430 HydrophobicContact CE1-CB 3.67Å; F413-C430 HydrophobicContact CZ-CB 4.4Å; C430-Q432 VanDerWaalsContact C-N 3.33Å; C430-Q432 PolarHBondContact O-N 2.85Å; C430-S433 WeakPolarHBondContact O-CB 3.26Å; C430-S433 PolarHBondContact O-N 2.91Å; C430-S433 VanDerWaalsContact O-N 3.15Å; C430-I434 PolarHBondContact O-N 3.32Å; C430-I466 WeakPolarHBondContact SG-CD1 3.41Å
431V96.6Very high94Very high0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-63.9-38.6-177.4-179.90000111.7S412 M414 S433 I434 L435 F448 L450 F476S412-V431 WeakPolarHBondContact O-CG2 3.46Å; S412-V431 PolarHBondContact O-N 3.21Å; M414-V431 HydrophobicContact CE-CG2 4.21Å; M414-V431 HydrophobicContact CG-CG2 3.87Å; M414-V431 HydrophobicContact SD-CG2 4.1Å; V431-S433 PolarHBondContact O-N 3.22Å; V431-I434 WeakPolarHBondContact O-CB 3.17Å; V431-I434 PolarHBondContact O-N 3.07Å; V431-I434 VanDerWaalsContact O-N 3.09Å; V431-L435 PolarHBondContact O-N 3.36Å; V431-F448 HydrophobicContact CG1-CD1 3.31Å; V431-F448 HydrophobicContact CG1-CE1 3.54Å; V431-F448 HydrophobicContact CG1-CG 4.09Å; V431-F448 HydrophobicContact CG1-CZ 4.48Å; V431-L450 HydrophobicContact CG1-CD1 4.18Å; V431-L450 HydrophobicContact CG2-CD1 4.07Å; V431-L450 HydrophobicContact CG2-CD2 4.18Å; V431-F476 HydrophobicContact CG1-CE1 3.86Å
432Q94.4Very high94Very high15 Ų1538.1 Ų38.17%0.0720%0.2CC..Hα-helixtrans-63.8-29.6178.3-72.569.823.800112G410 S412 C430 K436 I466G410-Q432 PolarHBondContact O-NE2 3.31Å; S412-Q432 PolarHBondContact OG-NE2 2.95Å; C430-Q432 VanDerWaalsContact C-N 3.33Å; C430-Q432 PolarHBondContact O-N 2.85Å; Q432-K436 PolarHBondContact O-N 2.66Å; Q432-K436 VanDerWaalsContact O-N 3.11Å; Q432-I466 HydrophobicContact CB-CD1 3.76Å; Q432-I466 HydrophobicContact CB-CG2 4.35Å
433S93.6Very high94Very high10 Ų1035.6 Ų35.67%0.0718%0.183CC..Hα-helixtrans-68.8-39.7174.1-61.20000111.3C430 V431 K436 L437 I466C430-S433 WeakPolarHBondContact O-CB 3.26Å; C430-S433 PolarHBondContact O-N 2.91Å; C430-S433 VanDerWaalsContact O-N 3.15Å; V431-S433 PolarHBondContact O-N 3.22Å; S433-K436 PolarHBondContact O-N 3.43Å; S433-L437 WeakPolarHBondContact O-CG 3.43Å; S433-L437 PolarHBondContact O-N 3.49Å; S433-I466 WeakPolarHBondContact OG-CD1 3.39Å
434I96.2Very high94Very high8 Ų834 Ų344%0.04118%0.18CC..Hα-helixtrans-64-46.7175.4-55.2175.9000110.1V384 L399 M414 C430 V431 K436 L437 M438 F448V384-I434 HydrophobicContact CG1-CD1 4.05Å; V384-I434 HydrophobicContact CG1-CG1 3.99Å; V384-I434 HydrophobicContact CG1-CG2 3.92Å; V384-I434 HydrophobicContact CG2-CD1 3.9Å; L399-I434 HydrophobicContact CD2-CD1 4.05Å; M414-I434 HydrophobicContact CE-CD1 3.57Å; C430-I434 PolarHBondContact O-N 3.32Å; V431-I434 WeakPolarHBondContact O-CB 3.17Å; V431-I434 PolarHBondContact O-N 3.07Å; V431-I434 VanDerWaalsContact O-N 3.09Å; I434-K436 VanDerWaalsContact C-N 3.3Å; I434-K436 PolarHBondContact O-N 2.95Å; I434-L437 PolarHBondContact O-N 2.99Å; I434-L437 VanDerWaalsContact O-N 3.08Å; I434-M438 HydrophobicContact CG2-CG 4.39Å; I434-M438 HydrophobicContact CG2-SD 4.23Å; I434-M438 WeakPolarHBondContact O-CG 3.34Å; I434-M438 PolarHBondContact O-N 3.38Å; I434-F448 HydrophobicContact CB-CE1 4.43Å; I434-F448 HydrophobicContact CG2-CE1 4.29Å; I434-F448 HydrophobicContact CG2-CZ 4.43Å
435L95.9Very high94.2Very high1 Ų130.1 Ų30.11%0.00516%0.162CC..Hα-helixtrans-56.4-43.3177.2170.959.1000112V431 L437 M438 Q439 N446 F448 L468 I474 F476V431-L435 PolarHBondContact O-N 3.36Å; L435-L437 VanDerWaalsContact C-N 3.3Å; L435-L437 PolarHBondContact O-N 2.83Å; L435-M438 PolarHBondContact O-N 3.08Å; L435-Q439 HydrophobicContact CD1-CG 4.17Å; L435-Q439 WeakPolarHBondContact O-CG 3.28Å; L435-Q439 PolarHBondContact O-N 3Å; L435-N446 HydrophobicContact CD1-CB 4.06Å; L435-F448 HydrophobicContact CB-CE2 3.86Å; L435-F448 HydrophobicContact CB-CZ 3.72Å; L435-F448 HydrophobicContact CD1-CE2 3.75Å; L435-F448 HydrophobicContact CD1-CZ 4.38Å; L435-F448 HydrophobicContact CG-CE2 4.26Å; L435-L468 HydrophobicContact CD2-CD1 3.66Å; L435-L468 HydrophobicContact CD2-CD2 4.23Å; L435-L468 HydrophobicContact CG-CD1 4.44Å; L435-L468 HydrophobicContact CG-CD2 4.11Å; L435-I474 HydrophobicContact CD1-CD1 4.13Å; L435-I474 HydrophobicContact CD1-CG1 4.12Å; L435-I474 HydrophobicContact CD1-CG2 3.94Å; L435-I474 HydrophobicContact CD2-CD1 4.21Å; L435-I474 HydrophobicContact CD2-CG2 3.9Å; L435-F476 HydrophobicContact CD2-CE2 3.75Å; L435-F476 HydrophobicContact CD2-CZ 3.73Å
436K94.4Very high94.5Very high69 Ų6928.7 Ų28.730%0.315%0.152SC..Hα-helixtrans-56.3-45.5176.1-176.4-176.5171.9-170.80111.6Q432 S433 I434 Q439 E440 I466 L468Q432-K436 PolarHBondContact O-N 2.66Å; Q432-K436 VanDerWaalsContact O-N 3.11Å; S433-K436 PolarHBondContact O-N 3.43Å; I434-K436 VanDerWaalsContact C-N 3.3Å; I434-K436 PolarHBondContact O-N 2.95Å; K436-Q439 WeakPolarHBondContact O-CB 3.41Å; K436-Q439 PolarHBondContact O-N 2.88Å; K436-E440 WeakPolarHBondContact O-CG 3.12Å; K436-E440 PolarHBondContact O-N 3.22Å; K436-E440 VanDerWaalsContact O-N 3.13Å; K436-I466 HydrophobicContact CB-CG2 4.45Å; K436-I466 HydrophobicContact CD-CG2 4.39Å; K436-L468 HydrophobicContact CB-CD2 3.93Å
437L94.4Very high95Very high35 Ų3525.4 Ų25.418%0.18313%0.125CC..Hα-helixtrans-67.9-36.2179.2-63.3167.6000112.1L388 S433 I434 L435 Q439 E440 K441 C716L388-L437 HydrophobicContact CD1-CB 3.83Å; L388-L437 HydrophobicContact CD1-CD1 3.73Å; L388-L437 HydrophobicContact CD1-CG 4.41Å; L388-L437 HydrophobicContact CD2-CB 3.89Å; S433-L437 WeakPolarHBondContact O-CG 3.43Å; S433-L437 PolarHBondContact O-N 3.49Å; I434-L437 PolarHBondContact O-N 2.99Å; I434-L437 VanDerWaalsContact O-N 3.08Å; L435-L437 VanDerWaalsContact C-N 3.3Å; L435-L437 PolarHBondContact O-N 2.83Å; L437-Q439 VanDerWaalsContact C-N 3.32Å; L437-Q439 PolarHBondContact O-N 3.49Å; L437-E440 WeakPolarHBondContact O-CB 3.47Å; L437-E440 PolarHBondContact O-N 3.17Å; L437-K441 PolarHBondContact O-N 3.14Å; L437-C716 HydrophobicContact CD1-CB 3.29Å
438M95.6Very high95.2Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-63.5-38.5172.4-63.3176.672.900111.7F387 L388 L391 I434 L435 E440 K441 T443 N446 F448F387-M438 HydrophobicContact CE1-CE 3.83Å; F387-M438 HydrophobicContact CE1-CG 4.36Å; F387-M438 HydrophobicContact CE1-SD 3.89Å; F387-M438 HydrophobicContact CZ-CE 3.75Å; F387-M438 HydrophobicContact CZ-SD 4.4Å; L388-M438 HydrophobicContact CD2-CG 3.65Å; L391-M438 HydrophobicContact CD1-CB 4.19Å; L391-M438 HydrophobicContact CD1-CE 3.77Å; L391-M438 HydrophobicContact CD1-CG 3.64Å; L391-M438 HydrophobicContact CD1-SD 4.4Å; I434-M438 HydrophobicContact CG2-CG 4.39Å; I434-M438 HydrophobicContact CG2-SD 4.23Å; I434-M438 WeakPolarHBondContact O-CG 3.34Å; I434-M438 PolarHBondContact O-N 3.38Å; L435-M438 PolarHBondContact O-N 3.08Å; M438-E440 VanDerWaalsContact C-N 3.31Å; M438-E440 PolarHBondContact O-N 3.28Å; M438-K441 WeakPolarHBondContact O-CB 3.5Å; M438-K441 PolarHBondContact O-N 3.22Å; M438-K441 VanDerWaalsContact O-N 3.08Å; M438-T443 PolarHBondContact O-OG1 2.95Å; M438-N446 WeakPolarHBondContact CB-OD1 3.46Å; M438-N446 HydrophobicContact CE-CB 4.42Å; M438-N446 WeakPolarHBondContact CE-OD1 3.3Å; M438-F448 HydrophobicContact SD-CE1 4.23Å; M438-F448 HydrophobicContact SD-CE2 3.86Å; M438-F448 HydrophobicContact SD-CZ 3.36Å; M438-F448 WeakPolarHBondContact SD-CZ 3.41Å
439Q92.3Very high95.3Very high5 Ų523.4 Ų23.42%0.02311%0.114CC..Hα-helixtrans-64.8-33.6175.4-69-174.8-39.400112.8L435 K436 L437 K441 E442 R469 T471 I474L435-Q439 HydrophobicContact CD1-CG 4.17Å; L435-Q439 WeakPolarHBondContact O-CG 3.28Å; L435-Q439 PolarHBondContact O-N 3Å; K436-Q439 WeakPolarHBondContact O-CB 3.41Å; K436-Q439 PolarHBondContact O-N 2.88Å; L437-Q439 VanDerWaalsContact C-N 3.32Å; L437-Q439 PolarHBondContact O-N 3.49Å; Q439-K441 PolarHBondContact O-N 3.28Å; Q439-E442 PolarHBondContact O-N 2.96Å; Q439-E442 VanDerWaalsContact O-N 3.11Å; Q439-R469 PolarHBondContact NE2-O 3.23Å; Q439-T471 HydrophobicContact CB-CG2 4.39Å; Q439-T471 HydrophobicContact CG-CG2 4.09Å; Q439-T471 PolarHBondContact NE2-OG1 2.76Å; Q439-T471 VanDerWaalsContact NE2-OG1 3.08Å; Q439-I474 VanDerWaalsContact NE2-CD1 3.35Å
440E93.4Very high95.5Very high112 Ų11223.1 Ų23.152%0.52311%0.112SC..Hα-helixtrans-64.6-22174-69.1170.7-169.300112.2K436 L437 M438 E442K436-E440 WeakPolarHBondContact O-CG 3.12Å; K436-E440 PolarHBondContact O-N 3.22Å; K436-E440 VanDerWaalsContact O-N 3.13Å; L437-E440 WeakPolarHBondContact O-CB 3.47Å; L437-E440 PolarHBondContact O-N 3.17Å; M438-E440 VanDerWaalsContact C-N 3.31Å; M438-E440 PolarHBondContact O-N 3.28Å; E440-E442 VanDerWaalsContact C-N 3.35Å
441K91.6Very high95.5Very high82 Ų8223.3 Ų23.336%0.35711%0.112SC..THydrogen-bonded Turntrans-85.8-0.4174-58.8-64.2-173.5164.10114.3L388 L391 H392 K393 L437 M438 Q439 T443L388-K441 WeakPolarHBondContact O-CE 3.28Å; L391-K441 HydrophobicContact CB-CB 4.04Å; L391-K441 HydrophobicContact CB-CG 4.12Å; H392-K441 CarbonylContact C-O 3.23Å; H392-K441 WeakPolarHBondContact CA-O 3.46Å; K393-K441 PolarHBondContact N-O 3.03Å; L437-K441 PolarHBondContact O-N 3.14Å; M438-K441 WeakPolarHBondContact O-CB 3.5Å; M438-K441 PolarHBondContact O-N 3.22Å; M438-K441 VanDerWaalsContact O-N 3.08Å; Q439-K441 PolarHBondContact O-N 3.28Å; K441-T443 VanDerWaalsContact C-N 3.25Å; K441-T443 HydrophobicContact CB-CG2 4.38Å; K441-T443 PolarHBondContact O-N 3.37Å
442E93.1Very high95.4Very high116 Ų11623.4 Ų23.454%0.54211%0.113SC..THydrogen-bonded Turntrans5635.5-178.6-60.4179.4-129.500113.9K393 G394 Q439 E440K393-E442 VanDerWaalsContact CA-O 3.26Å; K393-E442 WeakPolarHBondContact CA-O 2.99Å; K393-E442 HydrophobicContact CB-CB 4.16Å; K393-E442 HydrophobicContact CG-CB 4.11Å; G394-E442 PolarHBondContact N-O 3.45Å; Q439-E442 PolarHBondContact O-N 2.96Å; Q439-E442 VanDerWaalsContact O-N 3.11Å; E440-E442 VanDerWaalsContact C-N 3.35Å
443T94.9Very high95.3Very high6 Ų624 Ų244%0.03712%0.118CC..  trans-51.5146.817747.30000112.2L391 V395 M438 K441 N446 N473L391-T443 HydrophobicContact CB-CG2 4.01Å; L391-T443 HydrophobicContact CD1-CG2 4.03Å; L391-T443 HydrophobicContact CD2-CG2 4.35Å; L391-T443 HydrophobicContact CG-CG2 4.35Å; V395-T443 CarbonylContact O-C 3.59Å; V395-T443 WeakPolarHBondContact O-CA 3.3Å; V395-T443 WeakPolarHBondContact O-CB 3.31Å; M438-T443 PolarHBondContact O-OG1 2.95Å; K441-T443 VanDerWaalsContact C-N 3.25Å; K441-T443 HydrophobicContact CB-CG2 4.38Å; K441-T443 PolarHBondContact O-N 3.37Å; T443-N446 WeakPolarHBondContact CB-OD1 3.39Å; T443-N446 PolarHBondContact OG1-ND2 3.42Å; T443-N446 PolarHBondContact OG1-OD1 3.48Å; T443-N473 PolarHBondContact O-ND2 2.93Å
444G92.6Very high95.3Very high9 Ų923.5 Ų23.59%0.09312%0.115CC..SBendtrans-76.9-31.6177.800000112.9V395 N473 R546V395-G444 PolarHBondContact O-N 3.08Å; G444-N473 WeakPolarHBondContact O-CB 3.43Å; G444-N473 PolarHBondContact O-ND2 3.34Å; G444-R546 WeakPolarHBondContact O-CD 3.42Å; G444-R546 PolarHBondContact O-NE 3.41Å
445L97.8Very high95Very high0 Ų027.4 Ų27.40%013%0.132CC..EExtended strand (participates in β ladder)trans-148.9137.1177.2-178.266000109.6V395 Y396 G397 V447 V475 L542 R546 L548V395-L445 PolarHBondContact O-N 3.11Å; Y396-L445 HydrophobicContact CD1-CB 3.49Å; Y396-L445 VanDerWaalsContact CD1-CB 3.49Å; Y396-L445 HydrophobicContact CD2-CB 4.09Å; Y396-L445 HydrophobicContact CD2-CD2 3.73Å; Y396-L445 HydrophobicContact CE1-CB 3.83Å; Y396-L445 HydrophobicContact CE2-CB 4.37Å; Y396-L445 HydrophobicContact CE2-CD2 3.96Å; Y396-L445 HydrophobicContact CG-CB 3.64Å; Y396-L445 HydrophobicContact CG-CD2 4.1Å; Y396-L445 HydrophobicContact CG-CG 4.48Å; G397-L445 PolarHBondContact N-O 3.22Å; L445-V447 HydrophobicContact CD1-CG2 4.3Å; L445-V447 HydrophobicContact CD2-CG2 3.78Å; L445-V447 HydrophobicContact CG-CG2 3.75Å; L445-V475 HydrophobicContact CD1-CG2 4.41Å; L445-L542 HydrophobicContact CD1-CD1 3.78Å; L445-L542 HydrophobicContact CD1-CD2 3.95Å; L445-L542 HydrophobicContact CD1-CG 4.43Å; L445-R546 HydrophobicContact CD1-CB 4.24Å; L445-R546 HydrophobicContact CD2-CB 4.23Å; L445-L548 HydrophobicContact CD2-CD2 4.32Å
446N98.3Very high94.8Very high0 Ų033 Ų330%015%0.153CC..EExtended strand (participates in β ladder)trans-120.7111.4175.8-60.3-73.7000109.4L435 M438 T443 F448 N473 I474 V475L435-N446 HydrophobicContact CD1-CB 4.06Å; M438-N446 WeakPolarHBondContact CB-OD1 3.46Å; M438-N446 HydrophobicContact CE-CB 4.42Å; M438-N446 WeakPolarHBondContact CE-OD1 3.3Å; T443-N446 WeakPolarHBondContact CB-OD1 3.39Å; T443-N446 PolarHBondContact OG1-ND2 3.42Å; T443-N446 PolarHBondContact OG1-OD1 3.48Å; N446-F448 HydrophobicContact CB-CE2 4.32Å; N446-N473 PolarHBondContact N-O 2.92Å; N446-N473 PolarHBondContact ND2-OD1 3.28Å; N446-I474 CarbonylContact O-C 3.48Å; N446-I474 WeakPolarHBondContact O-CA 3.35Å; N446-V475 PolarHBondContact O-N 2.85Å
447V98.7Very high94.7Very high2 Ų230.3 Ų30.31%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-115.7126.6179.7-171.60000110.1G397 L398 L399 L445 L449 V475 I513 L548G397-V447 PolarHBondContact O-N 2.87Å; L398-V447 CarbonylContact C-O 3.57Å; L398-V447 WeakPolarHBondContact CA-O 3.41Å; L398-V447 HydrophobicContact CB-CB 4.34Å; L398-V447 HydrophobicContact CD1-CB 4.15Å; L398-V447 HydrophobicContact CD1-CG1 4.12Å; L398-V447 HydrophobicContact CG-CB 4.07Å; L398-V447 HydrophobicContact CG-CG1 4.29Å; L399-V447 PolarHBondContact N-O 2.97Å; L445-V447 HydrophobicContact CD1-CG2 4.3Å; L445-V447 HydrophobicContact CD2-CG2 3.78Å; L445-V447 HydrophobicContact CG-CG2 3.75Å; V447-L449 HydrophobicContact CG1-CD2 3.91Å; V447-L449 HydrophobicContact CG1-CG 3.99Å; V447-V475 CarbonylContact C-O 3.59Å; V447-V475 WeakPolarHBondContact CA-O 3.42Å; V447-I513 HydrophobicContact CG1-CG1 4.46Å; V447-L548 HydrophobicContact CG2-CD2 4.29Å
448F98.7Very high94.5Very high0 Ų034.5 Ų34.50%016%0.163CC..EExtended strand (participates in β ladder)trans-119.3116.9174.3-70.8-94.9000109.2L399 V431 I434 L435 M438 N446 V475 F476 G477L399-F448 HydrophobicContact CB-CD1 3.9Å; L399-F448 HydrophobicContact CB-CE1 4.02Å; L399-F448 HydrophobicContact CD2-CD1 3.79Å; L399-F448 HydrophobicContact CD2-CE1 3.66Å; L399-F448 HydrophobicContact CG-CD1 4.39Å; L399-F448 HydrophobicContact CG-CE1 4.49Å; L399-F448 WeakPolarHBondContact O-CA 3.34Å; V431-F448 HydrophobicContact CG1-CD1 3.31Å; V431-F448 HydrophobicContact CG1-CE1 3.54Å; V431-F448 HydrophobicContact CG1-CG 4.09Å; V431-F448 HydrophobicContact CG1-CZ 4.48Å; I434-F448 HydrophobicContact CB-CE1 4.43Å; I434-F448 HydrophobicContact CG2-CE1 4.29Å; I434-F448 HydrophobicContact CG2-CZ 4.43Å; L435-F448 HydrophobicContact CB-CE2 3.86Å; L435-F448 HydrophobicContact CB-CZ 3.72Å; L435-F448 HydrophobicContact CD1-CE2 3.75Å; L435-F448 HydrophobicContact CD1-CZ 4.38Å; L435-F448 HydrophobicContact CG-CE2 4.26Å; M438-F448 HydrophobicContact SD-CE1 4.23Å; M438-F448 HydrophobicContact SD-CE2 3.86Å; M438-F448 HydrophobicContact SD-CZ 3.36Å; M438-F448 WeakPolarHBondContact SD-CZ 3.41Å; N446-F448 HydrophobicContact CB-CE2 4.32Å; F448-V475 PolarHBondContact N-O 3.16Å; F448-F476 HydrophobicContact CB-CD1 3.5Å; F448-F476 VanDerWaalsContact CB-CD1 3.5Å; F448-F476 HydrophobicContact CB-CE1 3.64Å; F448-F476 HydrophobicContact CB-CG 4.17Å; F448-F476 HydrophobicContact CB-CZ 4.41Å; F448-F476 HydrophobicContact CD1-CE1 4.37Å; F448-F476 HydrophobicContact CD2-CE1 4.07Å; F448-F476 HydrophobicContact CD2-CE2 4.46Å; F448-F476 HydrophobicContact CD2-CZ 4.02Å; F448-F476 HydrophobicContact CG-CD1 4.15Å; F448-F476 AromaticContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CZ 4.2Å; F448-F476 CarbonylContact O-C 3.57Å; F448-F476 WeakPolarHBondContact O-CA 3.36Å; F448-G477 PolarHBondContact O-N 3.01Å
449L98.5Very high94.3Very high4 Ų439 Ų392%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-112.6103.9178-60.5-176.5000108L398 L399 Y400 Y401 V447 G477 F499 L503 L517L398-L449 HydrophobicContact CD1-CD1 4.32Å; L399-L449 PolarHBondContact O-N 2.96Å; Y400-L449 WeakPolarHBondContact CA-O 3.34Å; Y400-L449 HydrophobicContact CD2-CB 3.71Å; Y400-L449 WeakPolarHBondContact CD2-O 3.36Å; Y401-L449 PolarHBondContact N-O 3Å; V447-L449 HydrophobicContact CG1-CD2 3.91Å; V447-L449 HydrophobicContact CG1-CG 3.99Å; L449-G477 WeakPolarHBondContact CA-O 3.05Å; L449-F499 HydrophobicContact CB-CE1 4.26Å; L449-F499 HydrophobicContact CD2-CZ 4.33Å; L449-L503 HydrophobicContact CD1-CD2 3.9Å; L449-L517 HydrophobicContact CD2-CD1 4.39Å; L449-L517 HydrophobicContact CD2-CD2 4.05Å
450L98.1Very high94.1Very high0 Ų039 Ų390%018%0.184CC..EExtended strand (participates in β ladder)trans-110.3101.7-169.9-56.7-179.3000110.2V431 M452 F476 G477 Y478 A479V431-L450 HydrophobicContact CG1-CD1 4.18Å; V431-L450 HydrophobicContact CG2-CD1 4.07Å; V431-L450 HydrophobicContact CG2-CD2 4.18Å; L450-M452 HydrophobicContact CB-CE 4.19Å; L450-M452 HydrophobicContact CB-CG 4.31Å; L450-M452 HydrophobicContact CB-SD 4.46Å; L450-M452 HydrophobicContact CD1-CE 3.84Å; L450-M452 HydrophobicContact CG-CE 4.45Å; L450-M452 PolarHBondContact O-N 3.01Å; L450-F476 HydrophobicContact CD1-CD1 4.32Å; L450-G477 PolarHBondContact N-O 3.36Å; L450-Y478 HydrophobicContact CB-CD1 4.17Å; L450-Y478 HydrophobicContact CD1-CD1 3.92Å; L450-Y478 HydrophobicContact CD1-CE1 3.6Å; L450-A479 WeakPolarHBondContact O-CB 3.39Å; L450-A479 PolarHBondContact O-N 3.35Å
451D96.9Very high93.5Very high15 Ų1539.9 Ų39.98%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-9668.9178.2-154.9-6.4000110.9Y400 Y401 A402 G403 A479 F499Y400-D451 HydrophobicContact CE2-CB 3.99Å; Y400-D451 PolarHBondContact OH-OD2 3.45Å; Y401-D451 WeakPolarHBondContact O-CA 3.3Å; Y401-D451 PolarHBondContact O-N 3.22Å; A402-D451 WeakPolarHBondContact CA-O 3.3Å; A402-D451 HydrophobicContact CB-CB 4.21Å; G403-D451 PolarHBondContact N-O 2.76Å; D451-A479 HydrophobicContact CB-CB 4.25Å; D451-A479 WeakPolarHBondContact OD1-CB 3.41Å; D451-F499 HydrophobicContact CB-CD1 3.98Å
452M94.9Very high92.9Very high2 Ų237.7 Ų37.71%0.0118%0.183CC..SBendtrans-149.2160.5-174.166.9-172.7-167.200111.3Y401 G403 M414 L450Y401-M452 HydrophobicContact CD1-CB 4.16Å; Y401-M452 HydrophobicContact CD1-CG 4.34Å; Y401-M452 HydrophobicContact CD1-SD 3.55Å; Y401-M452 VanDerWaalsContact CD1-SD 3.55Å; Y401-M452 HydrophobicContact CE1-CB 3.98Å; Y401-M452 HydrophobicContact CE1-CG 4.43Å; Y401-M452 HydrophobicContact CE1-SD 3.65Å; G403-M452 WeakPolarHBondContact O-CA 3.35Å; G403-M452 WeakPolarHBondContact O-CB 3.16Å; M414-M452 HydrophobicContact CG-SD 4.19Å; L450-M452 HydrophobicContact CB-CE 4.19Å; L450-M452 HydrophobicContact CB-CG 4.31Å; L450-M452 HydrophobicContact CB-SD 4.46Å; L450-M452 HydrophobicContact CD1-CE 3.84Å; L450-M452 HydrophobicContact CG-CE 4.45Å; L450-M452 PolarHBondContact O-N 3.01Å
453C91.7Very high92Very high28 Ų2836.1 Ų36.119%0.18918%0.182CC..  trans-61.5151.5169.6-66.70000111.3G405G405-C453 CarbonylContact C-O 3.45Å; G405-C453 CarbonylContact O-C 3.59Å
454R93.1Very high91.1Very high0 Ų037 Ų370%019%0.188CC..  trans-128.130.2178.8-66.4176.567.7-150.8-5.5112.1E407 T480 D483 A484 E537E407-R454 HydrophobicContact CB-CB 4.15Å; E407-R454 VanDerWaalsContact CD-NH2 3.27Å; E407-R454 IonicContact OE1-CZ 3.53Å; E407-R454 IonicContact OE1-NE 3.36Å; E407-R454 IonicContact OE1-NH2 3.73Å; E407-R454 PolarHBondContact OE1-NH2 2.89Å; E407-R454 IonicContact OE2-CZ 3.92Å; E407-R454 VanDerWaalsContact OE2-CZ 3.26Å; E407-R454 IonicContact OE2-NE 3.61Å; E407-R454 PolarHBondContact OE2-NE 2.69Å; E407-R454 IonicContact OE2-NH2 3.77Å; E407-R454 PolarHBondContact OE2-NH2 3.49Å; R454-T480 HydrophobicContact CB-CG2 4.28Å; R454-T480 WeakPolarHBondContact CD-O 3.19Å; R454-T480 HydrophobicContact CG-CG2 4.18Å; R454-T480 PolarHBondContact NH1-O 3.2Å; R454-D483 WeakPolarHBondContact O-CA 3.27Å; R454-D483 PolarHBondContact O-N 2.92Å; R454-A484 PolarHBondContact N-O 2.76Å; R454-E537 IonicContact CZ-OE2 3.96Å; R454-E537 IonicContact NH1-OE2 3.39Å; R454-E537 PolarHBondContact NH1-OE2 3Å; R454-E537 IonicContact NH2-OE2 3.27Å
455K90.3Very high90.3Very high90 Ų9043.3 Ų43.339%0.39122%0.219SC..  trans-69.6150171.5-74.4-178166.2174.50110.2Y406 E407 E485Y406-K455 WeakPolarHBondContact CA-O 3.43Å; Y406-K455 VanDerWaalsContact CB-O 3.28Å; Y406-K455 WeakPolarHBondContact CB-O 3.48Å; E407-K455 PolarHBondContact N-O 3.29Å; K455-E485 HydrophobicContact CD-CG 3.98Å; K455-E485 WeakPolarHBondContact CE-OE1 3.34Å; K455-E485 IonicContact NZ-OE1 2.73Å; K455-E485 PolarHBondContact NZ-OE1 3.37Å; K455-E485 IonicContact NZ-OE2 3.32Å
456R91.3Very high89.5Confident117 Ų11745.1 Ų45.144%0.44223%0.228SC..  trans-66.3130.6170.2-166.6179.2175.3-174.3-8.6111E407 N408 Y409 E461E407-R456 WeakPolarHBondContact O-CA 3.49Å; N408-R456 WeakPolarHBondContact OD1-CA 3.17Å; N408-R456 VanDerWaalsContact OD1-CG 3.22Å; N408-R456 WeakPolarHBondContact OD1-CG 3.4Å; Y409-R456 PolarHBondContact OH-NH2 2.82Å; R456-E461 IonicContact NH2-OE2 3.67Å
457N93.1Very high88.7Confident14 Ų1450.3 Ų50.38%0.07526%0.26CS..  trans-83.6112.1167.4-179.83.2000109.2Y406 N408 Y423 H459 D460Y406-N457 HydrophobicContact CD1-CB 4.32Å; Y406-N457 HydrophobicContact CD2-CB 3.36Å; Y406-N457 HydrophobicContact CE2-CB 3.69Å; Y406-N457 HydrophobicContact CG-CB 3.7Å; N408-N457 PolarHBondContact ND2-O 3.25Å; N408-N457 PolarHBondContact OD1-N 2.69Å; Y423-N457 PolarHBondContact O-ND2 2.86Å; N457-H459 PolarHBondContact O-N 2.96Å; N457-H459 WeakPolarHBondContact OD1-CB 3.24Å; N457-H459 PolarHBondContact OD1-N 3.24Å; N457-D460 HydrophobicContact CB-CB 4.3Å; N457-D460 PolarHBondContact O-N 2.89Å
458I90.4Very high88Confident123 Ų12353.3 Ų53.363%0.63128%0.275SS*.THydrogen-bonded Turntrans-70.8-16.7-179.161.8171.3000113.7D460I458-D460 VanDerWaalsContact C-N 3.34Å
459H90.1Very high87.2Confident95 Ų9561.2 Ų61.244%0.4431%0.305SS..THydrogen-bonded Turntrans-86-11.9179.3-59.3-66.5000111.9P422 H424 N457P422-H459 HydrophobicContact CB-CB 4.11Å; H424-H459 PolarHBondContact CE1-O 2.68Å; H424-H459 PolarHBondContact ND1-O 2.79Å; N457-H459 PolarHBondContact O-N 2.96Å; N457-H459 WeakPolarHBondContact OD1-CB 3.24Å; N457-H459 PolarHBondContact OD1-N 3.24Å
460D88.1Confident86.5Confident4 Ų467.8 Ų67.82%0.02135%0.345CS..  trans-110101.2-176.8-178.416.2000111.8Y406 N408 S425 N457 I458 S462Y406-D460 HydrophobicContact CE2-CB 4.31Å; Y406-D460 WeakPolarHBondContact CE2-OD2 3.11Å; Y406-D460 PolarHBondContact OH-OD2 3.26Å; N408-D460 PolarHBondContact ND2-O 2.95Å; S425-D460 VanDerWaalsContact CB-OD2 3.26Å; S425-D460 WeakPolarHBondContact CB-OD2 3.49Å; S425-D460 PolarHBondContact N-OD2 3.16Å; S425-D460 PolarHBondContact OG-OD1 3.32Å; N457-D460 HydrophobicContact CB-CB 4.3Å; N457-D460 PolarHBondContact O-N 2.89Å; I458-D460 VanDerWaalsContact C-N 3.34Å; D460-S462 VanDerWaalsContact C-N 3.29Å; D460-S462 WeakPolarHBondContact OD1-CB 3.45Å; D460-S462 PolarHBondContact OD1-N 3.24Å; D460-S462 PolarHBondContact OD1-OG 2.96Å; D460-S462 PolarHBondContact OD2-OG 2.92Å
461E80.6Confident85.6Confident130 Ų13069.9 Ų69.961%0.60736%0.358SS*.  trans-89.48.2176.4-65.2-64.1157.600112.9R456R456-E461 IonicContact NH2-OE2 3.67Å
462S79.9Confident85.2Confident36 Ų3670.6 Ų70.625%0.25237%0.366SS..  trans-73.1135.3-178.170.40000112.3S425 D460 P464S425-S462 WeakPolarHBondContact CB-OG 3.49Å; S425-S462 PolarHBondContact OG-OG 2.83Å; D460-S462 VanDerWaalsContact C-N 3.29Å; D460-S462 WeakPolarHBondContact OD1-CB 3.45Å; D460-S462 PolarHBondContact OD1-N 3.24Å; D460-S462 PolarHBondContact OD1-OG 2.96Å; D460-S462 PolarHBondContact OD2-OG 2.92Å; S462-P464 WeakPolarHBondContact O-CD 3.41Å
463T74.2Confident85.1Confident84 Ų8471.1 Ų71.152%0.51537%0.369SS..  trans-119.277.3174.556.30000109.5Y409 N465Y409-T463 HydrophobicContact CD1-CG2 4.34Å; Y409-T463 HydrophobicContact CD2-CG2 3.54Å; Y409-T463 HydrophobicContact CE1-CG2 4.29Å; Y409-T463 HydrophobicContact CE2-CG2 3.49Å; Y409-T463 VanDerWaalsContact CE2-CG2 3.49Å; Y409-T463 HydrophobicContact CG-CG2 3.97Å; T463-N465 PolarHBondContact O-N 3Å
464P74.8Confident85.4Confident25 Ų2570.6 Ų70.616%0.16236%0.364CS..  trans-64124.6178.925.1-30.7000109.8N411 F413 S462 I466N411-P464 HydrophobicContact CB-CG 4.45Å; N411-P464 PolarHBondContact ND2-O 2.57Å; F413-P464 HydrophobicContact CZ-CG 4.1Å; S462-P464 WeakPolarHBondContact O-CD 3.41Å; P464-I466 HydrophobicContact CB-CD1 4.31Å; P464-I466 HydrophobicContact CB-CG1 4.31Å; P464-I466 PolarHBondContact O-N 3.37Å
465N76Confident85.6Confident141 Ų14170.6 Ų70.675%0.75436%0.364SS*.  trans-90.291.6177.5-172.69.1000109.6T463T463-N465 PolarHBondContact O-N 3Å
466I80.9Confident86Confident37 Ų3767.1 Ų67.119%0.1935%0.349CS..  trans-102.2108.9-178.7-57.9167.3000108.8C430 Q432 S433 K436 P464 L468C430-I466 WeakPolarHBondContact SG-CD1 3.41Å; Q432-I466 HydrophobicContact CB-CD1 3.76Å; Q432-I466 HydrophobicContact CB-CG2 4.35Å; S433-I466 WeakPolarHBondContact OG-CD1 3.39Å; K436-I466 HydrophobicContact CB-CG2 4.45Å; K436-I466 HydrophobicContact CD-CG2 4.39Å; P464-I466 HydrophobicContact CB-CD1 4.31Å; P464-I466 HydrophobicContact CB-CG1 4.31Å; P464-I466 PolarHBondContact O-N 3.37Å; I466-L468 HydrophobicContact CG2-CD2 4.03Å; I466-L468 HydrophobicContact CG2-CG 4.4Å
467V81.5Confident86.3Confident110 Ų11061.6 Ų61.667%0.66733%0.328SS*.  trans-87.3115.1176-1760000109.3
468L84.6Confident86.5Confident64 Ų6461.1 Ų61.134%0.33533%0.325SS..  trans-96.1147177.7-62.6174.7000111.3L435 K436 I466L435-L468 HydrophobicContact CD2-CD1 3.66Å; L435-L468 HydrophobicContact CD2-CD2 4.23Å; L435-L468 HydrophobicContact CG-CD1 4.44Å; L435-L468 HydrophobicContact CG-CD2 4.11Å; K436-L468 HydrophobicContact CB-CD2 3.93Å; I466-L468 HydrophobicContact CG2-CD2 4.03Å; I466-L468 HydrophobicContact CG2-CG 4.4Å
469R82.1Confident86.6Confident167 Ų16755.2 Ų55.263%0.6330%0.295SS*.  trans-79.8151.4173.5-66.9175.867.6-164.90.4110Q439 T471Q439-R469 PolarHBondContact NE2-O 3.23Å; R469-T471 HydrophobicContact CB-CG2 4.19Å; R469-T471 PolarHBondContact O-N 2.74Å
470V84.4Confident86.6Confident142 Ų14250.7 Ų50.786%0.86127%0.274SS*.  trans-84.391.4171.9-174.80000108.6
471T79.1Confident86.4Confident43 Ų4353 Ų5326%0.26429%0.29SS..  trans-96.9-7.3179.452.90000113.5Q439 R469 N473Q439-T471 HydrophobicContact CB-CG2 4.39Å; Q439-T471 HydrophobicContact CG-CG2 4.09Å; Q439-T471 PolarHBondContact NE2-OG1 2.76Å; Q439-T471 VanDerWaalsContact NE2-OG1 3.08Å; R469-T471 HydrophobicContact CB-CG2 4.19Å; R469-T471 PolarHBondContact O-N 2.74Å; T471-N473 WeakPolarHBondContact CB-OD1 3.34Å; T471-N473 PolarHBondContact O-N 3.38Å; T471-N473 VanDerWaalsContact O-N 3.15Å; T471-N473 PolarHBondContact OG1-OD1 2.84Å
472A87.5Confident86.4Confident30 Ų3050.9 Ų50.925%0.24828%0.28CS..SBendtrans52.931.4178.400000115.1S541 L542 S543A472-S541 CarbonylContact C-O 3.4Å; A472-S541 WeakPolarHBondContact CA-O 3.37Å; A472-L542 VanDerWaalsContact O-CA 3.29Å; A472-L542 WeakPolarHBondContact O-CA 3.29Å; A472-S543 PolarHBondContact O-N 2.88Å; A472-S543 PolarHBondContact O-OG 3.36Å
473N94Very high86.3Confident13 Ų1354 Ų547%0.0729%0.294CS..  trans-144.430.1-174.669.4-9.7000113.6T443 G444 N446 T471 L542T443-N473 PolarHBondContact O-ND2 2.93Å; G444-N473 WeakPolarHBondContact O-CB 3.43Å; G444-N473 PolarHBondContact O-ND2 3.34Å; N446-N473 PolarHBondContact N-O 2.92Å; N446-N473 PolarHBondContact ND2-OD1 3.28Å; T471-N473 WeakPolarHBondContact CB-OD1 3.34Å; T471-N473 PolarHBondContact O-N 3.38Å; T471-N473 VanDerWaalsContact O-N 3.15Å; T471-N473 PolarHBondContact OG1-OD1 2.84Å; N473-L542 HydrophobicContact CB-CD1 4.35Å
474I96.9Very high86.7Confident17 Ų1751 Ų519%0.08728%0.278CS..EExtended strand (participates in β ladder)trans-113.6134.6-174.1-49.2166.9000108.9L435 Q439 N446 F476 S540 S541L435-I474 HydrophobicContact CD1-CD1 4.13Å; L435-I474 HydrophobicContact CD1-CG1 4.12Å; L435-I474 HydrophobicContact CD1-CG2 3.94Å; L435-I474 HydrophobicContact CD2-CD1 4.21Å; L435-I474 HydrophobicContact CD2-CG2 3.9Å; Q439-I474 VanDerWaalsContact NE2-CD1 3.35Å; N446-I474 CarbonylContact O-C 3.48Å; N446-I474 WeakPolarHBondContact O-CA 3.35Å; I474-F476 HydrophobicContact CG2-CD2 3.93Å; I474-F476 HydrophobicContact CG2-CE2 3.6Å; I474-S540 WeakPolarHBondContact O-CA 3.45Å; I474-S540 PolarHBondContact O-OG 3.04Å; I474-S541 PolarHBondContact O-N 3.08Å
475V98.2Very high87Confident0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-136.8123.8176.8-174.20000109.4L445 N446 V447 F448 I513 T514 L517 L542L445-V475 HydrophobicContact CD1-CG2 4.41Å; N446-V475 PolarHBondContact O-N 2.85Å; V447-V475 CarbonylContact C-O 3.59Å; V447-V475 WeakPolarHBondContact CA-O 3.42Å; F448-V475 PolarHBondContact N-O 3.16Å; V475-I513 HydrophobicContact CB-CG2 4.5Å; V475-I513 HydrophobicContact CG1-CG1 4.48Å; V475-I513 HydrophobicContact CG1-CG2 4.45Å; V475-I513 HydrophobicContact CG2-CG2 3.87Å; V475-T514 HydrophobicContact CG1-CG2 4.29Å; V475-T514 HydrophobicContact CG2-CG2 4.15Å; V475-L517 HydrophobicContact CG1-CD1 3.66Å; V475-L542 HydrophobicContact CG2-CB 3.7Å; V475-L542 HydrophobicContact CG2-CD2 3.83Å; V475-L542 HydrophobicContact CG2-CG 4.36Å
476F98.1Very high87Confident18 Ų1847.7 Ų47.78%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-109.2128.3167.9-72.9-97.6000109.6V431 L435 F448 L450 I474 Y478 I538 R539V431-F476 HydrophobicContact CG1-CE1 3.86Å; L435-F476 HydrophobicContact CD2-CE2 3.75Å; L435-F476 HydrophobicContact CD2-CZ 3.73Å; F448-F476 HydrophobicContact CB-CD1 3.5Å; F448-F476 VanDerWaalsContact CB-CD1 3.5Å; F448-F476 HydrophobicContact CB-CE1 3.64Å; F448-F476 HydrophobicContact CB-CG 4.17Å; F448-F476 HydrophobicContact CB-CZ 4.41Å; F448-F476 HydrophobicContact CD1-CE1 4.37Å; F448-F476 HydrophobicContact CD2-CE1 4.07Å; F448-F476 HydrophobicContact CD2-CE2 4.46Å; F448-F476 HydrophobicContact CD2-CZ 4.02Å; F448-F476 HydrophobicContact CG-CD1 4.15Å; F448-F476 AromaticContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CE1 3.77Å; F448-F476 HydrophobicContact CG-CZ 4.2Å; F448-F476 CarbonylContact O-C 3.57Å; F448-F476 WeakPolarHBondContact O-CA 3.36Å; L450-F476 HydrophobicContact CD1-CD1 4.32Å; I474-F476 HydrophobicContact CG2-CD2 3.93Å; I474-F476 HydrophobicContact CG2-CE2 3.6Å; F476-Y478 HydrophobicContact CB-CD2 3.98Å; F476-Y478 HydrophobicContact CB-CE2 3.34Å; F476-Y478 HydrophobicContact CD1-CE1 4.15Å; F476-Y478 HydrophobicContact CD1-CE2 4.04Å; F476-Y478 AromaticContact CD1-CZ 3.54Å; F476-Y478 WeakPolarHBondContact CD1-OH 3.46Å; F476-Y478 AromaticContact CG-CE2 3.9Å; F476-Y478 HydrophobicContact CG-CE2 3.9Å; F476-Y478 AromaticContact CG-CZ 3.86Å; F476-Y478 WeakPolarHBondContact CG-OH 3.43Å; F476-I538 WeakPolarHBondContact O-CA 3.43Å; F476-R539 HydrophobicContact CB-CB 4.24Å; F476-R539 PolarHBondContact N-O 3.49Å; F476-R539 PolarHBondContact O-N 3.13Å
477G97.6Very high86.7Confident0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-111.8105.4163.800000108.9F448 L449 L450F448-G477 PolarHBondContact O-N 3.01Å; L449-G477 WeakPolarHBondContact CA-O 3.05Å; L450-G477 PolarHBondContact N-O 3.36Å
478Y96.9Very high86.5Confident4 Ų447.7 Ų47.72%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-93.4127175.7-59.7-88.4000109.1L450 F476 T480 L536 E537 R539L450-Y478 HydrophobicContact CB-CD1 4.17Å; L450-Y478 HydrophobicContact CD1-CD1 3.92Å; L450-Y478 HydrophobicContact CD1-CE1 3.6Å; F476-Y478 HydrophobicContact CB-CD2 3.98Å; F476-Y478 HydrophobicContact CB-CE2 3.34Å; F476-Y478 HydrophobicContact CD1-CE1 4.15Å; F476-Y478 HydrophobicContact CD1-CE2 4.04Å; F476-Y478 AromaticContact CD1-CZ 3.54Å; F476-Y478 WeakPolarHBondContact CD1-OH 3.46Å; F476-Y478 AromaticContact CG-CE2 3.9Å; F476-Y478 HydrophobicContact CG-CE2 3.9Å; F476-Y478 AromaticContact CG-CZ 3.86Å; F476-Y478 WeakPolarHBondContact CG-OH 3.43Å; Y478-T480 WeakPolarHBondContact CB-O 3.39Å; Y478-T480 PolarHBondContact O-N 2.96Å; Y478-T480 VanDerWaalsContact O-N 3.08Å; Y478-L536 WeakPolarHBondContact O-CA 3.5Å; Y478-L536 WeakPolarHBondContact O-CD1 3.42Å; Y478-E537 HydrophobicContact CD2-CB 4.45Å; Y478-E537 PolarHBondContact N-O 3.05Å; Y478-E537 PolarHBondContact O-N 3.13Å; Y478-R539 HydrophobicContact CE2-CB 4.33Å; Y478-R539 HydrophobicContact CE2-CG 4.09Å
479A92.5Very high85.8Confident0 Ų047.1 Ų47.10%025%0.247CC..SBendtrans-59.7-21.3178.900000113.8L450 D451 A486 F499 Q534L450-A479 WeakPolarHBondContact O-CB 3.39Å; L450-A479 PolarHBondContact O-N 3.35Å; D451-A479 HydrophobicContact CB-CB 4.25Å; D451-A479 WeakPolarHBondContact OD1-CB 3.41Å; A479-A486 HydrophobicContact CB-CB 4.27Å; A479-F499 HydrophobicContact CB-CB 3.7Å; A479-F499 HydrophobicContact CB-CD1 3.93Å; A479-F499 HydrophobicContact CB-CG 3.84Å; A479-Q534 WeakPolarHBondContact O-CG 2.92Å; A479-Q534 PolarHBondContact O-NE2 3.45Å
480T90.1Very high84.7Confident0 Ų045.4 Ų45.40%026%0.261CS..SBendtrans-141.8160178.6-1590000111.5R454 Y478 A484 E485 A486 A535R454-T480 HydrophobicContact CB-CG2 4.28Å; R454-T480 WeakPolarHBondContact CD-O 3.19Å; R454-T480 HydrophobicContact CG-CG2 4.18Å; R454-T480 PolarHBondContact NH1-O 3.2Å; Y478-T480 WeakPolarHBondContact CB-O 3.39Å; Y478-T480 PolarHBondContact O-N 2.96Å; Y478-T480 VanDerWaalsContact O-N 3.08Å; T480-A484 HydrophobicContact CG2-CB 4.35Å; T480-A484 WeakPolarHBondContact CG2-O 3.37Å; T480-A484 VanDerWaalsContact OG1-CB 3.26Å; T480-A484 WeakPolarHBondContact OG1-CB 3.28Å; T480-E485 VanDerWaalsContact CB-O 3.3Å; T480-E485 WeakPolarHBondContact CB-O 3.2Å; T480-E485 PolarHBondContact OG1-O 2.93Å; T480-A486 HydrophobicContact CG2-CB 4.3Å; T480-A535 CarbonylContact C-O 3.47Å; T480-A535 VanDerWaalsContact C-O 3.32Å; T480-A535 WeakPolarHBondContact CA-O 3.48Å
481C84.8Confident83.3Confident51 Ų5141.4 Ų41.435%0.34524%0.239SC..  trans-68.8164.1174.5-65.60000111.8A484 A535C481-A484 HydrophobicContact CB-CB 4.45Å; C481-A484 WeakPolarHBondContact O-CB 3.37Å; C481-A484 PolarHBondContact O-N 3.05Å; C481-A535 PolarHBondContact N-O 3.31Å
482Q80.2Confident82.1Confident86 Ų8647.1 Ų47.140%0.40227%0.274SS..THydrogen-bonded Turntrans-55.4140.5170.6-170.4174.6-8.300111.4A484 E537Q482-A484 PolarHBondContact O-N 2.95Å; Q482-E537 PolarHBondContact N-OE2 3.35Å
483D78.9Confident80.8Confident101 Ų10147.7 Ų47.754%0.5428%0.283SS..THydrogen-bonded Turntrans63.217.7-176.8-62.9-52000115.5R454R454-D483 WeakPolarHBondContact O-CA 3.27Å; R454-D483 PolarHBondContact O-N 2.92Å
484A81.3Confident79.6Confident23 Ų2352.4 Ų52.419%0.1930%0.303CS..  trans-116.2168.5177.100000113.3R454 T480 C481 Q482R454-A484 PolarHBondContact N-O 2.76Å; T480-A484 HydrophobicContact CG2-CB 4.35Å; T480-A484 WeakPolarHBondContact CG2-O 3.37Å; T480-A484 VanDerWaalsContact OG1-CB 3.26Å; T480-A484 WeakPolarHBondContact OG1-CB 3.28Å; C481-A484 HydrophobicContact CB-CB 4.45Å; C481-A484 WeakPolarHBondContact O-CB 3.37Å; C481-A484 PolarHBondContact O-N 3.05Å; Q482-A484 PolarHBondContact O-N 2.95Å
485E81.8Confident78.9Confident74 Ų7454.2 Ų54.235%0.34632%0.315SS..  trans-98.2150.1177-60.7-177143.300110.8K455 T480 F487K455-E485 HydrophobicContact CD-CG 3.98Å; K455-E485 WeakPolarHBondContact CE-OE1 3.34Å; K455-E485 IonicContact NZ-OE1 2.73Å; K455-E485 PolarHBondContact NZ-OE1 3.37Å; K455-E485 IonicContact NZ-OE2 3.32Å; T480-E485 VanDerWaalsContact CB-O 3.3Å; T480-E485 WeakPolarHBondContact CB-O 3.2Å; T480-E485 PolarHBondContact OG1-O 2.93Å; E485-F487 HydrophobicContact CB-CD2 4.5Å; E485-F487 HydrophobicContact CB-CE1 4.26Å; E485-F487 HydrophobicContact CB-CE2 3.82Å; E485-F487 HydrophobicContact CB-CZ 3.69Å; E485-F487 HydrophobicContact CG-CZ 4.48Å; E485-F487 WeakPolarHBondContact OE2-CZ 3.23Å
486A75.8Confident78.4Confident21 Ų2155 Ų5517%0.17432%0.319CS..  trans-100.7134.8164.600000107.8A479 T480A479-A486 HydrophobicContact CB-CB 4.27Å; T480-A486 HydrophobicContact CG2-CB 4.3Å
487F75.1Confident77.9Confident73 Ų7354.2 Ų54.232%0.3232%0.316SS..  trans-111.8142.2-172.9-64.7-85.6000112.3E485 V498 K533 Q534E485-F487 HydrophobicContact CB-CD2 4.5Å; E485-F487 HydrophobicContact CB-CE1 4.26Å; E485-F487 HydrophobicContact CB-CE2 3.82Å; E485-F487 HydrophobicContact CB-CZ 3.69Å; E485-F487 HydrophobicContact CG-CZ 4.48Å; E485-F487 WeakPolarHBondContact OE2-CZ 3.23Å; F487-V498 WeakPolarHBondContact O-CG2 3.47Å; F487-K533 HydrophobicContact CD2-CB 4.4Å; F487-K533 HydrophobicContact CE2-CB 3.79Å; F487-K533 HydrophobicContact CZ-CB 4.42Å; F487-Q534 HydrophobicContact CD2-CB 4.09Å
488E76.3Confident77.6Confident74 Ų7454.3 Ų54.335%0.34632%0.317SS..  trans-93.9143.6158.956.9179.3-161.100110.1K349 A350 S490K349-E488 PolarHBondContact N-OE2 2.88Å; A350-E488 HydrophobicContact CB-CB 3.78Å; A350-E488 PolarHBondContact N-OE2 2.93Å; E488-S490 PolarHBondContact O-N 2.98Å
489L69.9Low77.4Confident52 Ų5254.1 Ų54.127%0.27232%0.316SS..  trans-72125.4175.8-72.9164000108.5S491 V498 K501 F527L489-S491 PolarHBondContact O-N 3.38Å; L489-V498 HydrophobicContact CG-CG2 4.31Å; L489-K501 HydrophobicContact CD1-CD 4.32Å; L489-F527 HydrophobicContact CD1-CZ 4.41Å; L489-F527 HydrophobicContact CD2-CE1 4.28Å; L489-F527 HydrophobicContact CD2-CZ 4.29Å
490S58.7Low77.5Confident131 Ų13154.1 Ų54.192%0.91632%0.316SS*.  trans-7553.7177.566.70000112E488E488-S490 PolarHBondContact O-N 2.98Å
491S56.9Low77.6Confident58 Ų5856.9 Ų56.941%0.40633%0.328SS..  trans-90.8147.7172.615.40000110.8L489 G493 T495L489-S491 PolarHBondContact O-N 3.38Å; S491-G493 PolarHBondContact O-N 3.47Å; S491-T495 PolarHBondContact OG-OG1 3.26Å
492T53.9Low78.1Confident164 Ų16455.2 Ų55.2100%1.00632%0.315SS*.SBendtrans-7123.4178.152.70000113.8
493G59.2Low78.8Confident42 Ų4251.1 Ų51.143%0.43330%0.296SS..SBendtrans-148172.8-175.100000113.2S491 T495S491-G493 PolarHBondContact O-N 3.47Å; G493-T495 VanDerWaalsContact C-N 3.3Å; G493-T495 PolarHBondContact O-N 2.99Å
494F68.1Low79.6Confident112 Ų11249.7 Ų49.749%0.49129%0.285SS..  trans-74.978.8178.2-61.4-76000110.6V353 Y645V353-F494 HydrophobicContact CG2-CB 3.76Å; V353-F494 HydrophobicContact CG2-CD1 4.2Å; V353-F494 HydrophobicContact CG2-CG 4.47Å; F494-Y645 HydrophobicContact CD1-CD2 4.3Å; F494-Y645 HydrophobicContact CD1-CG 4.5Å; F494-Y645 HydrophobicContact CD2-CD1 4.28Å; F494-Y645 AromaticContact CD2-CG 3.99Å; F494-Y645 HydrophobicContact CD2-CG 3.99Å; F494-Y645 AromaticContact CE1-CD2 3.42Å; F494-Y645 HydrophobicContact CE1-CD2 3.42Å; F494-Y645 VanDerWaalsContact CE1-CD2 3.42Å; F494-Y645 AromaticContact CE1-CE2 3.77Å; F494-Y645 HydrophobicContact CE1-CE2 3.77Å; F494-Y645 AromaticContact CE1-CG 3.89Å; F494-Y645 HydrophobicContact CE1-CG 3.89Å; F494-Y645 AromaticContact CE2-CD1 3.38Å; F494-Y645 HydrophobicContact CE2-CD1 3.38Å; F494-Y645 AromaticContact CE2-CD2 3.69Å; F494-Y645 HydrophobicContact CE2-CD2 3.69Å; F494-Y645 AromaticContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE2 4.05Å; F494-Y645 AromaticContact CE2-CG 3.31Å; F494-Y645 HydrophobicContact CE2-CG 3.31Å; F494-Y645 AromaticContact CZ-CD1 3.63Å; F494-Y645 HydrophobicContact CZ-CD1 3.63Å; F494-Y645 AromaticContact CZ-CD2 3.08Å; F494-Y645 HydrophobicContact CZ-CD2 3.08Å; F494-Y645 AromaticContact CZ-CE1 3.77Å; F494-Y645 HydrophobicContact CZ-CE1 3.77Å; F494-Y645 AromaticContact CZ-CE2 3.22Å; F494-Y645 HydrophobicContact CZ-CE2 3.22Å; F494-Y645 AromaticContact CZ-CG 3.28Å; F494-Y645 HydrophobicContact CZ-CG 3.28Å; F494-Y645 AromaticContact CZ-CZ 3.56Å
495T82.8Confident80.2Confident54 Ų5454.6 Ų54.633%0.33130%0.302SS..  trans-105.3143.4176.154.20000110.5S491 G493S491-T495 PolarHBondContact OG-OG1 3.26Å; G493-T495 VanDerWaalsContact C-N 3.3Å; G493-T495 PolarHBondContact O-N 2.99Å
496N87.9Confident80.9Confident17 Ų1754.6 Ų54.69%0.09130%0.299CS..  trans-57.4152172.9-62102.8000112.7D354 D357 V500 K501 K504D354-N496 WeakPolarHBondContact OD1-CA 3.33Å; D354-N496 WeakPolarHBondContact OD1-CB 3.47Å; D354-N496 PolarHBondContact OD1-ND2 3.12Å; D357-N496 PolarHBondContact OD2-ND2 2.9Å; D357-N496 PolarHBondContact OD2-OD1 3.24Å; N496-V500 HydrophobicContact CB-CB 4.42Å; N496-K501 HydrophobicContact CB-CB 4.17Å; N496-K504 WeakPolarHBondContact OD1-CE 3.15Å; N496-K504 PolarHBondContact OD1-NZ 2.78Å
497G87.8Confident81.9Confident2 Ų253.7 Ų53.72%0.02129%0.291CS..  trans-57158.916200000110.9D354 F499 V500 K501D354-G497 PolarHBondContact OD1-N 2.72Å; D354-G497 WeakPolarHBondContact OD2-CA 3.37Å; D354-G497 PolarHBondContact OD2-N 3.31Å; G497-F499 PolarHBondContact O-N 2.8Å; G497-V500 PolarHBondContact O-N 3.43Å; G497-K501 VanDerWaalsContact O-CB 3.28Å; G497-K501 WeakPolarHBondContact O-CB 3.45Å; G497-K501 PolarHBondContact O-N 2.88Å
498V90.1Very high82.8Confident1 Ų153.7 Ų53.71%0.00629%0.294CS..Hα-helixtrans-58.9-40.8-174.1177.30000110.8F487 L489 K501 F502 M524 F527 T530F487-V498 WeakPolarHBondContact O-CG2 3.47Å; L489-V498 HydrophobicContact CG-CG2 4.31Å; V498-K501 WeakPolarHBondContact O-CB 3.24Å; V498-F502 HydrophobicContact CG1-CD2 4.38Å; V498-F502 HydrophobicContact CG1-CE2 4.08Å; V498-F502 WeakPolarHBondContact O-CD2 3.4Å; V498-M524 HydrophobicContact CG1-CE 4.2Å; V498-F527 HydrophobicContact CG1-CD1 4.24Å; V498-T530 HydrophobicContact CB-CG2 4.22Å; V498-T530 HydrophobicContact CG1-CG2 3.74Å; V498-T530 HydrophobicContact CG2-CG2 3.57Å
499F93.2Very high83.7Confident0 Ų052.2 Ų52.20%029%0.289CS..Hα-helixtrans-64.9-53.4-178.6175.8-136.2000112Y400 L449 D451 A479 G497 K501 F502 L503 V520 M524 L536Y400-F499 HydrophobicContact CE2-CE1 4.42Å; L449-F499 HydrophobicContact CB-CE1 4.26Å; L449-F499 HydrophobicContact CD2-CZ 4.33Å; D451-F499 HydrophobicContact CB-CD1 3.98Å; A479-F499 HydrophobicContact CB-CB 3.7Å; A479-F499 HydrophobicContact CB-CD1 3.93Å; A479-F499 HydrophobicContact CB-CG 3.84Å; G497-F499 PolarHBondContact O-N 2.8Å; F499-K501 VanDerWaalsContact C-N 3.31Å; F499-K501 PolarHBondContact O-N 3.29Å; F499-F502 PolarHBondContact O-N 3Å; F499-L503 HydrophobicContact CD2-CB 4.47Å; F499-L503 HydrophobicContact CE1-CD2 4.01Å; F499-L503 HydrophobicContact CE2-CB 4.26Å; F499-L503 HydrophobicContact CE2-CD2 4.23Å; F499-L503 HydrophobicContact CZ-CD2 3.78Å; F499-L503 WeakPolarHBondContact O-CB 3.44Å; F499-L503 PolarHBondContact O-N 3.21Å; F499-V520 HydrophobicContact CD2-CG1 4.35Å; F499-V520 HydrophobicContact CE2-CG1 4.21Å; F499-M524 HydrophobicContact CD2-SD 4.06Å; F499-L536 HydrophobicContact CD2-CD1 3.42Å; F499-L536 VanDerWaalsContact CD2-CD1 3.42Å; F499-L536 HydrophobicContact CE2-CD1 3.18Å; F499-L536 HydrophobicContact CE2-CD2 4.4Å; F499-L536 HydrophobicContact CE2-CG 4.44Å; F499-L536 HydrophobicContact CG-CD1 4.41Å; F499-L536 HydrophobicContact CZ-CD1 4Å
500V94.5Very high84.8Confident0 Ų053.6 Ų53.60%030%0.296CS..Hα-helixtrans-66.5-31.9-178.4179.60000112.7D354 L358 Y400 N496 G497 F502 L503 K504D354-V500 HydrophobicContact CB-CB 4.08Å; D354-V500 HydrophobicContact CB-CG1 4.26Å; D354-V500 HydrophobicContact CB-CG2 3.75Å; D354-V500 WeakPolarHBondContact OD1-CB 3.34Å; L358-V500 HydrophobicContact CD1-CG1 4.41Å; L358-V500 HydrophobicContact CD1-CG2 3.85Å; L358-V500 HydrophobicContact CD2-CG1 4.22Å; L358-V500 HydrophobicContact CG-CG1 3.97Å; L358-V500 HydrophobicContact CG-CG2 4.33Å; Y400-V500 HydrophobicContact CE2-CG2 4.11Å; Y400-V500 WeakPolarHBondContact OH-CG2 3.31Å; N496-V500 HydrophobicContact CB-CB 4.42Å; G497-V500 PolarHBondContact O-N 3.43Å; V500-F502 PolarHBondContact O-N 3.02Å; V500-F502 VanDerWaalsContact O-N 3.11Å; V500-L503 PolarHBondContact O-N 3.18Å; V500-K504 HydrophobicContact CG1-CB 4.38Å; V500-K504 VanDerWaalsContact O-CB 3.27Å; V500-K504 WeakPolarHBondContact O-CB 3.28Å; V500-K504 VanDerWaalsContact O-CG 3.25Å; V500-K504 WeakPolarHBondContact O-CG 3.4Å; V500-K504 PolarHBondContact O-N 2.89Å
501K92.4Very high86.5Confident59 Ų5950 Ų5026%0.25727%0.265SS..Hα-helixtrans-50.4-36.9173.2176179.8179.5175.10113.2L489 N496 G497 V498 F499 K505 F527L489-K501 HydrophobicContact CD1-CD 4.32Å; N496-K501 HydrophobicContact CB-CB 4.17Å; G497-K501 VanDerWaalsContact O-CB 3.28Å; G497-K501 WeakPolarHBondContact O-CB 3.45Å; G497-K501 PolarHBondContact O-N 2.88Å; V498-K501 WeakPolarHBondContact O-CB 3.24Å; F499-K501 VanDerWaalsContact C-N 3.31Å; F499-K501 PolarHBondContact O-N 3.29Å; K501-K505 WeakPolarHBondContact O-CE 3.48Å; K501-F527 VanDerWaalsContact NZ-CZ 3.28Å
502F94.9Very high88.2Confident15 Ų1549 Ų497%0.06625%0.253CS..Hα-helixtrans-97.3-41.1178.7-63.1-73.4000112.1V498 F499 V500 K504 K505 V520 D523 M524 F527V498-F502 HydrophobicContact CG1-CD2 4.38Å; V498-F502 HydrophobicContact CG1-CE2 4.08Å; V498-F502 WeakPolarHBondContact O-CD2 3.4Å; F499-F502 PolarHBondContact O-N 3Å; V500-F502 PolarHBondContact O-N 3.02Å; V500-F502 VanDerWaalsContact O-N 3.11Å; F502-K504 VanDerWaalsContact C-N 3.27Å; F502-K504 PolarHBondContact O-N 3.09Å; F502-K505 WeakPolarHBondContact O-CB 3.46Å; F502-K505 PolarHBondContact O-N 3.23Å; F502-K505 VanDerWaalsContact O-N 3.09Å; F502-V520 HydrophobicContact CB-CG1 4.04Å; F502-D523 HydrophobicContact CB-CB 4.35Å; F502-D523 HydrophobicContact CD1-CB 3.76Å; F502-D523 HydrophobicContact CE1-CB 4.44Å; F502-D523 HydrophobicContact CG-CB 4.26Å; F502-M524 HydrophobicContact CB-CG 4.04Å; F502-M524 HydrophobicContact CD2-CB 4.33Å; F502-M524 HydrophobicContact CD2-CG 3.36Å; F502-M524 HydrophobicContact CE2-CG 4.05Å; F502-M524 HydrophobicContact CG-CG 3.9Å; F502-F527 HydrophobicContact CE2-CB 3.99Å; F502-F527 AromaticContact CE2-CD1 3.95Å; F502-F527 HydrophobicContact CE2-CD1 3.95Å; F502-F527 AromaticContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CZ-CB 3.62Å; F502-F527 HydrophobicContact CZ-CD1 4.05Å; F502-F527 AromaticContact CZ-CD2 3.96Å; F502-F527 HydrophobicContact CZ-CD2 3.96Å; F502-F527 AromaticContact CZ-CG 3.61Å; F502-F527 HydrophobicContact CZ-CG 3.61Å
503L96.1Very high90.3Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-54.6-44.5178.5-178.963.3000111.9L358 L449 F499 V500 K505 R506 L507 L517 V520L358-L503 HydrophobicContact CD1-CD2 4.38Å; L358-L503 HydrophobicContact CD2-CD2 3.88Å; L358-L503 HydrophobicContact CD2-CG 4.34Å; L449-L503 HydrophobicContact CD1-CD2 3.9Å; F499-L503 HydrophobicContact CD2-CB 4.47Å; F499-L503 HydrophobicContact CE1-CD2 4.01Å; F499-L503 HydrophobicContact CE2-CB 4.26Å; F499-L503 HydrophobicContact CE2-CD2 4.23Å; F499-L503 HydrophobicContact CZ-CD2 3.78Å; F499-L503 WeakPolarHBondContact O-CB 3.44Å; F499-L503 PolarHBondContact O-N 3.21Å; V500-L503 PolarHBondContact O-N 3.18Å; L503-K505 PolarHBondContact O-N 3.01Å; L503-R506 PolarHBondContact O-N 3.35Å; L503-L507 HydrophobicContact CD1-CD1 3.85Å; L503-L507 HydrophobicContact CD2-CD1 4.47Å; L503-L507 HydrophobicContact CG-CD1 4.11Å; L503-L507 WeakPolarHBondContact O-CB 3.38Å; L503-L507 PolarHBondContact O-N 3.27Å; L503-L517 HydrophobicContact CD1-CD2 4.03Å; L503-V520 HydrophobicContact CB-CG1 4.4Å; L503-V520 HydrophobicContact CD1-CG2 4.08Å
504K94.4Very high92Very high72 Ų7240.6 Ų40.631%0.31319%0.193SC..Hα-helixtrans-61.3-20.4-177.280.4-175.2-157.5168.10114.3D357 L361 N496 V500 F502D357-K504 IonicContact OD2-NZ 3.27Å; D357-K504 PolarHBondContact OD2-NZ 3.16Å; L361-K504 HydrophobicContact CD1-CB 3.63Å; N496-K504 WeakPolarHBondContact OD1-CE 3.15Å; N496-K504 PolarHBondContact OD1-NZ 2.78Å; V500-K504 HydrophobicContact CG1-CB 4.38Å; V500-K504 VanDerWaalsContact O-CB 3.27Å; V500-K504 WeakPolarHBondContact O-CB 3.28Å; V500-K504 VanDerWaalsContact O-CG 3.25Å; V500-K504 WeakPolarHBondContact O-CG 3.4Å; V500-K504 PolarHBondContact O-N 2.89Å; F502-K504 VanDerWaalsContact C-N 3.27Å; F502-K504 PolarHBondContact O-N 3.09Å
505K95.3Very high93.3Very high126 Ų12637.8 Ų37.855%0.54819%0.185SC..Hα-helixtrans-81.5-21.7177.7-59.5179.1-178.8177.50113.5K501 F502 L503K501-K505 WeakPolarHBondContact O-CE 3.48Å; F502-K505 WeakPolarHBondContact O-CB 3.46Å; F502-K505 PolarHBondContact O-N 3.23Å; F502-K505 VanDerWaalsContact O-N 3.09Å; L503-K505 PolarHBondContact O-N 3.01Å
506R96.3Very high94Very high73 Ų7335.4 Ų35.428%0.27517%0.17SC..Hα-helixtrans-117.9-14.5-172-55.7-64.5-169.7168.44.7113L503 L508 D509 V516 V520 D523L503-R506 PolarHBondContact O-N 3.35Å; R506-L508 PolarHBondContact O-N 2.98Å; R506-L508 VanDerWaalsContact O-N 3.12Å; R506-D509 VanDerWaalsContact O-CB 3.26Å; R506-D509 WeakPolarHBondContact O-CB 3.43Å; R506-D509 PolarHBondContact O-N 3.37Å; R506-V516 HydrophobicContact CB-CG1 3.97Å; R506-V516 WeakPolarHBondContact O-CG1 3.5Å; R506-V520 HydrophobicContact CB-CG2 3.82Å; R506-V520 HydrophobicContact CG-CG2 3.86Å; R506-D523 IonicContact CZ-OD1 2.76Å; R506-D523 IonicContact CZ-OD2 2.61Å; R506-D523 IonicContact NE-OD2 2.83Å; R506-D523 PolarHBondContact NE-OD2 3.25Å; R506-D523 IonicContact NH2-OD1 2.89Å; R506-D523 PolarHBondContact NH2-OD1 3.27Å; R506-D523 IonicContact NH2-OD2 3.31Å; R506-D523 PolarHBondContact NH2-OD2 3.14Å; R506-D523 VanDerWaalsContact NH2-OD2 3.1Å
507L95.6Very high94.5Very high3 Ų334.6 Ų34.62%0.01617%0.166CC..THydrogen-bonded Turntrans-59.5-27.8-173-163.570.7000113.5L358 L361 L362 L365 L503 L548L358-L507 HydrophobicContact CD2-CD2 3.79Å; L361-L507 HydrophobicContact CB-CD2 3.84Å; L361-L507 HydrophobicContact CD1-CB 4.43Å; L361-L507 HydrophobicContact CD1-CD2 4.16Å; L362-L507 HydrophobicContact CD2-CD2 4.22Å; L362-L507 HydrophobicContact CG-CD2 4.3Å; L365-L507 HydrophobicContact CD1-CG 4.38Å; L503-L507 HydrophobicContact CD1-CD1 3.85Å; L503-L507 HydrophobicContact CD2-CD1 4.47Å; L503-L507 HydrophobicContact CG-CD1 4.11Å; L503-L507 WeakPolarHBondContact O-CB 3.38Å; L503-L507 PolarHBondContact O-N 3.27Å; L507-L548 HydrophobicContact CD1-CD1 3.59Å; L507-L548 HydrophobicContact CG-CD1 4.22Å
508L95.6Very high94.9Very high72 Ų7238.7 Ų38.738%0.37719%0.187SC..THydrogen-bonded Turntrans-88.4-2.9178.8-57.3-178.7000113.7L361 Q364 L365 R506 D510L361-L508 HydrophobicContact CB-CD2 4.4Å; L361-L508 HydrophobicContact CD2-CD1 3.78Å; L361-L508 HydrophobicContact CD2-CD2 4.14Å; L361-L508 HydrophobicContact CD2-CG 3.96Å; Q364-L508 HydrophobicContact CB-CD2 4.4Å; L365-L508 HydrophobicContact CD1-CD2 3.98Å; L365-L508 HydrophobicContact CD2-CD2 3.75Å; L365-L508 HydrophobicContact CG-CD2 3.63Å; R506-L508 PolarHBondContact O-N 2.98Å; R506-L508 VanDerWaalsContact O-N 3.12Å; L508-D510 PolarHBondContact O-N 3.43Å
509D94.9Very high95.1Very high44 Ų4442.3 Ų42.324%0.23520%0.201CC..SBendtrans-63.7131.7178-70.92.9000109.7R506 E511 V516 R519R506-D509 VanDerWaalsContact O-CB 3.26Å; R506-D509 WeakPolarHBondContact O-CB 3.43Å; R506-D509 PolarHBondContact O-N 3.37Å; D509-E511 HydrophobicContact CB-CG 4.28Å; D509-E511 PolarHBondContact O-N 2.79Å; D509-V516 HydrophobicContact CB-CG2 4.27Å; D509-R519 IonicContact OD2-NH1 3.22Å; D509-R519 PolarHBondContact OD2-NH1 3.27Å
510D92.8Very high95.3Very high81 Ų8142.3 Ų42.343%0.43320%0.201SC..SBendtrans-77.561.1177.7-173.935.5000112.6L508 R545 T549L508-D510 PolarHBondContact O-N 3.43Å; D510-R545 PolarHBondContact O-NH2 3.48Å; D510-T549 HydrophobicContact CB-CG2 4.3Å; D510-T549 WeakPolarHBondContact OD1-CB 3.49Å; D510-T549 PolarHBondContact OD1-OG1 3.02Å
511E93.4Very high95.3Very high55 Ų5543.5 Ų43.526%0.25721%0.211SC..SBendtrans-130.6157.8-174.8-65.6-76.8-155.200110.8D509 I513 V515 V516 R519 R545 A547D509-E511 HydrophobicContact CB-CG 4.28Å; D509-E511 PolarHBondContact O-N 2.79Å; E511-I513 PolarHBondContact O-N 3.45Å; E511-V515 HydrophobicContact CB-CB 4.46Å; E511-V515 HydrophobicContact CB-CG1 4.47Å; E511-V516 HydrophobicContact CB-CG2 3.86Å; E511-R519 IonicContact OE1-CZ 3.67Å; E511-R519 IonicContact OE1-NH1 3.93Å; E511-R519 IonicContact OE1-NH2 3.98Å; E511-R519 PolarHBondContact OE1-NH2 2.92Å; E511-R545 IonicContact OE2-NH2 2.88Å; E511-R545 PolarHBondContact OE2-NH2 2.92Å; E511-A547 WeakPolarHBondContact O-CB 3.36Å
512K94.1Very high95.3Very high38 Ų3846.1 Ų46.117%0.16522%0.224CC..  trans-53132.3171.9-176.3179.6177.1163.70108.7T514 V515 V516 L542 S543 E544 R545 R546K512-T514 VanDerWaalsContact CD-OG1 3.31Å; K512-T514 WeakPolarHBondContact CD-OG1 3.12Å; K512-T514 VanDerWaalsContact CE-OG1 3.31Å; K512-T514 WeakPolarHBondContact CE-OG1 3.34Å; K512-T514 WeakPolarHBondContact CG-OG1 3.22Å; K512-T514 PolarHBondContact O-N 3.39Å; K512-V515 HydrophobicContact CB-CG2 4.15Å; K512-V515 WeakPolarHBondContact O-CA 3.27Å; K512-V515 WeakPolarHBondContact O-CB 3.41Å; K512-V515 PolarHBondContact O-N 2.9Å; K512-V516 PolarHBondContact O-N 3.14Å; K512-V516 VanDerWaalsContact O-N 3.12Å; K512-L542 HydrophobicContact CG-CD2 4.14Å; K512-L542 PolarHBondContact NZ-O 2.91Å; K512-S543 PolarHBondContact NZ-O 3.01Å; K512-S543 VanDerWaalsContact NZ-O 3.17Å; K512-E544 WeakPolarHBondContact CE-O 3.37Å; K512-E544 PolarHBondContact NZ-O 2.81Å; K512-E544 VanDerWaalsContact NZ-O 3.16Å; K512-R545 HydrophobicContact CB-CG 4.04Å; K512-R546 WeakPolarHBondContact CA-O 3.23Å
513I97.1Very high95.2Very high1 Ų146.7 Ų46.71%0.00523%0.228CC..Hα-helixtrans-54.3-31.6-174.7-179.855.9000113.2V447 V475 E511 V515 V516 L517 L542 R546 L548V447-I513 HydrophobicContact CG1-CG1 4.46Å; V475-I513 HydrophobicContact CB-CG2 4.5Å; V475-I513 HydrophobicContact CG1-CG1 4.48Å; V475-I513 HydrophobicContact CG1-CG2 4.45Å; V475-I513 HydrophobicContact CG2-CG2 3.87Å; E511-I513 PolarHBondContact O-N 3.45Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 3.02Å; I513-V516 HydrophobicContact CD1-CB 4.34Å; I513-V516 PolarHBondContact O-N 2.94Å; I513-L517 HydrophobicContact CD1-CD1 4.48Å; I513-L517 HydrophobicContact CD1-CG 4.17Å; I513-L517 HydrophobicContact CG1-CD1 4.34Å; I513-L517 HydrophobicContact CG1-CG 4.49Å; I513-L517 WeakPolarHBondContact O-CG 3.25Å; I513-L517 PolarHBondContact O-N 3.33Å; I513-L542 HydrophobicContact CG2-CD2 3.63Å; I513-R546 PolarHBondContact N-O 2.97Å; I513-R546 VanDerWaalsContact N-O 3.16Å; I513-L548 HydrophobicContact CD1-CD1 3.76Å; I513-L548 HydrophobicContact CD1-CD2 4.44Å; I513-L548 HydrophobicContact CD1-CG 3.95Å; I513-L548 HydrophobicContact CG1-CD2 4.48Å; I513-L548 HydrophobicContact CG1-CG 4.42Å
514T95.4Very high95Very high27 Ų2746.9 Ų46.917%0.16623%0.229CC..Hα-helixtrans-65.3-36.5174.655.10000112.9V475 K512 D518 S540 L542V475-T514 HydrophobicContact CG1-CG2 4.29Å; V475-T514 HydrophobicContact CG2-CG2 4.15Å; K512-T514 VanDerWaalsContact CD-OG1 3.31Å; K512-T514 WeakPolarHBondContact CD-OG1 3.12Å; K512-T514 VanDerWaalsContact CE-OG1 3.31Å; K512-T514 WeakPolarHBondContact CE-OG1 3.34Å; K512-T514 WeakPolarHBondContact CG-OG1 3.22Å; K512-T514 PolarHBondContact O-N 3.39Å; T514-D518 WeakPolarHBondContact O-CB 3.32Å; T514-D518 PolarHBondContact O-N 2.91Å; T514-S540 WeakPolarHBondContact CG2-OG 3.29Å; T514-L542 HydrophobicContact CG2-CB 4.46Å; T514-L542 HydrophobicContact CG2-CD2 4.39Å
515V95.3Very high94.7Very high53 Ų5346.1 Ų46.132%0.32124%0.241SC..Hα-helixtrans-71.6-39.5176.5178.40000110.4E511 K512 I513 D518 R519E511-V515 HydrophobicContact CB-CB 4.46Å; E511-V515 HydrophobicContact CB-CG1 4.47Å; K512-V515 HydrophobicContact CB-CG2 4.15Å; K512-V515 WeakPolarHBondContact O-CA 3.27Å; K512-V515 WeakPolarHBondContact O-CB 3.41Å; K512-V515 PolarHBondContact O-N 2.9Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 3.02Å; V515-D518 PolarHBondContact O-N 2.99Å; V515-R519 WeakPolarHBondContact O-CG 3.15Å; V515-R519 PolarHBondContact O-N 3.35Å
516V97.3Very high94.5Very high4 Ų447.4 Ų47.42%0.02425%0.249CC..Hα-helixtrans-57.2-50.6173174.90000110.3R506 D509 E511 K512 I513 D518 R519 V520R506-V516 HydrophobicContact CB-CG1 3.97Å; R506-V516 WeakPolarHBondContact O-CG1 3.5Å; D509-V516 HydrophobicContact CB-CG2 4.27Å; E511-V516 HydrophobicContact CB-CG2 3.86Å; K512-V516 PolarHBondContact O-N 3.14Å; K512-V516 VanDerWaalsContact O-N 3.12Å; I513-V516 HydrophobicContact CD1-CB 4.34Å; I513-V516 PolarHBondContact O-N 2.94Å; V516-D518 VanDerWaalsContact C-N 3.32Å; V516-D518 PolarHBondContact O-N 3.07Å; V516-R519 PolarHBondContact O-N 3.22Å; V516-V520 WeakPolarHBondContact O-CG2 3.48Å; V516-V520 PolarHBondContact O-N 3.08Å
517L97.6Very high94.1Very high0 Ų046.1 Ų46.10%025%0.245CC..Hα-helixtrans-64.6-35.5178.9-68175.3000112.6L449 V475 L503 I513 V520 A521 L536 I538L449-L517 HydrophobicContact CD2-CD1 4.39Å; L449-L517 HydrophobicContact CD2-CD2 4.05Å; V475-L517 HydrophobicContact CG1-CD1 3.66Å; L503-L517 HydrophobicContact CD1-CD2 4.03Å; I513-L517 HydrophobicContact CD1-CD1 4.48Å; I513-L517 HydrophobicContact CD1-CG 4.17Å; I513-L517 HydrophobicContact CG1-CD1 4.34Å; I513-L517 HydrophobicContact CG1-CG 4.49Å; I513-L517 WeakPolarHBondContact O-CG 3.25Å; I513-L517 PolarHBondContact O-N 3.33Å; L517-V520 WeakPolarHBondContact O-CB 2.92Å; L517-V520 PolarHBondContact O-N 3.18Å; L517-A521 PolarHBondContact O-N 3.09Å; L517-L536 HydrophobicContact CB-CD2 4.34Å; L517-L536 VanDerWaalsContact O-CD2 3.23Å; L517-L536 WeakPolarHBondContact O-CD2 3.23Å; L517-I538 VanDerWaalsContact C-CD1 3.44Å; L517-I538 HydrophobicContact CB-CD1 3.69Å; L517-I538 HydrophobicContact CB-CG1 4.02Å; L517-I538 HydrophobicContact CD1-CG2 4.43Å
518D95.9Very high93.6Very high88 Ų8852 Ų5247%0.47128%0.277SS..Hα-helixtrans-63.1-45.2176.6-157.743.7000111.2T514 V515 V516 V520 A521 E522 I538T514-D518 WeakPolarHBondContact O-CB 3.32Å; T514-D518 PolarHBondContact O-N 2.91Å; V515-D518 PolarHBondContact O-N 2.99Å; V516-D518 VanDerWaalsContact C-N 3.32Å; V516-D518 PolarHBondContact O-N 3.07Å; D518-V520 VanDerWaalsContact C-N 3.3Å; D518-V520 PolarHBondContact O-N 3.38Å; D518-A521 WeakPolarHBondContact O-CB 3.11Å; D518-A521 PolarHBondContact O-N 3.11Å; D518-A521 VanDerWaalsContact O-N 3.09Å; D518-E522 PolarHBondContact O-N 2.94Å; D518-I538 HydrophobicContact CB-CD1 4.24Å
519R96.1Very high93Very high77 Ų7751.4 Ų51.429%0.29128%0.282SS..Hα-helixtrans-61.4-37.4172.8-68.9-178.7-176165.78.1112.4D509 E511 V515 V516 A521 E522 D523D509-R519 IonicContact OD2-NH1 3.22Å; D509-R519 PolarHBondContact OD2-NH1 3.27Å; E511-R519 IonicContact OE1-CZ 3.67Å; E511-R519 IonicContact OE1-NH1 3.93Å; E511-R519 IonicContact OE1-NH2 3.98Å; E511-R519 PolarHBondContact OE1-NH2 2.92Å; V515-R519 WeakPolarHBondContact O-CG 3.15Å; V515-R519 PolarHBondContact O-N 3.35Å; V516-R519 PolarHBondContact O-N 3.22Å; R519-A521 VanDerWaalsContact C-N 3.33Å; R519-E522 PolarHBondContact O-N 3.1Å; R519-D523 VanDerWaalsContact O-CG 3.26Å; R519-D523 PolarHBondContact O-N 2.86Å
520V95.9Very high92.3Very high0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-64.8-39.5174.4173.40000110.9F499 F502 L503 R506 V516 L517 D518 D523 M524 L536F499-V520 HydrophobicContact CD2-CG1 4.35Å; F499-V520 HydrophobicContact CE2-CG1 4.21Å; F502-V520 HydrophobicContact CB-CG1 4.04Å; L503-V520 HydrophobicContact CB-CG1 4.4Å; L503-V520 HydrophobicContact CD1-CG2 4.08Å; R506-V520 HydrophobicContact CB-CG2 3.82Å; R506-V520 HydrophobicContact CG-CG2 3.86Å; V516-V520 WeakPolarHBondContact O-CG2 3.48Å; V516-V520 PolarHBondContact O-N 3.08Å; L517-V520 WeakPolarHBondContact O-CB 2.92Å; L517-V520 PolarHBondContact O-N 3.18Å; D518-V520 VanDerWaalsContact C-N 3.3Å; D518-V520 PolarHBondContact O-N 3.38Å; V520-D523 PolarHBondContact O-N 3.07Å; V520-M524 HydrophobicContact CG1-CG 4.46Å; V520-M524 HydrophobicContact CG1-SD 4.04Å; V520-M524 WeakPolarHBondContact O-CB 3.23Å; V520-M524 VanDerWaalsContact O-CG 3.31Å; V520-M524 WeakPolarHBondContact O-CG 3.43Å; V520-M524 PolarHBondContact O-N 3.14Å; V520-L536 HydrophobicContact CB-CD2 4.35Å; V520-L536 HydrophobicContact CG1-CD2 4.22Å
521A94.3Very high91.8Very high25 Ų2552.9 Ų52.921%0.20728%0.283CS..Hα-helixtrans-62.6-41.9174.800000111.8L517 D518 R519 M524 G525 L536L517-A521 PolarHBondContact O-N 3.09Å; D518-A521 WeakPolarHBondContact O-CB 3.11Å; D518-A521 PolarHBondContact O-N 3.11Å; D518-A521 VanDerWaalsContact O-N 3.09Å; R519-A521 VanDerWaalsContact C-N 3.33Å; A521-M524 PolarHBondContact O-N 3.32Å; A521-G525 PolarHBondContact O-N 3.4Å; A521-L536 HydrophobicContact CB-CB 3.84Å; A521-L536 HydrophobicContact CB-CD2 3.9Å; A521-L536 HydrophobicContact CB-CG 4.46Å
522E93.3Very high91Very high114 Ų11454.6 Ų54.653%0.53332%0.316SS..Hα-helixtrans-61.4-48.6174.3-68.6179.6168.500111.9D518 R519 M524 G525 Q526D518-E522 PolarHBondContact O-N 2.94Å; R519-E522 PolarHBondContact O-N 3.1Å; E522-M524 VanDerWaalsContact C-N 3.32Å; E522-M524 PolarHBondContact O-N 3.21Å; E522-G525 PolarHBondContact O-N 3.43Å; E522-G525 VanDerWaalsContact O-N 3.14Å; E522-Q526 PolarHBondContact O-N 3.47Å
523D92.9Very high90.3Very high28 Ų2859.1 Ų59.115%0.1534%0.336CS..Hα-helixtrans-61-41.1178.6-70.3-21.9000111.1F502 R506 R519 V520 Q526F502-D523 HydrophobicContact CB-CB 4.35Å; F502-D523 HydrophobicContact CD1-CB 3.76Å; F502-D523 HydrophobicContact CE1-CB 4.44Å; F502-D523 HydrophobicContact CG-CB 4.26Å; R506-D523 IonicContact CZ-OD1 2.76Å; R506-D523 IonicContact CZ-OD2 2.61Å; R506-D523 IonicContact NE-OD2 2.83Å; R506-D523 PolarHBondContact NE-OD2 3.25Å; R506-D523 IonicContact NH2-OD1 2.89Å; R506-D523 PolarHBondContact NH2-OD1 3.27Å; R506-D523 IonicContact NH2-OD2 3.31Å; R506-D523 PolarHBondContact NH2-OD2 3.14Å; R506-D523 VanDerWaalsContact NH2-OD2 3.1Å; R519-D523 VanDerWaalsContact O-CG 3.26Å; R519-D523 PolarHBondContact O-N 2.86Å; V520-D523 PolarHBondContact O-N 3.07Å; D523-Q526 PolarHBondContact O-N 3.32Å
524M91.8Very high89.8Confident4 Ų459.5 Ų59.52%0.0234%0.337CS..Hα-helixtrans-65.4-38174.2-77176.268.900112.4V498 F499 F502 V520 A521 E522 Q526 F527 Q534 L536V498-M524 HydrophobicContact CG1-CE 4.2Å; F499-M524 HydrophobicContact CD2-SD 4.06Å; F502-M524 HydrophobicContact CB-CG 4.04Å; F502-M524 HydrophobicContact CD2-CB 4.33Å; F502-M524 HydrophobicContact CD2-CG 3.36Å; F502-M524 HydrophobicContact CE2-CG 4.05Å; F502-M524 HydrophobicContact CG-CG 3.9Å; V520-M524 HydrophobicContact CG1-CG 4.46Å; V520-M524 HydrophobicContact CG1-SD 4.04Å; V520-M524 WeakPolarHBondContact O-CB 3.23Å; V520-M524 VanDerWaalsContact O-CG 3.31Å; V520-M524 WeakPolarHBondContact O-CG 3.43Å; V520-M524 PolarHBondContact O-N 3.14Å; A521-M524 PolarHBondContact O-N 3.32Å; E522-M524 VanDerWaalsContact C-N 3.32Å; E522-M524 PolarHBondContact O-N 3.21Å; M524-Q526 PolarHBondContact O-N 3.13Å; M524-F527 WeakPolarHBondContact O-CB 3.41Å; M524-F527 PolarHBondContact O-N 3.04Å; M524-Q534 HydrophobicContact CE-CG 4.27Å; M524-L536 HydrophobicContact CE-CB 4.39Å; M524-L536 HydrophobicContact SD-CB 3.99Å; M524-L536 HydrophobicContact SD-CD1 4.1Å
525G88.8Confident89.6Confident55 Ų5560.6 Ų60.657%0.56735%0.349SS*.Hα-helixtrans-65.8-24.3179.200000113.9A521 E522 F527A521-G525 PolarHBondContact O-N 3.4Å; E522-G525 PolarHBondContact O-N 3.43Å; E522-G525 VanDerWaalsContact O-N 3.14Å; G525-F527 VanDerWaalsContact C-N 3.32Å
526Q90Very high89.5Confident153 Ų15359 Ų5972%0.71534%0.338SS*.THydrogen-bonded Turntrans-83.8-6.5174.4-64.1177.521.800113.1E522 D523 M524 D528E522-Q526 PolarHBondContact O-N 3.47Å; D523-Q526 PolarHBondContact O-N 3.32Å; M524-Q526 PolarHBondContact O-N 3.13Å; Q526-D528 PolarHBondContact O-N 3.19Å
527F88.9Confident89.3Confident46 Ų4660.7 Ų60.720%0.20235%0.346CS..  trans-87.6105.1-177.7-169.6-128.7000111.7L489 V498 K501 F502 M524 G525 A529 T530 K531L489-F527 HydrophobicContact CD1-CZ 4.41Å; L489-F527 HydrophobicContact CD2-CE1 4.28Å; L489-F527 HydrophobicContact CD2-CZ 4.29Å; V498-F527 HydrophobicContact CG1-CD1 4.24Å; K501-F527 VanDerWaalsContact NZ-CZ 3.28Å; F502-F527 HydrophobicContact CE2-CB 3.99Å; F502-F527 AromaticContact CE2-CD1 3.95Å; F502-F527 HydrophobicContact CE2-CD1 3.95Å; F502-F527 AromaticContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CE2-CG 3.96Å; F502-F527 HydrophobicContact CZ-CB 3.62Å; F502-F527 HydrophobicContact CZ-CD1 4.05Å; F502-F527 AromaticContact CZ-CD2 3.96Å; F502-F527 HydrophobicContact CZ-CD2 3.96Å; F502-F527 AromaticContact CZ-CG 3.61Å; F502-F527 HydrophobicContact CZ-CG 3.61Å; M524-F527 WeakPolarHBondContact O-CB 3.41Å; M524-F527 PolarHBondContact O-N 3.04Å; G525-F527 VanDerWaalsContact C-N 3.32Å; F527-A529 VanDerWaalsContact C-N 3.25Å; F527-A529 HydrophobicContact CD1-CB 4.22Å; F527-A529 HydrophobicContact CE1-CB 3.65Å; F527-A529 HydrophobicContact CE2-CB 4.33Å; F527-A529 HydrophobicContact CZ-CB 3.69Å; F527-A529 PolarHBondContact O-N 2.91Å; F527-A529 VanDerWaalsContact O-N 3.15Å; F527-T530 HydrophobicContact CD1-CG2 4.1Å; F527-T530 WeakPolarHBondContact CD1-OG1 3.35Å; F527-T530 HydrophobicContact CE1-CG2 4.25Å; F527-T530 PolarHBondContact O-N 3.47Å; F527-T530 PolarHBondContact O-OG1 2.96Å; F527-K531 PolarHBondContact O-N 2.65Å
528D84.9Confident89.2Confident126 Ų12663.1 Ų63.167%0.67436%0.359SS*.G310 helixtrans-58.7-31.7-173.2-73.3-39000114.3Q526 T530 K531Q526-D528 PolarHBondContact O-N 3.19Å; D528-T530 VanDerWaalsContact C-N 3.26Å; D528-T530 PolarHBondContact O-N 2.83Å; D528-K531 WeakPolarHBondContact O-CB 3.42Å; D528-K531 PolarHBondContact O-N 2.81Å
529A81.6Confident89.1Confident60 Ų6063.4 Ų63.450%0.49635%0.353SS..G310 helixtrans-66.7-25-176.100000113.7F527F527-A529 VanDerWaalsContact C-N 3.25Å; F527-A529 HydrophobicContact CD1-CB 4.22Å; F527-A529 HydrophobicContact CE1-CB 3.65Å; F527-A529 HydrophobicContact CE2-CB 4.33Å; F527-A529 HydrophobicContact CZ-CB 3.69Å; F527-A529 PolarHBondContact O-N 2.91Å; F527-A529 VanDerWaalsContact O-N 3.15Å
530T80Confident89Confident6 Ų662.5 Ų62.54%0.03736%0.358CS..G310 helixtrans-1112.8179.852.50000113.8V498 F527 D528 G532 K533 Q534V498-T530 HydrophobicContact CB-CG2 4.22Å; V498-T530 HydrophobicContact CG1-CG2 3.74Å; V498-T530 HydrophobicContact CG2-CG2 3.57Å; F527-T530 HydrophobicContact CD1-CG2 4.1Å; F527-T530 WeakPolarHBondContact CD1-OG1 3.35Å; F527-T530 HydrophobicContact CE1-CG2 4.25Å; F527-T530 PolarHBondContact O-N 3.47Å; F527-T530 PolarHBondContact O-OG1 2.96Å; D528-T530 VanDerWaalsContact C-N 3.26Å; D528-T530 PolarHBondContact O-N 2.83Å; T530-G532 PolarHBondContact O-N 3.39Å; T530-K533 PolarHBondContact O-N 3.22Å; T530-Q534 PolarHBondContact O-N 3.13Å
531K82.3Confident88.7Confident150 Ų15065 Ų6565%0.65238%0.376SS*.THydrogen-bonded Turntrans-57.8121.8-179.4-164.3173.1-169.8168.20111.3F527 D528 K533F527-K531 PolarHBondContact O-N 2.65Å; D528-K531 WeakPolarHBondContact O-CB 3.42Å; D528-K531 PolarHBondContact O-N 2.81Å; K531-K533 PolarHBondContact O-N 2.85Å
532G77.8Confident88.6Confident91 Ų9164.3 Ų64.394%0.93837%0.369SS*.THydrogen-bonded Turntrans74.13.8-177.900000115.3T530T530-G532 PolarHBondContact O-N 3.39Å
533K80.2Confident88.1Confident134 Ų13462.8 Ų62.858%0.58337%0.371SS*.THydrogen-bonded Turntrans-114.9-40.1178.3-65.6-176.5179.4178.80112.9F487 T530 K531F487-K533 HydrophobicContact CD2-CB 4.4Å; F487-K533 HydrophobicContact CE2-CB 3.79Å; F487-K533 HydrophobicContact CZ-CB 4.42Å; T530-K533 PolarHBondContact O-N 3.22Å; K531-K533 PolarHBondContact O-N 2.85Å
534Q86.6Confident87.8Confident9 Ų965.5 Ų65.54%0.04238%0.382CS..  trans-142.1132.7-179.4179.3176.80.500109.6A479 F487 M524 T530A479-Q534 WeakPolarHBondContact O-CG 2.92Å; A479-Q534 PolarHBondContact O-NE2 3.45Å; F487-Q534 HydrophobicContact CD2-CB 4.09Å; M524-Q534 HydrophobicContact CE-CG 4.27Å; T530-Q534 PolarHBondContact O-N 3.13Å
535A89.4Confident87.7Confident49 Ų4970.4 Ų70.441%0.40540%0.401SS..  trans-144.5141.7175.800000109.1T480 C481 E537T480-A535 CarbonylContact C-O 3.47Å; T480-A535 VanDerWaalsContact C-O 3.32Å; T480-A535 WeakPolarHBondContact CA-O 3.48Å; C481-A535 PolarHBondContact N-O 3.31Å; A535-E537 PolarHBondContact O-N 2.92Å
536L93.2Very high87.9Confident19 Ų1969.5 Ų69.510%0.09938%0.38CS..  trans-68.3131179.2-165.179.2000110.4Y478 F499 L517 V520 A521 M524 I538Y478-L536 WeakPolarHBondContact O-CA 3.5Å; Y478-L536 WeakPolarHBondContact O-CD1 3.42Å; F499-L536 HydrophobicContact CD2-CD1 3.42Å; F499-L536 VanDerWaalsContact CD2-CD1 3.42Å; F499-L536 HydrophobicContact CE2-CD1 3.18Å; F499-L536 HydrophobicContact CE2-CD2 4.4Å; F499-L536 HydrophobicContact CE2-CG 4.44Å; F499-L536 HydrophobicContact CG-CD1 4.41Å; F499-L536 HydrophobicContact CZ-CD1 4Å; L517-L536 HydrophobicContact CB-CD2 4.34Å; L517-L536 VanDerWaalsContact O-CD2 3.23Å; L517-L536 WeakPolarHBondContact O-CD2 3.23Å; V520-L536 HydrophobicContact CB-CD2 4.35Å; V520-L536 HydrophobicContact CG1-CD2 4.22Å; A521-L536 HydrophobicContact CB-CB 3.84Å; A521-L536 HydrophobicContact CB-CD2 3.9Å; A521-L536 HydrophobicContact CB-CG 4.46Å; M524-L536 HydrophobicContact CE-CB 4.39Å; M524-L536 HydrophobicContact SD-CB 3.99Å; M524-L536 HydrophobicContact SD-CD1 4.1Å; L536-I538 HydrophobicContact CD2-CD1 4.24Å; L536-I538 HydrophobicContact CD2-CG1 3.99Å; L536-I538 HydrophobicContact CG-CG1 4.41Å
537E94.8Very high88.2Confident40 Ų4062.2 Ų62.219%0.18735%0.346CS..EExtended strand (participates in β ladder)trans-108.4128.2169-174.6-177.3162.800109.6R454 Y478 Q482 A535 R539R454-E537 IonicContact CZ-OE2 3.96Å; R454-E537 IonicContact NH1-OE2 3.39Å; R454-E537 PolarHBondContact NH1-OE2 3Å; R454-E537 IonicContact NH2-OE2 3.27Å; Y478-E537 HydrophobicContact CD2-CB 4.45Å; Y478-E537 PolarHBondContact N-O 3.05Å; Y478-E537 PolarHBondContact O-N 3.13Å; Q482-E537 PolarHBondContact N-OE2 3.35Å; A535-E537 PolarHBondContact O-N 2.92Å; E537-R539 IonicContact OE1-CZ 3.53Å; E537-R539 IonicContact OE1-NE 2.68Å; E537-R539 PolarHBondContact OE1-NE 2.83Å; E537-R539 IonicContact OE1-NH2 3.63Å; E537-R539 PolarHBondContact OE1-NH2 3.01Å
538I95.5Very high88.5Confident52 Ų5260.3 Ų60.327%0.26734%0.338SS..EExtended strand (participates in β ladder)trans-110.5123.9178.7-53166.5000108.3F476 L517 D518 L536F476-I538 WeakPolarHBondContact O-CA 3.43Å; L517-I538 VanDerWaalsContact C-CD1 3.44Å; L517-I538 HydrophobicContact CB-CD1 3.69Å; L517-I538 HydrophobicContact CB-CG1 4.02Å; L517-I538 HydrophobicContact CD1-CG2 4.43Å; D518-I538 HydrophobicContact CB-CD1 4.24Å; L536-I538 HydrophobicContact CD2-CD1 4.24Å; L536-I538 HydrophobicContact CD2-CG1 3.99Å; L536-I538 HydrophobicContact CG-CG1 4.41Å
539R93.2Very high89.1Confident94 Ų9455.9 Ų55.936%0.35532%0.316SS..EExtended strand (participates in β ladder)trans-119.1119.6169-64-172.4179.9175.81.8109.1F476 Y478 E537F476-R539 HydrophobicContact CB-CB 4.24Å; F476-R539 PolarHBondContact N-O 3.49Å; F476-R539 PolarHBondContact O-N 3.13Å; Y478-R539 HydrophobicContact CE2-CB 4.33Å; Y478-R539 HydrophobicContact CE2-CG 4.09Å; E537-R539 IonicContact OE1-CZ 3.53Å; E537-R539 IonicContact OE1-NE 2.68Å; E537-R539 PolarHBondContact OE1-NE 2.83Å; E537-R539 IonicContact OE1-NH2 3.63Å; E537-R539 PolarHBondContact OE1-NH2 3.01Å
540S93.2Very high89.7Confident57 Ų5753.2 Ų53.240%0.39929%0.293SS..EExtended strand (participates in β ladder)trans-138.1138.3-175.8-178.70000111.9I474 T514 L542I474-S540 WeakPolarHBondContact O-CA 3.45Å; I474-S540 PolarHBondContact O-OG 3.04Å; T514-S540 WeakPolarHBondContact CG2-OG 3.29Å; S540-L542 WeakPolarHBondContact OG-CB 3.34Å; S540-L542 PolarHBondContact OG-N 3.33Å
541S90.2Very high90.1Very high54 Ų5454.9 Ų54.938%0.37830%0.304SS..  trans-111.68.716474.70000111.5A472 I474 S543A472-S541 CarbonylContact C-O 3.4Å; A472-S541 WeakPolarHBondContact CA-O 3.37Å; I474-S541 PolarHBondContact O-N 3.08Å; S541-S543 PolarHBondContact O-N 2.59Å
542L91.3Very high90.3Very high10 Ų1050.6 Ų50.65%0.05229%0.288CS..  trans-66.7110.2-17517864.2000111.1L445 A472 N473 V475 K512 I513 T514 S540 E544 R546L445-L542 HydrophobicContact CD1-CD1 3.78Å; L445-L542 HydrophobicContact CD1-CD2 3.95Å; L445-L542 HydrophobicContact CD1-CG 4.43Å; A472-L542 VanDerWaalsContact O-CA 3.29Å; A472-L542 WeakPolarHBondContact O-CA 3.29Å; N473-L542 HydrophobicContact CB-CD1 4.35Å; V475-L542 HydrophobicContact CG2-CB 3.7Å; V475-L542 HydrophobicContact CG2-CD2 3.83Å; V475-L542 HydrophobicContact CG2-CG 4.36Å; K512-L542 HydrophobicContact CG-CD2 4.14Å; K512-L542 PolarHBondContact NZ-O 2.91Å; I513-L542 HydrophobicContact CG2-CD2 3.63Å; T514-L542 HydrophobicContact CG2-CB 4.46Å; T514-L542 HydrophobicContact CG2-CD2 4.39Å; S540-L542 WeakPolarHBondContact OG-CB 3.34Å; S540-L542 PolarHBondContact OG-N 3.33Å; L542-E544 WeakPolarHBondContact CG-O 3.23Å; L542-R546 HydrophobicContact CD1-CB 4.22Å; L542-R546 HydrophobicContact CD1-CG 4.28Å; L542-R546 HydrophobicContact CD2-CB 4.32Å
543S84.3Confident90.5Very high82 Ų8251.1 Ų51.157%0.57327%0.268SS*.  trans-81.1-48178.253.10000112A472 K512 S541A472-S543 PolarHBondContact O-N 2.88Å; A472-S543 PolarHBondContact O-OG 3.36Å; K512-S543 PolarHBondContact NZ-O 3.01Å; K512-S543 VanDerWaalsContact NZ-O 3.17Å; S541-S543 PolarHBondContact O-N 2.59Å
544E85.3Confident89.8Confident84 Ų8448.4 Ų48.439%0.39327%0.265SS..SBendtrans-74160.1-175.3-62.5178.5127.600113.3L327 K512 L542 R546L327-E544 HydrophobicContact CD1-CB 4.02Å; K512-E544 WeakPolarHBondContact CE-O 3.37Å; K512-E544 PolarHBondContact NZ-O 2.81Å; K512-E544 VanDerWaalsContact NZ-O 3.16Å; L542-E544 WeakPolarHBondContact CG-O 3.23Å; E544-R546 HydrophobicContact CB-CG 4.09Å; E544-R546 PolarHBondContact O-N 3.12Å; E544-R546 IonicContact OE1-NH2 2.88Å; E544-R546 IonicContact OE2-CZ 3.32Å; E544-R546 IonicContact OE2-NE 3.81Å; E544-R546 PolarHBondContact OE2-NE 2.83Å; E544-R546 IonicContact OE2-NH2 2.71Å; E544-R546 PolarHBondContact OE2-NH2 2.7Å
545R90.3Very high88.3Confident108 Ų10851 Ų5141%0.40828%0.284SS..  trans-80.450.4177.3-165.5-161.5173.9-101.3-3.8111.8L327 D510 E511 K512L327-R545 VanDerWaalsContact CD1-C 3.45Å; L327-R545 HydrophobicContact CD1-CB 4.49Å; L327-R545 WeakPolarHBondContact CD1-O 3.2Å; D510-R545 PolarHBondContact O-NH2 3.48Å; E511-R545 IonicContact OE2-NH2 2.88Å; E511-R545 PolarHBondContact OE2-NH2 2.92Å; K512-R545 HydrophobicContact CB-CG 4.04Å
546R93.9Very high86.3Confident35 Ų3556.1 Ų56.113%0.13231%0.305CS..  trans-75.1130.2179.4-63.2-174.3-179.5-84.91.1110.8L327 Y396 G444 L445 K512 I513 L542 E544 D550L327-R546 HydrophobicContact CD1-CB 4.46Å; L327-R546 HydrophobicContact CD1-CG 3.65Å; Y396-R546 HydrophobicContact CE2-CB 4.42Å; Y396-R546 WeakPolarHBondContact OH-CD 3.27Å; Y396-R546 WeakPolarHBondContact OH-CG 3.34Å; Y396-R546 PolarHBondContact OH-NH1 2.88Å; G444-R546 WeakPolarHBondContact O-CD 3.42Å; G444-R546 PolarHBondContact O-NE 3.41Å; L445-R546 HydrophobicContact CD1-CB 4.24Å; L445-R546 HydrophobicContact CD2-CB 4.23Å; K512-R546 WeakPolarHBondContact CA-O 3.23Å; I513-R546 PolarHBondContact N-O 2.97Å; I513-R546 VanDerWaalsContact N-O 3.16Å; L542-R546 HydrophobicContact CD1-CB 4.22Å; L542-R546 HydrophobicContact CD1-CG 4.28Å; L542-R546 HydrophobicContact CD2-CB 4.32Å; E544-R546 HydrophobicContact CB-CG 4.09Å; E544-R546 PolarHBondContact O-N 3.12Å; E544-R546 IonicContact OE1-NH2 2.88Å; E544-R546 IonicContact OE2-CZ 3.32Å; E544-R546 IonicContact OE2-NE 3.81Å; E544-R546 PolarHBondContact OE2-NE 2.83Å; E544-R546 IonicContact OE2-NH2 2.71Å; E544-R546 PolarHBondContact OE2-NH2 2.7Å; R546-D550 WeakPolarHBondContact CA-OD2 3.26Å
547A95.6Very high84.4Confident0 Ų057.6 Ų57.60%032%0.316CS..  trans-119155.3178.600000110.2Y396 E511 T549 D550Y396-A547 WeakPolarHBondContact CE2-O 3.43Å; E511-A547 WeakPolarHBondContact O-CB 3.36Å; A547-T549 VanDerWaalsContact CB-OG1 3.24Å; A547-T549 WeakPolarHBondContact CB-OG1 3.4Å; A547-T549 PolarHBondContact O-N 2.83Å; A547-D550 PolarHBondContact N-OD1 3.39Å; A547-D550 PolarHBondContact N-OD2 3.06Å; A547-D550 WeakPolarHBondContact O-CB 3.26Å; A547-D550 PolarHBondContact O-N 2.93Å
548L96.3Very high82.5Confident6 Ų658.2 Ų58.23%0.03133%0.328CS..THydrogen-bonded Turntrans-69-21.8174.7-57.7-177.7000111.8K332 L365 F367 L398 L445 V447 L507 I513 D550K332-L548 PolarHBondContact NZ-O 2.85Å; L365-L548 HydrophobicContact CD1-CB 3.88Å; F367-L548 HydrophobicContact CE2-CB 4.25Å; F367-L548 HydrophobicContact CZ-CD2 4.02Å; L398-L548 HydrophobicContact CD1-CD1 4.28Å; L398-L548 HydrophobicContact CD1-CD2 4.24Å; L445-L548 HydrophobicContact CD2-CD2 4.32Å; V447-L548 HydrophobicContact CG2-CD2 4.29Å; L507-L548 HydrophobicContact CD1-CD1 3.59Å; L507-L548 HydrophobicContact CG-CD1 4.22Å; I513-L548 HydrophobicContact CD1-CD1 3.76Å; I513-L548 HydrophobicContact CD1-CD2 4.44Å; I513-L548 HydrophobicContact CD1-CG 3.95Å; I513-L548 HydrophobicContact CG1-CD2 4.48Å; I513-L548 HydrophobicContact CG1-CG 4.42Å; L548-D550 VanDerWaalsContact C-N 3.29Å
549T95.8Very high80.7Confident34 Ų3462.2 Ų62.221%0.20935%0.35CS..THydrogen-bonded Turntrans-75.9-8.6174.4470000113.9L365 D510 A547L365-T549 HydrophobicContact CD2-CG2 3.61Å; D510-T549 HydrophobicContact CB-CG2 4.3Å; D510-T549 WeakPolarHBondContact OD1-CB 3.49Å; D510-T549 PolarHBondContact OD1-OG1 3.02Å; A547-T549 VanDerWaalsContact CB-OG1 3.24Å; A547-T549 WeakPolarHBondContact CB-OG1 3.4Å; A547-T549 PolarHBondContact O-N 2.83Å
550D93.9Very high79.1Confident3 Ų362.1 Ų62.12%0.01636%0.356CS..PPolyproline II helixtrans-53.5132.2179.9-72.9-13.6000110.8L327 K332 Y396 R546 A547 L548L327-D550 WeakPolarHBondContact O-CB 3.34Å; K332-D550 PolarHBondContact NZ-O 3.5Å; Y396-D550 HydrophobicContact CE2-CB 3.77Å; Y396-D550 VanDerWaalsContact CE2-OD2 3.3Å; Y396-D550 WeakPolarHBondContact CE2-OD2 3.45Å; Y396-D550 PolarHBondContact OH-OD2 2.72Å; R546-D550 WeakPolarHBondContact CA-OD2 3.26Å; A547-D550 PolarHBondContact N-OD1 3.39Å; A547-D550 PolarHBondContact N-OD2 3.06Å; A547-D550 WeakPolarHBondContact O-CB 3.26Å; A547-D550 PolarHBondContact O-N 2.93Å; L548-D550 VanDerWaalsContact C-N 3.29Å
551P89.5Confident77.6Confident42 Ų4261 Ų6127%0.27335%0.347SS..PPolyproline II helixtrans-65.3154.4179.120.8-30.2000112.8Q326 L327 Y328 A329Q326-P551 HydrophobicContact CG-CG 3.58Å; L327-P551 WeakPolarHBondContact O-CD 3.19Å; Y328-P551 VanDerWaalsContact CA-O 3.31Å; Y328-P551 WeakPolarHBondContact CA-O 3.5Å; Y328-P551 HydrophobicContact CD1-CB 4.01Å; Y328-P551 HydrophobicContact CD1-CG 3.49Å; Y328-P551 VanDerWaalsContact CD1-CG 3.49Å; Y328-P551 HydrophobicContact CE1-CB 4.17Å; Y328-P551 HydrophobicContact CE1-CG 3.48Å; Y328-P551 VanDerWaalsContact CE1-CG 3.48Å; Y328-P551 HydrophobicContact CG-CG 4.44Å; A329-P551 PolarHBondContact N-O 2.92Å
552I87.3Confident76.3Confident59 Ų5963.7 Ų63.730%0.30335%0.353SS..BIsolated β-bridgetrans-89.3125.7176.8-60176.4000109.1A329 T330 K332 N366A329-I552 CarbonylContact O-C 3.58Å; A329-I552 VanDerWaalsContact O-CA 3.28Å; A329-I552 WeakPolarHBondContact O-CA 3.22Å; T330-I552 WeakPolarHBondContact O-CG2 3.27Å; K332-I552 HydrophobicContact CB-CD1 4.24Å; K332-I552 HydrophobicContact CD-CG1 4.28Å; K332-I552 HydrophobicContact CG-CD1 4.11Å; K332-I552 HydrophobicContact CG-CG1 3.98Å; N366-I552 HydrophobicContact CB-CD1 4.06Å; N366-I552 WeakPolarHBondContact O-CD1 3.5Å
553L81.3Confident75.1Confident102 Ų10265.7 Ų65.753%0.53437%0.372SS..  trans-121.7101.6172.1-161126.3000108.9Y328 A329Y328-L553 HydrophobicContact CD1-CB 3.89Å; Y328-L553 HydrophobicContact CD1-CD1 4.02Å; Y328-L553 HydrophobicContact CE1-CD1 4.17Å; Y328-L553 HydrophobicContact CG-CB 4.08Å; Y328-L553 HydrophobicContact CG-CD1 4.47Å; A329-L553 PolarHBondContact O-N 3Å
554P64.4Low74.5Confident78 Ų7863.1 Ų63.151%0.50635%0.35SS..  trans-60.4139.6-176-2131.4000111.7
555S56.1Low73.8Confident64 Ų6461.2 Ų61.245%0.44835%0.346SS..  trans-70.6151.7174.3173.50000111.3S557S555-S557 PolarHBondContact O-N 2.93Å
556D48Very low73Confident156 Ų15664.7 Ų64.783%0.83436%0.359SS*.SBendtrans-53.2-9.8179.2-61.6-35.6000116A558D556-A558 PolarHBondContact O-N 3.04Å
557S52.6Low72Confident50 Ų5065.4 Ų65.435%0.3536%0.364SS..  trans-88.578.7177.4-179.80000111.9S555 D559 L560 V561S555-S557 PolarHBondContact O-N 2.93Å; S557-D559 PolarHBondContact O-N 3.34Å; S557-D559 VanDerWaalsContact O-N 3.14Å; S557-L560 PolarHBondContact O-N 3.27Å; S557-V561 PolarHBondContact O-N 2.87Å
558A54.7Low71.1Confident52 Ų5267.4 Ų67.443%0.4337%0.372SS..Hα-helixtrans-49.1-40.2178.600000113.4D556 L560 V561 H562D556-A558 PolarHBondContact O-N 3.04Å; A558-L560 PolarHBondContact O-N 2.97Å; A558-V561 PolarHBondContact O-N 2.95Å; A558-H562 WeakPolarHBondContact O-CB 3.4Å; A558-H562 PolarHBondContact O-CD2 3.35Å; A558-H562 VanDerWaalsContact O-CG 3.29Å; A558-H562 PolarHBondContact O-N 2.96Å
559D57.6Low70.1Confident137 Ų13769.2 Ų69.273%0.73339%0.388SS*.Hα-helixtrans-64.3-38.3-176.1-66.5-28.5000114.1S557 A563S557-D559 PolarHBondContact O-N 3.34Å; S557-D559 VanDerWaalsContact O-N 3.14Å; D559-A563 WeakPolarHBondContact O-CB 3.2Å; D559-A563 PolarHBondContact O-N 3.19Å
560L60.6Low69.1Low92 Ų9271.3 Ų71.348%0.48239%0.394SS..Hα-helixtrans-71.5-42.8177.9-89.6160.1000111.2S557 A558 H562 A563 H564S557-L560 PolarHBondContact O-N 3.27Å; A558-L560 PolarHBondContact O-N 2.97Å; L560-H562 VanDerWaalsContact C-N 3.32Å; L560-H562 PolarHBondContact O-N 2.97Å; L560-A563 PolarHBondContact O-N 3.36Å; L560-H564 PolarHBondContact O-CD2 2.95Å; L560-H564 PolarHBondContact O-N 2.91Å
561V60.6Low68.1Low34 Ų3471.3 Ų71.321%0.20639%0.394CS..Hα-helixtrans-62.8-40.4177.1178.20000110.8S557 A558 S565S557-V561 PolarHBondContact O-N 2.87Å; A558-V561 PolarHBondContact O-N 2.95Å; V561-S565 VanDerWaalsContact O-CB 3.28Å; V561-S565 WeakPolarHBondContact O-CB 3.41Å; V561-S565 PolarHBondContact O-N 3.4Å; V561-S565 PolarHBondContact O-OG 3.26Å
562H63.8Low67.6Low109 Ų10969.9 Ų69.951%0.50538%0.384SS..Hα-helixtrans-67.3-41.1175.1-71.1-50.7000112.8A558 L560 R566A558-H562 WeakPolarHBondContact O-CB 3.4Å; A558-H562 PolarHBondContact O-CD2 3.35Å; A558-H562 VanDerWaalsContact O-CG 3.29Å; A558-H562 PolarHBondContact O-N 2.96Å; L560-H562 VanDerWaalsContact C-N 3.32Å; L560-H562 PolarHBondContact O-N 2.97Å; H562-R566 WeakPolarHBondContact O-CB 3.4Å; H562-R566 VanDerWaalsContact O-CG 3.24Å; H562-R566 WeakPolarHBondContact O-CG 3.47Å; H562-R566 PolarHBondContact O-N 2.92Å
563A65.9Low67.3Low53 Ų5372.2 Ų72.244%0.43839%0.394SS..Hα-helixtrans-63.5-44.6177.400000112.2D559 L560 R566 Q567D559-A563 WeakPolarHBondContact O-CB 3.2Å; D559-A563 PolarHBondContact O-N 3.19Å; L560-A563 PolarHBondContact O-N 3.36Å; A563-R566 PolarHBondContact O-N 3.1Å; A563-Q567 PolarHBondContact O-N 2.8Å
564H70.3Confident67.6Low28 Ų2868.6 Ų68.613%0.1337%0.374CS..Hα-helixtrans-71.9-37.6-178.9-64.8-176.2000112.1L390 H392 L560 R566 Q567 W568L390-H564 HydrophobicContact CD2-CB 4.16Å; H392-H564 AromaticContact CD2-CE1 3.58Å; H392-H564 AromaticContact CD2-ND1 3.45Å; H392-H564 PolarHBondContact CD2-ND1 3.07Å; L560-H564 PolarHBondContact O-CD2 2.95Å; L560-H564 PolarHBondContact O-N 2.91Å; H564-R566 VanDerWaalsContact C-N 3.31Å; H564-R566 PolarHBondContact O-N 3.39Å; H564-Q567 PolarHBondContact O-N 2.97Å; H564-W568 WeakPolarHBondContact O-CB 3.37Å; H564-W568 PolarHBondContact O-N 3.35Å
565S70.9Confident68.7Low44 Ų4465.7 Ų65.731%0.30836%0.356SS..Hα-helixtrans-67.1-32.9174.2-55.70000111.9K368 V561 W568 A569K368-S565 PolarHBondContact NZ-OG 3.42Å; K368-S565 VanDerWaalsContact NZ-OG 3.1Å; V561-S565 VanDerWaalsContact O-CB 3.28Å; V561-S565 WeakPolarHBondContact O-CB 3.41Å; V561-S565 PolarHBondContact O-N 3.4Å; V561-S565 PolarHBondContact O-OG 3.26Å; S565-W568 WeakPolarHBondContact O-CB 3.41Å; S565-A569 VanDerWaalsContact O-CB 3.31Å; S565-A569 WeakPolarHBondContact O-CB 3.33Å; S565-A569 PolarHBondContact O-N 3.32Å
566R73.3Confident70.2Confident181 Ų18171 Ų7168%0.68337%0.373SS*.Hα-helixtrans-68.6-41.8170.5-75.7174.7-175-178.13.5112.4H562 A563 H564 W568 A569 K570H562-R566 WeakPolarHBondContact O-CB 3.4Å; H562-R566 VanDerWaalsContact O-CG 3.24Å; H562-R566 WeakPolarHBondContact O-CG 3.47Å; H562-R566 PolarHBondContact O-N 2.92Å; A563-R566 PolarHBondContact O-N 3.1Å; H564-R566 VanDerWaalsContact C-N 3.31Å; H564-R566 PolarHBondContact O-N 3.39Å; R566-W568 VanDerWaalsContact C-N 3.31Å; R566-A569 PolarHBondContact O-N 3.44Å; R566-K570 WeakPolarHBondContact O-CG 3.48Å; R566-K570 PolarHBondContact O-N 3.23Å; R566-K570 VanDerWaalsContact O-N 3.07Å
567Q72.7Confident72.2Confident49 Ų4965.1 Ų65.123%0.22934%0.344CS..Hα-helixtrans-63.5-41.1176.4-168.771.2-1.800111.1E386 L390 A563 H564 K570E386-Q567 PolarHBondContact OE2-NE2 3.41Å; L390-Q567 HydrophobicContact CD2-CB 4.11Å; L390-Q567 HydrophobicContact CD2-CG 4.29Å; A563-Q567 PolarHBondContact O-N 2.8Å; H564-Q567 PolarHBondContact O-N 2.97Å; Q567-K570 PolarHBondContact O-N 3.25Å
568W77.5Confident74Confident42 Ų4265.1 Ų65.116%0.15934%0.339CS..Hα-helixtrans-57.7-52.3171.6179.1-105.4000112.8K368 V369 V370 L390 H564 S565 R566 K570 A571 H572K368-W568 VanDerWaalsContact C-CZ2 3.5Å; K368-W568 HydrophobicContact CB-CD2 3.52Å; K368-W568 HydrophobicContact CB-CE3 3.69Å; K368-W568 HydrophobicContact CB-CG 4.08Å; K368-W568 HydrophobicContact CB-CH2 4.32Å; K368-W568 HydrophobicContact CB-CZ2 4.09Å; K368-W568 HydrophobicContact CB-CZ3 4.04Å; K368-W568 HydrophobicContact CD-CB 4.3Å; K368-W568 HydrophobicContact CD-CD2 4.25Å; K368-W568 HydrophobicContact CD-CG 3.95Å; K368-W568 HydrophobicContact CG-CD2 3.93Å; K368-W568 HydrophobicContact CG-CG 3.97Å; V369-W568 WeakPolarHBondContact O-CH2 3.36Å; V369-W568 WeakPolarHBondContact O-CZ2 3.28Å; V370-W568 HydrophobicContact CB-CH2 4.33Å; V370-W568 HydrophobicContact CB-CZ3 4.34Å; V370-W568 HydrophobicContact CG2-CE3 4.37Å; V370-W568 HydrophobicContact CG2-CH2 3.68Å; V370-W568 HydrophobicContact CG2-CZ3 3.28Å; L390-W568 HydrophobicContact CD1-CE3 3.91Å; L390-W568 HydrophobicContact CD1-CZ3 4.36Å; H564-W568 WeakPolarHBondContact O-CB 3.37Å; H564-W568 PolarHBondContact O-N 3.35Å; S565-W568 WeakPolarHBondContact O-CB 3.41Å; R566-W568 VanDerWaalsContact C-N 3.31Å; W568-K570 VanDerWaalsContact C-N 3.27Å; W568-K570 PolarHBondContact O-N 3.27Å; W568-A571 PolarHBondContact O-N 3.15Å; W568-A571 VanDerWaalsContact O-N 3.09Å; W568-H572 AromaticContact CE2-CE1 3.97Å; W568-H572 AromaticContact CE2-ND1 3.62Å; W568-H572 AromaticContact CH2-CE1 2.92Å; W568-H572 WeakPolarHBondContact CH2-CE1 3.36Å; W568-H572 AromaticContact CH2-ND1 3.43Å; W568-H572 WeakPolarHBondContact CH2-ND1 3.31Å; W568-H572 AromaticContact CH2-NE2 3.52Å; W568-H572 AromaticContact CZ2-CD2 3.9Å; W568-H572 AromaticContact CZ2-CE1 3.15Å; W568-H572 WeakPolarHBondContact CZ2-CE1 3.42Å; W568-H572 AromaticContact CZ2-CG 3.75Å; W568-H572 AromaticContact CZ2-ND1 3.23Å; W568-H572 WeakPolarHBondContact CZ2-ND1 3.36Å; W568-H572 AromaticContact CZ2-NE2 3.53Å; W568-H572 AromaticContact CZ3-CE1 3.76Å; W568-H572 PolarHBondContact O-ND1 3.42Å
569A75.5Confident75.7Confident45 Ų4565.7 Ų65.737%0.37234%0.341SS..Hα-helixtrans-58.3-39.4-17900000111.9S565 R566 A571 H572 E573S565-A569 VanDerWaalsContact O-CB 3.31Å; S565-A569 WeakPolarHBondContact O-CB 3.33Å; S565-A569 PolarHBondContact O-N 3.32Å; R566-A569 PolarHBondContact O-N 3.44Å; A569-A571 PolarHBondContact O-N 3.39Å; A569-A571 VanDerWaalsContact O-N 3.11Å; A569-H572 PolarHBondContact O-N 3.29Å; A569-H572 VanDerWaalsContact O-N 3.08Å; A569-E573 WeakPolarHBondContact O-CB 3.3Å; A569-E573 PolarHBondContact O-N 2.84Å
570K73.8Confident77.4Confident78 Ų7860.1 Ų60.134%0.33931%0.311SS..Hα-helixtrans-56.3-30.2177.4-74.8174-171.7173.30113.9R566 Q567 W568 R704 L705R566-K570 WeakPolarHBondContact O-CG 3.48Å; R566-K570 PolarHBondContact O-N 3.23Å; R566-K570 VanDerWaalsContact O-N 3.07Å; Q567-K570 PolarHBondContact O-N 3.25Å; W568-K570 VanDerWaalsContact C-N 3.27Å; W568-K570 PolarHBondContact O-N 3.27Å; K570-R704 HydrophobicContact CB-CG 4.26Å; K570-R704 WeakPolarHBondContact O-CB 3.28Å; K570-R704 WeakPolarHBondContact O-CD 3.23Å; K570-L705 HydrophobicContact CB-CD2 4.3Å
571A74.3Confident79Confident2 Ų260.3 Ų60.32%0.01731%0.312CS..THydrogen-bonded Turntrans-87.5-9.7-177.200000114W568 A569 L701 I702 L705W568-A571 PolarHBondContact O-N 3.15Å; W568-A571 VanDerWaalsContact O-N 3.09Å; A569-A571 PolarHBondContact O-N 3.39Å; A569-A571 VanDerWaalsContact O-N 3.11Å; A571-L701 CarbonylContact O-C 3.56Å; A571-L701 VanDerWaalsContact O-C 3.28Å; A571-L701 WeakPolarHBondContact O-CA 3.15Å; A571-I702 HydrophobicContact CB-CD1 4.06Å; A571-I702 PolarHBondContact O-N 3.47Å; A571-L705 HydrophobicContact CB-CD1 3.95Å; A571-L705 HydrophobicContact CB-CG 4.24Å
572H78.2Confident80.5Confident13 Ų1359.1 Ų59.16%0.0630%0.304CS..THydrogen-bonded Turntrans-124.5-11.8-173.5-68.874000113.3V369 W568 A569 L574 S597 L701 E807V369-H572 PolarHBondContact O-NE2 3.14Å; W568-H572 AromaticContact CE2-CE1 3.97Å; W568-H572 AromaticContact CE2-ND1 3.62Å; W568-H572 AromaticContact CH2-CE1 2.92Å; W568-H572 WeakPolarHBondContact CH2-CE1 3.36Å; W568-H572 AromaticContact CH2-ND1 3.43Å; W568-H572 WeakPolarHBondContact CH2-ND1 3.31Å; W568-H572 AromaticContact CH2-NE2 3.52Å; W568-H572 AromaticContact CZ2-CD2 3.9Å; W568-H572 AromaticContact CZ2-CE1 3.15Å; W568-H572 WeakPolarHBondContact CZ2-CE1 3.42Å; W568-H572 AromaticContact CZ2-CG 3.75Å; W568-H572 AromaticContact CZ2-ND1 3.23Å; W568-H572 WeakPolarHBondContact CZ2-ND1 3.36Å; W568-H572 AromaticContact CZ2-NE2 3.53Å; W568-H572 AromaticContact CZ3-CE1 3.76Å; W568-H572 PolarHBondContact O-ND1 3.42Å; A569-H572 PolarHBondContact O-N 3.29Å; A569-H572 VanDerWaalsContact O-N 3.08Å; H572-L574 PolarHBondContact O-N 2.75Å; H572-S597 PolarHBondContact NE2-OG 2.61Å; H572-L701 WeakPolarHBondContact O-CD2 3.39Å; H572-E807 VanDerWaalsContact O-OE2 3.09Å
573E81.6Confident81.7Confident108 Ų10861.3 Ų61.351%0.50532%0.32SS..  trans-61.2113.4178.2-166.1174.5169.200111A569 L701 R704A569-E573 WeakPolarHBondContact O-CB 3.3Å; A569-E573 PolarHBondContact O-N 2.84Å; E573-L701 PolarHBondContact O-N 3.11Å; E573-R704 IonicContact OE1-NH1 3.53Å; E573-R704 IonicContact OE2-CZ 2.84Å; E573-R704 IonicContact OE2-NH1 3.29Å; E573-R704 PolarHBondContact OE2-NH1 2.85Å; E573-R704 IonicContact OE2-NH2 2.75Å
574L86.8Confident82.7Confident25 Ų2560 Ų6013%0.13131%0.307CS..PPolyproline II helixtrans-79.5147.5171.2-83.3171.9000111H572 F592 A594 L600 L701 E807H572-L574 PolarHBondContact O-N 2.75Å; L574-F592 HydrophobicContact CD2-CB 4.39Å; L574-A594 HydrophobicContact CD1-CB 4.21Å; L574-A594 HydrophobicContact CD2-CB 3.98Å; L574-A594 HydrophobicContact CG-CB 4.31Å; L574-L600 HydrophobicContact CD2-CD1 3.58Å; L574-L701 HydrophobicContact CD2-CD1 4.38Å; L574-L701 HydrophobicContact CD2-CD2 3.87Å; L574-L701 HydrophobicContact CD2-CG 4.31Å; L574-L701 HydrophobicContact CG-CD2 4.07Å; L574-E807 VanDerWaalsContact CD1-C 3.49Å; L574-E807 HydrophobicContact CD1-CB 3.56Å; L574-E807 WeakPolarHBondContact CD1-O 3.11Å
575P88.5Confident83.6Confident18 Ų1860.5 Ų60.512%0.11732%0.32CS..PPolyproline II helixtrans-61.7145.1168.8-15.628.8000110.9F592 I697 P700 T809P575-F592 HydrophobicContact CB-CD1 4.47Å; P575-F592 HydrophobicContact CB-CD2 3.75Å; P575-F592 HydrophobicContact CB-CE2 3.89Å; P575-F592 HydrophobicContact CB-CG 4.06Å; P575-F592 HydrophobicContact CB-CZ 4.32Å; P575-F592 HydrophobicContact CG-CD1 4.25Å; P575-F592 HydrophobicContact CG-CD2 4.34Å; P575-F592 HydrophobicContact CG-CG 4.13Å; P575-F592 WeakPolarHBondContact O-CD2 3.46Å; P575-I697 HydrophobicContact CB-CB 4.08Å; P575-I697 HydrophobicContact CB-CG2 4.2Å; P575-I697 HydrophobicContact CG-CB 4.06Å; P575-I697 HydrophobicContact CG-CD1 3.83Å; P575-I697 HydrophobicContact CG-CG1 4.43Å; P575-P700 HydrophobicContact CG-CB 4.07Å; P575-T809 WeakPolarHBondContact O-CG2 3.35Å
576E87.8Confident84.5Confident175 Ų17558.5 Ų58.582%0.81831%0.306SS*.PPolyproline II helixtrans-66.5143.9171.9-66.7-176.1173.300110.9F592E576-F592 WeakPolarHBondContact O-CE2 3.43Å
577S89.4Confident85.5Confident32 Ų3252.3 Ų52.322%0.22429%0.285CS..PPolyproline II helixtrans-57.7145.5170.2-74.10000111.2L590 T809 D811S577-L590 WeakPolarHBondContact CA-O 3.48Å; S577-T809 WeakPolarHBondContact OG-CB 3.11Å; S577-T809 PolarHBondContact OG-OG1 2.77Å; S577-D811 WeakPolarHBondContact CB-OD2 3.37Å; S577-D811 PolarHBondContact OG-OD2 3.09Å
578M89.9Confident86.5Confident50 Ų5050 Ų5025%0.24627%0.274CS..EExtended strand (participates in β ladder)trans-131.4142.2-177.657.8-167.9-75.100112.1L580 K589 L590 F592 V695M578-L580 HydrophobicContact CE-CD1 4.35Å; M578-L580 HydrophobicContact CE-CD2 3.48Å; M578-L580 VanDerWaalsContact CE-CD2 3.48Å; M578-L580 HydrophobicContact CE-CG 4.07Å; M578-K589 WeakPolarHBondContact O-CA 3.46Å; M578-L590 HydrophobicContact CE-CD2 4.26Å; M578-L590 HydrophobicContact CG-CB 3.69Å; M578-L590 HydrophobicContact CG-CD2 3.72Å; M578-L590 HydrophobicContact CG-CG 4.02Å; M578-L590 PolarHBondContact N-O 3.45Å; M578-L590 PolarHBondContact O-N 3.47Å; M578-L590 HydrophobicContact SD-CD2 3.57Å; M578-L590 VanDerWaalsContact SD-CD2 3.57Å; M578-L590 HydrophobicContact SD-CG 4.42Å; M578-F592 HydrophobicContact CG-CE2 4.45Å; M578-F592 HydrophobicContact SD-CE2 4.45Å; M578-F592 HydrophobicContact SD-CZ 4.34Å; M578-V695 HydrophobicContact CE-CB 4.17Å; M578-V695 HydrophobicContact CE-CG1 3.54Å; M578-V695 HydrophobicContact CE-CG2 3.61Å; M578-V695 HydrophobicContact SD-CG1 3.51Å; M578-V695 VanDerWaalsContact SD-CG1 3.51Å; M578-V695 HydrophobicContact SD-CG2 4.49Å
579S91.4Very high87.1Confident65 Ų6549.1 Ų49.146%0.45527%0.271SS..EExtended strand (participates in β ladder)trans-108.3115.1174.9-69.10000110I588S579-I588 CarbonylContact C-O 3.56Å
580L92.9Very high88Confident19 Ų1947 Ų4710%0.09925%0.253CS..EExtended strand (participates in β ladder)trans-97.5113-177.6-65.3177.5000110.4M578 F582 Q587 I588 L590 V674 K693 V695M578-L580 HydrophobicContact CE-CD1 4.35Å; M578-L580 HydrophobicContact CE-CD2 3.48Å; M578-L580 VanDerWaalsContact CE-CD2 3.48Å; M578-L580 HydrophobicContact CE-CG 4.07Å; L580-F582 HydrophobicContact CB-CD2 4.48Å; L580-F582 HydrophobicContact CB-CE2 3.83Å; L580-Q587 WeakPolarHBondContact O-CA 3.45Å; L580-I588 HydrophobicContact CB-CB 4.47Å; L580-I588 PolarHBondContact N-O 2.94Å; L580-I588 PolarHBondContact O-N 2.91Å; L580-L590 HydrophobicContact CD1-CD2 4.5Å; L580-V674 HydrophobicContact CD1-CB 3.89Å; L580-V674 HydrophobicContact CD1-CG1 4.06Å; L580-V674 HydrophobicContact CD1-CG2 3.64Å; L580-K693 HydrophobicContact CD2-CD 4.37Å; L580-V695 HydrophobicContact CD1-CG2 3.96Å; L580-V695 HydrophobicContact CD2-CG2 4.44Å
581N93.6Very high88.8Confident96 Ų9643.2 Ų43.251%0.51324%0.237SC..EExtended strand (participates in β ladder)trans-89.3127.5173.1-61.5-40.6000110.2Q587 K693N581-Q587 WeakPolarHBondContact OD1-CG 3.47Å; N581-Q587 PolarHBondContact OD1-NE2 3.07Å; N581-K693 WeakPolarHBondContact O-CE 3.44Å; N581-K693 PolarHBondContact O-NZ 2.89Å
582F93Very high89.7Confident9 Ų943.1 Ų43.14%0.03924%0.237CC..  trans-102.3152.9177-74.6-100.2000111.1L580 C584 G585 A586 I588 V674 L676 W691 K693L580-F582 HydrophobicContact CB-CD2 4.48Å; L580-F582 HydrophobicContact CB-CE2 3.83Å; F582-C584 PolarHBondContact O-N 3.38Å; F582-C584 VanDerWaalsContact O-N 3.14Å; F582-G585 PolarHBondContact O-N 2.9Å; F582-A586 PolarHBondContact N-O 3.08Å; F582-I588 HydrophobicContact CD2-CD1 3.76Å; F582-I588 HydrophobicContact CD2-CG1 4.29Å; F582-I588 HydrophobicContact CE2-CB 4.3Å; F582-I588 HydrophobicContact CE2-CD1 3.2Å; F582-I588 HydrophobicContact CE2-CG1 3.99Å; F582-I588 HydrophobicContact CZ-CD1 3.76Å; F582-V674 HydrophobicContact CZ-CG1 4.18Å; F582-L676 HydrophobicContact CB-CD2 3.97Å; F582-L676 HydrophobicContact CD1-CB 4.07Å; F582-L676 HydrophobicContact CD1-CD2 4.03Å; F582-L676 HydrophobicContact CD2-CD2 4.14Å; F582-L676 HydrophobicContact CE1-CB 3.83Å; F582-L676 HydrophobicContact CG-CB 4.49Å; F582-L676 HydrophobicContact CG-CD2 3.77Å; F582-L676 HydrophobicContact CZ-CB 4.11Å; F582-W691 HydrophobicContact CD1-CB 3.5Å; F582-W691 HydrophobicContact CD1-CG 4.32Å; F582-W691 HydrophobicContact CE1-CB 3.9Å; F582-K693 HydrophobicContact CD1-CG 4.4Å; F582-K693 HydrophobicContact CE1-CB 4.32Å; F582-K693 HydrophobicContact CE1-CD 4.29Å; F582-K693 HydrophobicContact CE1-CG 3.85Å; F582-K693 HydrophobicContact CE2-CD 4.39Å; F582-K693 HydrophobicContact CZ-CB 4.17Å; F582-K693 HydrophobicContact CZ-CD 4.2Å; F582-K693 HydrophobicContact CZ-CG 4.02Å
583D88.9Confident90.2Very high156 Ų15642.6 Ų42.683%0.83423%0.234SC*.THydrogen-bonded Turntrans-62.5-23.8-176.3-60.9-27.2000112.7G585D583-G585 PolarHBondContact O-N 2.98Å
584C87.2Confident90.6Very high24 Ų2438.3 Ų38.316%0.16222%0.218CC..THydrogen-bonded Turntrans-72.6-0.3172.265.20000114F582 A586 P610 M613 W691F582-C584 PolarHBondContact O-N 3.38Å; F582-C584 VanDerWaalsContact O-N 3.14Å; C584-A586 VanDerWaalsContact C-N 3.33Å; C584-P610 WeakPolarHBondContact O-CG 3.44Å; C584-M613 HydrophobicContact CB-CE 4.35Å; C584-W691 HydrophobicContact CB-CD2 4.28Å; C584-W691 HydrophobicContact CB-CH2 3.91Å; C584-W691 HydrophobicContact CB-CZ2 3.47Å; C584-W691 VanDerWaalsContact CB-CZ2 3.47Å; C584-W691 HydrophobicContact CB-CZ3 4.47Å
585G88.1Confident90.7Very high40 Ų4037.5 Ų37.541%0.41221%0.213SC..SBendtrans85.10.8-178.900000114.9F582 D583F582-G585 PolarHBondContact O-N 2.9Å; D583-G585 PolarHBondContact O-N 2.98Å
586A91.1Very high90.9Very high1 Ų136.8 Ų36.81%0.00821%0.208CC..  trans-75.9147.417300000111.5F582 C584 K608 P610 L676F582-A586 PolarHBondContact N-O 3.08Å; C584-A586 VanDerWaalsContact C-N 3.33Å; A586-K608 CarbonylContact C-O 3.48Å; A586-K608 VanDerWaalsContact CA-O 3.23Å; A586-K608 WeakPolarHBondContact CA-O 3.33Å; A586-P610 HydrophobicContact CB-CG 4.47Å; A586-L676 HydrophobicContact CB-CD2 3.64Å
587Q93.1Very high91.2Very high52 Ų5228.6 Ų28.624%0.24317%0.17CC..EExtended strand (participates in β ladder)trans-126.1127.7175.9-171.8176.73000110L580 N581 V607 K608L580-Q587 WeakPolarHBondContact O-CA 3.45Å; N581-Q587 WeakPolarHBondContact OD1-CG 3.47Å; N581-Q587 PolarHBondContact OD1-NE2 3.07Å; Q587-V607 HydrophobicContact CB-CB 4.44Å; Q587-V607 HydrophobicContact CG-CB 4.37Å; Q587-V607 PolarHBondContact O-N 3.29Å; Q587-K608 HydrophobicContact CB-CB 3.71Å; Q587-K608 PolarHBondContact N-O 3.35Å; Q587-K608 PolarHBondContact O-N 3.46Å; Q587-K608 VanDerWaalsContact O-N 3.13Å
588I93.1Very high91.4Very high0 Ų027.1 Ų27.10%016%0.16CC..EExtended strand (participates in β ladder)trans-117.7125.9-179.4-59.1164.1000108.3S579 L580 F582 T604 H605 I606 A618 V674 L676S579-I588 CarbonylContact C-O 3.56Å; L580-I588 HydrophobicContact CB-CB 4.47Å; L580-I588 PolarHBondContact N-O 2.94Å; L580-I588 PolarHBondContact O-N 2.91Å; F582-I588 HydrophobicContact CD2-CD1 3.76Å; F582-I588 HydrophobicContact CD2-CG1 4.29Å; F582-I588 HydrophobicContact CE2-CB 4.3Å; F582-I588 HydrophobicContact CE2-CD1 3.2Å; F582-I588 HydrophobicContact CE2-CG1 3.99Å; F582-I588 HydrophobicContact CZ-CD1 3.76Å; I588-T604 HydrophobicContact CG2-CG2 4.48Å; I588-H605 CarbonylContact C-O 3.54Å; I588-H605 WeakPolarHBondContact CA-O 3.27Å; I588-I606 HydrophobicContact CG1-CG1 4.45Å; I588-A618 HydrophobicContact CD1-CB 3.56Å; I588-A618 HydrophobicContact CG1-CB 4.05Å; I588-A618 HydrophobicContact CG2-CB 4.01Å; I588-V674 HydrophobicContact CD1-CG1 4.28Å; I588-L676 HydrophobicContact CD1-CB 3.99Å; I588-L676 HydrophobicContact CD1-CD1 3.68Å; I588-L676 HydrophobicContact CD1-CD2 4.3Å; I588-L676 HydrophobicContact CD1-CG 4.19Å; I588-L676 HydrophobicContact CG1-CD1 4.45Å
589K91.4Very high91.5Very high23 Ų2324.9 Ų24.910%0.115%0.149CC..EExtended strand (participates in β ladder)trans-91.4130.1170-169.8165.5-171.7170.20108.5M578 T604 H605 V607 D811 E814 L815M578-K589 WeakPolarHBondContact O-CA 3.46Å; K589-T604 WeakPolarHBondContact O-CA 3.31Å; K589-H605 PolarHBondContact N-O 3.45Å; K589-H605 PolarHBondContact O-N 3.03Å; K589-V607 HydrophobicContact CB-CG2 3.47Å; K589-V607 VanDerWaalsContact CB-CG2 3.47Å; K589-V607 HydrophobicContact CD-CG2 4.42Å; K589-D811 WeakPolarHBondContact CE-OD1 3.32Å; K589-D811 WeakPolarHBondContact CE-OD2 3.42Å; K589-D811 IonicContact NZ-OD1 3.58Å; K589-D811 PolarHBondContact NZ-OD1 2.88Å; K589-D811 IonicContact NZ-OD2 2.75Å; K589-D811 PolarHBondContact NZ-OD2 2.76Å; K589-E814 IonicContact NZ-OE2 3.14Å; K589-L815 HydrophobicContact CD-CD1 4.5Å; K589-L815 HydrophobicContact CD-CD2 4.26Å
590L93.6Very high91.6Very high0 Ų021.8 Ų21.80%013%0.127CC..EExtended strand (participates in β ladder)trans-116.8119.6179.2176.668.6000106.8S577 M578 L580 F592 I602 Y603 T604 V620 F672 V674 V695S577-L590 WeakPolarHBondContact CA-O 3.48Å; M578-L590 HydrophobicContact CE-CD2 4.26Å; M578-L590 HydrophobicContact CG-CB 3.69Å; M578-L590 HydrophobicContact CG-CD2 3.72Å; M578-L590 HydrophobicContact CG-CG 4.02Å; M578-L590 PolarHBondContact N-O 3.45Å; M578-L590 PolarHBondContact O-N 3.47Å; M578-L590 HydrophobicContact SD-CD2 3.57Å; M578-L590 VanDerWaalsContact SD-CD2 3.57Å; M578-L590 HydrophobicContact SD-CG 4.42Å; L580-L590 HydrophobicContact CD1-CD2 4.5Å; L590-F592 HydrophobicContact CD2-CZ 3.96Å; L590-F592 HydrophobicContact CG-CE1 4.44Å; L590-F592 HydrophobicContact CG-CE2 4.37Å; L590-F592 HydrophobicContact CG-CZ 3.87Å; L590-I602 HydrophobicContact CD1-CG2 3.37Å; L590-I602 HydrophobicContact CG-CG2 4.49Å; L590-Y603 WeakPolarHBondContact CA-O 3.37Å; L590-T604 HydrophobicContact CD1-CG2 3.56Å; L590-V620 HydrophobicContact CD1-CG1 4.46Å; L590-F672 HydrophobicContact CD1-CE2 4.42Å; L590-F672 HydrophobicContact CD2-CE2 3.93Å; L590-F672 HydrophobicContact CD2-CZ 3.8Å; L590-V674 HydrophobicContact CD2-CG2 4.17Å; L590-V695 HydrophobicContact CD2-CG1 4.05Å; L590-V695 HydrophobicContact CD2-CG2 4.27Å
591G91.3Very high91.7Very high0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-123.3164.8-177.600000112.5Y603G591-Y603 VanDerWaalsContact C-CE1 3.41Å; G591-Y603 PolarHBondContact N-O 3.14Å; G591-Y603 PolarHBondContact O-N 3.01Å
592F92.4Very high91.7Very high0 Ų016.3 Ų16.30%010%0.098CC..EExtended strand (participates in β ladder)trans-134.4139.4-170.3-56.4-78.6000110.9L574 P575 E576 M578 L590 L600 V601 I602 F672 I697 T809L574-F592 HydrophobicContact CD2-CB 4.39Å; P575-F592 HydrophobicContact CB-CD1 4.47Å; P575-F592 HydrophobicContact CB-CD2 3.75Å; P575-F592 HydrophobicContact CB-CE2 3.89Å; P575-F592 HydrophobicContact CB-CG 4.06Å; P575-F592 HydrophobicContact CB-CZ 4.32Å; P575-F592 HydrophobicContact CG-CD1 4.25Å; P575-F592 HydrophobicContact CG-CD2 4.34Å; P575-F592 HydrophobicContact CG-CG 4.13Å; P575-F592 WeakPolarHBondContact O-CD2 3.46Å; E576-F592 WeakPolarHBondContact O-CE2 3.43Å; M578-F592 HydrophobicContact CG-CE2 4.45Å; M578-F592 HydrophobicContact SD-CE2 4.45Å; M578-F592 HydrophobicContact SD-CZ 4.34Å; L590-F592 HydrophobicContact CD2-CZ 3.96Å; L590-F592 HydrophobicContact CG-CE1 4.44Å; L590-F592 HydrophobicContact CG-CE2 4.37Å; L590-F592 HydrophobicContact CG-CZ 3.87Å; F592-L600 HydrophobicContact CB-CD1 4.21Å; F592-L600 HydrophobicContact CD1-CD1 4.41Å; F592-L600 HydrophobicContact CD1-CD2 4.31Å; F592-V601 WeakPolarHBondContact CA-O 3.42Å; F592-I602 HydrophobicContact CD1-CG1 4.04Å; F592-I602 HydrophobicContact CE1-CD1 4.32Å; F592-I602 HydrophobicContact CE1-CG1 4.05Å; F592-I602 HydrophobicContact CE1-CG2 4.43Å; F592-F672 HydrophobicContact CE1-CZ 4.37Å; F592-I697 HydrophobicContact CD1-CD1 4.37Å; F592-I697 HydrophobicContact CE1-CD1 3.81Å; F592-I697 HydrophobicContact CE1-CG2 4.25Å; F592-I697 HydrophobicContact CE2-CG2 4.42Å; F592-I697 HydrophobicContact CZ-CD1 4.38Å; F592-I697 HydrophobicContact CZ-CG2 3.73Å; F592-T809 HydrophobicContact CB-CG2 4.34Å; F592-T809 PolarHBondContact O-N 3.28Å; F592-T809 PolarHBondContact O-OG1 3.28Å
593A90Very high91.7Very high2 Ų216 Ų162%0.01710%0.097CC..EExtended strand (participates in β ladder)trans-139.5146.3172.500000110.7V601 L647 L651 A808A593-V601 HydrophobicContact CB-CB 4.29Å; A593-V601 PolarHBondContact N-O 2.98Å; A593-V601 PolarHBondContact O-N 2.95Å; A593-L647 HydrophobicContact CB-CD1 4.37Å; A593-L651 HydrophobicContact CB-CD2 3.75Å; A593-A808 HydrophobicContact CB-CB 4.26Å
594A89.9Confident91.9Very high18 Ų189 Ų915%0.1496%0.059CC..EExtended strand (participates in β ladder)trans-100.8123.1176.500000111.1L574 L701 E807L574-A594 HydrophobicContact CD1-CB 4.21Å; L574-A594 HydrophobicContact CD2-CB 3.98Å; L574-A594 HydrophobicContact CG-CB 4.31Å; A594-L701 HydrophobicContact CB-CD1 3.93Å; A594-L701 HydrophobicContact CB-CD2 4.17Å; A594-E807 PolarHBondContact N-O 3.1Å
595E89.1Confident92.1Very high7 Ų710 Ų103%0.0336%0.062CC..EExtended strand (participates in β ladder)trans-86.3-43.9169.7-164.2-179.1-151.600110.4V599 L646 L647 R659E595-V599 HydrophobicContact CB-CB 4.2Å; E595-V599 HydrophobicContact CB-CG1 3.96Å; E595-V599 PolarHBondContact N-O 3.18Å; E595-L646 HydrophobicContact CG-CB 4.48Å; E595-L646 HydrophobicContact CG-CD1 4.39Å; E595-L647 HydrophobicContact CB-CD1 3.82Å; E595-L647 HydrophobicContact CB-CG 4.4Å; E595-L647 HydrophobicContact CG-CD1 4.15Å; E595-L647 HydrophobicContact CG-CG 4.19Å; E595-R659 IonicContact OE2-CZ 2.63Å; E595-R659 VanDerWaalsContact OE2-CZ 3.31Å; E595-R659 IonicContact OE2-NE 2.77Å; E595-R659 PolarHBondContact OE2-NE 2.83Å; E595-R659 IonicContact OE2-NH2 3.75Å; E595-R659 PolarHBondContact OE2-NH2 3.03Å
596F92.1Very high92.2Very high4 Ų410.6 Ų10.62%0.0185%0.054CC..EExtended strand (participates in β ladder)trans-140.6167.2174.5-60.4-86.5000108.9M352 V355 L373 N598 V599 L646M352-F596 HydrophobicContact CG-CE2 4.05Å; M352-F596 HydrophobicContact CG-CZ 3.84Å; M352-F596 WeakPolarHBondContact O-CZ 3.4Å; V355-F596 HydrophobicContact CB-CE1 4.12Å; V355-F596 HydrophobicContact CG1-CD1 3.94Å; V355-F596 HydrophobicContact CG1-CE1 3.74Å; L373-F596 HydrophobicContact CD1-CD1 4.34Å; L373-F596 HydrophobicContact CD1-CD2 3.53Å; L373-F596 HydrophobicContact CD1-CE1 4.2Å; L373-F596 HydrophobicContact CD1-CE2 3.36Å; L373-F596 HydrophobicContact CD1-CG 4.04Å; L373-F596 HydrophobicContact CD1-CZ 3.73Å; L373-F596 HydrophobicContact CD2-CD1 4.31Å; L373-F596 HydrophobicContact CD2-CE1 4.12Å; L373-F596 HydrophobicContact CD2-CZ 4.32Å; L373-F596 HydrophobicContact CG-CD1 4.06Å; L373-F596 HydrophobicContact CG-CD2 3.99Å; L373-F596 HydrophobicContact CG-CE1 4.19Å; L373-F596 HydrophobicContact CG-CE2 4.12Å; L373-F596 HydrophobicContact CG-CG 3.97Å; L373-F596 HydrophobicContact CG-CZ 4.23Å; F596-N598 PolarHBondContact O-N 3.44Å; F596-V599 HydrophobicContact CB-CB 4.07Å; F596-V599 HydrophobicContact CB-CG2 4.01Å; F596-V599 HydrophobicContact CD2-CB 4.03Å; F596-V599 HydrophobicContact CD2-CG2 3.86Å; F596-V599 HydrophobicContact CG-CG2 4.36Å; F596-V599 PolarHBondContact N-O 2.83Å; F596-V599 PolarHBondContact O-N 3.44Å; F596-V599 VanDerWaalsContact O-O 3.06Å; F596-L646 HydrophobicContact CE2-CD1 4.07Å; F596-L646 HydrophobicContact CZ-CD1 3.77Å
597S93.2Very high92.1Very high2 Ų213.8 Ų13.81%0.0147%0.074CC..THydrogen-bonded Turntrans-59.5-21.7177.4-49.60000112.5S371 H572 L701 I702S371-S597 PolarHBondContact N-OG 3.5Å; S371-S597 VanDerWaalsContact N-OG 3.08Å; S371-S597 VanDerWaalsContact O-CB 3.23Å; S371-S597 WeakPolarHBondContact O-CB 3.41Å; S371-S597 PolarHBondContact O-N 2.93Å; S371-S597 PolarHBondContact O-OG 3.15Å; H572-S597 PolarHBondContact NE2-OG 2.61Å; S597-L701 WeakPolarHBondContact O-CB 3.47Å; S597-I702 VanDerWaalsContact O-CB 3.22Å; S597-I702 WeakPolarHBondContact O-CB 3.36Å; S597-I702 WeakPolarHBondContact O-CG2 3.49Å; S597-I702 PolarHBondContact O-N 3.48Å
598N93.9Very high92Very high2 Ų217.2 Ų17.21%0.0119%0.088CC..THydrogen-bonded Turntrans-112.515.1174.674.9-36.4000115.4L372 L373 F596 S662 L663 Q664 I702L372-N598 WeakPolarHBondContact CA-OD1 3.24Å; L372-N598 HydrophobicContact CD2-CB 3.74Å; L373-N598 PolarHBondContact N-ND2 3.15Å; L373-N598 PolarHBondContact N-OD1 2.89Å; L373-N598 PolarHBondContact O-ND2 3.23Å; F596-N598 PolarHBondContact O-N 3.44Å; N598-S662 PolarHBondContact O-N 3.08Å; N598-L663 HydrophobicContact CB-CB 4.5Å; N598-L663 WeakPolarHBondContact O-CG 3.45Å; N598-L663 PolarHBondContact O-N 3.36Å; N598-L663 VanDerWaalsContact O-N 3.13Å; N598-Q664 VanDerWaalsContact CB-OE1 3.29Å; N598-Q664 PolarHBondContact ND2-OE1 2.84Å; N598-I702 HydrophobicContact CB-CG2 3.64Å
599V93.2Very high91.9Very high2 Ų221.9 Ų21.91%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-133.2113.1179.1-176.50000110.3E595 F596 R659 L660E595-V599 HydrophobicContact CB-CB 4.2Å; E595-V599 HydrophobicContact CB-CG1 3.96Å; E595-V599 PolarHBondContact N-O 3.18Å; F596-V599 HydrophobicContact CB-CB 4.07Å; F596-V599 HydrophobicContact CB-CG2 4.01Å; F596-V599 HydrophobicContact CD2-CB 4.03Å; F596-V599 HydrophobicContact CD2-CG2 3.86Å; F596-V599 HydrophobicContact CG-CG2 4.36Å; F596-V599 PolarHBondContact N-O 2.83Å; F596-V599 PolarHBondContact O-N 3.44Å; F596-V599 VanDerWaalsContact O-O 3.06Å; V599-R659 HydrophobicContact CG1-CG 4.06Å; V599-L660 CarbonylContact C-O 3.56Å; V599-L660 WeakPolarHBondContact CA-O 3.38Å
600L93.3Very high91.8Very high0 Ų021.5 Ų21.50%011%0.108CC..EExtended strand (participates in β ladder)trans-106.8137.2179.3178.871.9000109.9L574 F592 I602 L660 L663 L670 I697 P700 L701L574-L600 HydrophobicContact CD2-CD1 3.58Å; F592-L600 HydrophobicContact CB-CD1 4.21Å; F592-L600 HydrophobicContact CD1-CD1 4.41Å; F592-L600 HydrophobicContact CD1-CD2 4.31Å; L600-I602 HydrophobicContact CD2-CG1 4.26Å; L600-I602 HydrophobicContact CG-CG1 4.39Å; L600-L660 HydrophobicContact CB-CB 4.42Å; L600-L660 HydrophobicContact CD2-CD1 4.45Å; L600-L660 PolarHBondContact N-O 3.42Å; L600-L660 WeakPolarHBondContact O-CA 3.18Å; L600-L660 PolarHBondContact O-N 2.64Å; L600-L663 HydrophobicContact CB-CD1 3.72Å; L600-L663 HydrophobicContact CB-CD2 4.39Å; L600-L670 HydrophobicContact CD2-CD2 4.31Å; L600-I697 HydrophobicContact CD2-CD1 3.95Å; L600-P700 HydrophobicContact CD2-CB 4.25Å; L600-P700 HydrophobicContact CD2-CG 4.11Å; L600-L701 HydrophobicContact CB-CD1 4.29Å; L600-L701 HydrophobicContact CD1-CD1 4.28Å
601V93.3Very high91.4Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-105.4127.7170.5177.10000108.4F592 A593 I644 L647 L651F592-V601 WeakPolarHBondContact CA-O 3.42Å; A593-V601 HydrophobicContact CB-CB 4.29Å; A593-V601 PolarHBondContact N-O 2.98Å; A593-V601 PolarHBondContact O-N 2.95Å; V601-I644 HydrophobicContact CB-CD1 4.1Å; V601-I644 HydrophobicContact CG1-CD1 3.46Å; V601-I644 VanDerWaalsContact CG1-CD1 3.46Å; V601-I644 HydrophobicContact CG2-CD1 3.5Å; V601-I644 VanDerWaalsContact CG2-CD1 3.5Å; V601-I644 HydrophobicContact CG2-CG1 3.9Å; V601-I644 HydrophobicContact CG2-CG2 4.45Å; V601-L647 HydrophobicContact CG2-CD1 4.17Å; V601-L651 HydrophobicContact CG1-CD1 4.08Å; V601-L651 HydrophobicContact CG1-CD2 4.31Å
602I94.3Very high91.1Very high1 Ų135.6 Ų35.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-106.8132.9172.1-59.9-178000107.9L590 F592 L600 V620 F623 Y657 T658 L660 F672L590-I602 HydrophobicContact CD1-CG2 3.37Å; L590-I602 HydrophobicContact CG-CG2 4.49Å; F592-I602 HydrophobicContact CD1-CG1 4.04Å; F592-I602 HydrophobicContact CE1-CD1 4.32Å; F592-I602 HydrophobicContact CE1-CG1 4.05Å; F592-I602 HydrophobicContact CE1-CG2 4.43Å; L600-I602 HydrophobicContact CD2-CG1 4.26Å; L600-I602 HydrophobicContact CG-CG1 4.39Å; I602-V620 HydrophobicContact CG2-CG1 4.31Å; I602-F623 HydrophobicContact CD1-CE1 3.79Å; I602-F623 HydrophobicContact CD1-CZ 3.96Å; I602-Y657 CarbonylContact O-C 3.32Å; I602-Y657 WeakPolarHBondContact O-CA 3.4Å; I602-T658 PolarHBondContact N-O 3.02Å; I602-T658 PolarHBondContact O-N 3.27Å; I602-L660 HydrophobicContact CD1-CD1 3.5Å; I602-L660 VanDerWaalsContact CD1-CD1 3.5Å; I602-L660 HydrophobicContact CD1-CG 4.23Å; I602-L660 HydrophobicContact CG1-CD1 4.19Å; I602-F672 HydrophobicContact CD1-CE1 3.96Å; I602-F672 HydrophobicContact CD1-CE2 4.4Å; I602-F672 HydrophobicContact CD1-CZ 3.87Å
603Y93.3Very high90.8Very high3 Ų335.7 Ų35.71%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-131.7139.8172.860.4-91.8000112.5L590 G591 L651 P652 C655 L656 T809L590-Y603 WeakPolarHBondContact CA-O 3.37Å; G591-Y603 VanDerWaalsContact C-CE1 3.41Å; G591-Y603 PolarHBondContact N-O 3.14Å; G591-Y603 PolarHBondContact O-N 3.01Å; Y603-L651 HydrophobicContact CD1-CD2 4.02Å; Y603-L651 HydrophobicContact CE1-CD2 4.12Å; Y603-P652 HydrophobicContact CD2-CG 4.32Å; Y603-P652 HydrophobicContact CE2-CG 3.72Å; Y603-C655 HydrophobicContact CD2-CB 4.49Å; Y603-L656 CarbonylContact C-O 3.01Å; Y603-L656 VanDerWaalsContact CA-O 3.23Å; Y603-L656 WeakPolarHBondContact CA-O 3.32Å; Y603-T809 PolarHBondContact OH-OG1 3.48Å
604T93.1Very high90.6Very high7 Ų739.2 Ų39.24%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-115.9133.117951.20000111.5I588 K589 L590 V620 C655 L656I588-T604 HydrophobicContact CG2-CG2 4.48Å; K589-T604 WeakPolarHBondContact O-CA 3.31Å; L590-T604 HydrophobicContact CD1-CG2 3.56Å; T604-V620 HydrophobicContact CG2-CG1 3.99Å; T604-C655 VanDerWaalsContact O-CA 3.31Å; T604-C655 WeakPolarHBondContact O-CA 3.4Å; T604-C655 WeakPolarHBondContact O-CB 3.02Å; T604-L656 PolarHBondContact N-O 3.43Å; T604-L656 PolarHBondContact O-N 3.24Å
605H90.8Very high90.4Very high47 Ų4742.6 Ų42.622%0.21821%0.214CC..EExtended strand (participates in β ladder)trans-129.6131.6177.4179.8-96.5000110.6I588 K589 V607I588-H605 CarbonylContact C-O 3.54Å; I588-H605 WeakPolarHBondContact CA-O 3.27Å; K589-H605 PolarHBondContact N-O 3.45Å; K589-H605 PolarHBondContact O-N 3.03Å; H605-V607 PolarHBondContact O-N 3.4Å
606I90.9Very high90.3Very high51 Ų5143.3 Ų43.326%0.26222%0.219SC..EExtended strand (participates in β ladder)trans-81.9108.9175.4-60.6166.6000108.2I588 K609 C616 A618I588-I606 HydrophobicContact CG1-CG1 4.45Å; I606-K609 HydrophobicContact CG2-CB 4.37Å; I606-C616 HydrophobicContact CD1-CB 4.23Å; I606-C616 VanDerWaalsContact CD1-O 3.28Å; I606-C616 WeakPolarHBondContact CD1-O 3.39Å; I606-A618 HydrophobicContact CG1-CB 4.22Å
607V89.6Confident90.2Very high69 Ų6946.4 Ų46.442%0.41823%0.234SC..EExtended strand (participates in β ladder)trans-80.9-41.4179.9178.90000111.2Q587 K589 H605Q587-V607 HydrophobicContact CB-CB 4.44Å; Q587-V607 HydrophobicContact CG-CB 4.37Å; Q587-V607 PolarHBondContact O-N 3.29Å; K589-V607 HydrophobicContact CB-CG2 3.47Å; K589-V607 VanDerWaalsContact CB-CG2 3.47Å; K589-V607 HydrophobicContact CD-CG2 4.42Å; H605-V607 PolarHBondContact O-N 3.4Å
608K90.3Very high90.1Very high124 Ų12446.5 Ų46.554%0.53924%0.235SC..EExtended strand (participates in β ladder)trans-133.6125.3-178.7-170.7-179177.7-178.20109.9A586 Q587A586-K608 CarbonylContact C-O 3.48Å; A586-K608 VanDerWaalsContact CA-O 3.23Å; A586-K608 WeakPolarHBondContact CA-O 3.33Å; Q587-K608 HydrophobicContact CB-CB 3.71Å; Q587-K608 PolarHBondContact N-O 3.35Å; Q587-K608 PolarHBondContact O-N 3.46Å; Q587-K608 VanDerWaalsContact O-N 3.13Å
609K91.3Very high90.1Very high97 Ų9748.7 Ų48.742%0.42224%0.244SC..  trans-113132.5171-172-172.366.865.70109.1I606 M613 C616I606-K609 HydrophobicContact CG2-CB 4.37Å; K609-M613 HydrophobicContact CG-CB 4.34Å; K609-M613 HydrophobicContact CG-CG 4.45Å; K609-M613 HydrophobicContact CG-SD 4.25Å; K609-M613 PolarHBondContact NZ-O 2.88Å; K609-C616 HydrophobicContact CD-CB 3.72Å; K609-C616 HydrophobicContact CG-CB 3.79Å
610P89.2Confident90.2Very high16 Ų1648.6 Ų48.610%0.10424%0.244CC..  trans-56.1147.9170.7-23.533.9000112.4C584 A586 D612 M613C584-P610 WeakPolarHBondContact O-CG 3.44Å; A586-P610 HydrophobicContact CB-CG 4.47Å; P610-D612 WeakPolarHBondContact CB-OD1 3.25Å; P610-M613 HydrophobicContact CB-CB 4.12Å; P610-M613 HydrophobicContact CG-CE 4.43Å; P610-M613 PolarHBondContact O-N 3.47Å
611E84Confident90.2Very high199 Ų19950.8 Ų50.893%0.9326%0.257SS*.THydrogen-bonded Turntrans-70.1-32.4-176.9-69-173.8176.500112.7M613E611-M613 VanDerWaalsContact C-N 3.3Å
612D86Confident90Very high97 Ų9755.7 Ų55.752%0.51928%0.284SS..THydrogen-bonded Turntrans-78.6-11.2179.259-27.1000113.9P610 F680 A681P610-D612 WeakPolarHBondContact CB-OD1 3.25Å; D612-F680 HydrophobicContact CB-CD1 4.22Å; D612-F680 WeakPolarHBondContact O-CA 3.46Å; D612-F680 WeakPolarHBondContact OD2-CD1 3.34Å; D612-F680 WeakPolarHBondContact OD2-CE1 3.33Å; D612-A681 PolarHBondContact O-N 3.13Å
613M86.4Confident89.8Confident2 Ų256.9 Ų56.91%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-87.6117.9179.5-174.1175.3-80.900110.7C584 K609 P610 E611 F615 C616 T679 F680 W691C584-M613 HydrophobicContact CB-CE 4.35Å; K609-M613 HydrophobicContact CG-CB 4.34Å; K609-M613 HydrophobicContact CG-CG 4.45Å; K609-M613 HydrophobicContact CG-SD 4.25Å; K609-M613 PolarHBondContact NZ-O 2.88Å; P610-M613 HydrophobicContact CB-CB 4.12Å; P610-M613 HydrophobicContact CG-CE 4.43Å; P610-M613 PolarHBondContact O-N 3.47Å; E611-M613 VanDerWaalsContact C-N 3.3Å; M613-F615 WeakPolarHBondContact CG-O 3.48Å; M613-C616 HydrophobicContact CG-CB 4.29Å; M613-C616 HydrophobicContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-SG 3.62Å; M613-T679 CarbonylContact C-O 3.5Å; M613-T679 WeakPolarHBondContact CA-O 3.23Å; M613-T679 WeakPolarHBondContact CG-O 3.43Å; M613-F680 HydrophobicContact CB-CD1 4.24Å; M613-F680 HydrophobicContact CB-CE1 4.16Å; M613-F680 HydrophobicContact CE-CE1 4.05Å; M613-F680 HydrophobicContact CE-CE2 4.11Å; M613-F680 HydrophobicContact CE-CZ 3.62Å; M613-W691 HydrophobicContact CE-CH2 3.85Å; M613-W691 HydrophobicContact CE-CZ3 3.96Å
614S84.4Confident89.4Confident76 Ų7658.5 Ų58.553%0.53130%0.301SS..EExtended strand (participates in β ladder)trans-81.2-34.7-178.6520000112.9T679S614-T679 PolarHBondContact N-O 3Å; S614-T679 PolarHBondContact OG-O 3.35Å; S614-T679 PolarHBondContact OG-OG1 3.37Å; S614-T679 VanDerWaalsContact OG-OG1 3.12Å
615F87.1Confident88.9Confident89 Ų8966.2 Ų66.239%0.3934%0.341SS..EExtended strand (participates in β ladder)trans-131.5141.6176.5175.3-99000110.5M613 Q617 Q677 G678 T679M613-F615 WeakPolarHBondContact CG-O 3.48Å; F615-Q617 HydrophobicContact CE1-CB 3.91Å; F615-Q617 HydrophobicContact CE2-CB 4.5Å; F615-Q617 HydrophobicContact CZ-CB 3.67Å; F615-Q677 HydrophobicContact CE1-CG 4.25Å; F615-G678 WeakPolarHBondContact O-CA 3.14Å; F615-T679 WeakPolarHBondContact CB-OG1 3.27Å; F615-T679 PolarHBondContact N-O 3.3Å; F615-T679 PolarHBondContact O-N 3.36Å; F615-T679 VanDerWaalsContact O-N 3.09Å
616C87.6Confident88.5Confident21 Ų2166.7 Ų66.714%0.14235%0.345CS..EExtended strand (participates in β ladder)trans-150.1122.6178.3-169.80000109.6I606 K609 M613 L676 Q677I606-C616 HydrophobicContact CD1-CB 4.23Å; I606-C616 VanDerWaalsContact CD1-O 3.28Å; I606-C616 WeakPolarHBondContact CD1-O 3.39Å; K609-C616 HydrophobicContact CD-CB 3.72Å; K609-C616 HydrophobicContact CG-CB 3.79Å; M613-C616 HydrophobicContact CG-CB 4.29Å; M613-C616 HydrophobicContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-CB 3.56Å; M613-C616 VanDerWaalsContact SD-SG 3.62Å; C616-L676 WeakPolarHBondContact SG-CD1 3.45Å; C616-Q677 CarbonylContact C-O 3.55Å; C616-Q677 WeakPolarHBondContact CA-O 3.38Å
617Q89.6Confident88.2Confident70 Ų7064.4 Ų64.433%0.32733%0.333SS..EExtended strand (participates in β ladder)trans-138.5136.1176.4-169.9176.131.200110.1F615 L656 L676 Q677F615-Q617 HydrophobicContact CE1-CB 3.91Å; F615-Q617 HydrophobicContact CE2-CB 4.5Å; F615-Q617 HydrophobicContact CZ-CB 3.67Å; Q617-L656 HydrophobicContact CG-CD1 4.16Å; Q617-L676 WeakPolarHBondContact O-CD1 3.32Å; Q617-Q677 PolarHBondContact N-O 2.71Å; Q617-Q677 PolarHBondContact O-N 2.87Å
618A91.4Very high87.8Confident4 Ų468.2 Ų68.23%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-111.8131.217800000109.2I588 I606 L656 C675 L676I588-A618 HydrophobicContact CD1-CB 3.56Å; I588-A618 HydrophobicContact CG1-CB 4.05Å; I588-A618 HydrophobicContact CG2-CB 4.01Å; I606-A618 HydrophobicContact CG1-CB 4.22Å; A618-L656 WeakPolarHBondContact O-CD1 3.09Å; A618-C675 CarbonylContact C-O 3.59Å; A618-C675 WeakPolarHBondContact CA-O 3.48Å; A618-L676 HydrophobicContact CB-CD1 4.36Å
619H92.8Very high87.5Confident47 Ų4763.8 Ų63.822%0.21834%0.335CS..EExtended strand (participates in β ladder)trans-136.7151.817558.5-89.7000111.2N635 C675H619-N635 WeakPolarHBondContact CA-OD1 2.89Å; H619-N635 HydrophobicContact CB-CB 4.1Å; H619-N635 WeakPolarHBondContact CB-OD1 3.49Å; H619-C675 PolarHBondContact CE1-SG 3.07Å; H619-C675 PolarHBondContact N-O 2.94Å; H619-C675 VanDerWaalsContact NE2-CB 3.32Å; H619-C675 WeakPolarHBondContact NE2-CB 3.41Å; H619-C675 PolarHBondContact NE2-SG 2.65Å; H619-C675 PolarHBondContact O-N 3.17Å
620V94.5Very high87.2Confident1 Ų163 Ų631%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-94.3141.7173-66.10000110.7L590 I602 T604 F623 M634 N635 T658 F672 T673 V674L590-V620 HydrophobicContact CD1-CG1 4.46Å; I602-V620 HydrophobicContact CG2-CG1 4.31Å; T604-V620 HydrophobicContact CG2-CG1 3.99Å; V620-F623 HydrophobicContact CB-CE2 4.03Å; V620-F623 HydrophobicContact CB-CZ 3.85Å; V620-F623 HydrophobicContact CG2-CE2 3.76Å; V620-F623 HydrophobicContact CG2-CZ 3.73Å; V620-M634 HydrophobicContact CG2-CE 4.47Å; V620-M634 WeakPolarHBondContact O-CE 3.05Å; V620-N635 VanDerWaalsContact CG2-OD1 3.25Å; V620-N635 WeakPolarHBondContact CG2-OD1 3.47Å; V620-N635 PolarHBondContact N-OD1 3.11Å; V620-N635 PolarHBondContact O-ND2 3.08Å; V620-T658 HydrophobicContact CG2-CG2 4.19Å; V620-T658 WeakPolarHBondContact CG2-OG1 3.45Å; V620-F672 HydrophobicContact CB-CD2 4.2Å; V620-F672 HydrophobicContact CB-CE2 4.48Å; V620-F672 HydrophobicContact CG1-CD2 4Å; V620-F672 HydrophobicContact CG1-CE2 3.82Å; V620-T673 CarbonylContact C-O 3.42Å; V620-T673 WeakPolarHBondContact CA-O 3.42Å; V620-V674 HydrophobicContact CG1-CG2 4.2Å
621T93.4Very high87Confident45 Ų4567.2 Ų67.228%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-150.4177.4179.7-174.90000110.4F623 T673 C675T621-F623 PolarHBondContact O-N 3.33Å; T621-T673 HydrophobicContact CG2-CG2 4.34Å; T621-T673 PolarHBondContact N-O 2.97Å; T621-T673 PolarHBondContact O-N 3.01Å; T621-C675 HydrophobicContact CG2-CB 4.42Å
622D90.1Very high87.2Confident103 Ų10364.6 Ų64.655%0.55135%0.348SS*.  trans62.940.2171.9-47.4-27.3000114.1T673D622-T673 VanDerWaalsContact OD2-CB 3.26Å; D622-T673 WeakPolarHBondContact OD2-CB 3.43Å; D622-T673 PolarHBondContact OD2-OG1 3.44Å
623F90.6Very high87.2Confident26 Ų2664.5 Ų64.511%0.11434%0.344CS..  trans-68.6157.8171.7-68.8-73.3000112.1I602 V620 T621 L625 V629 M634 T658 L660 L670 F672I602-F623 HydrophobicContact CD1-CE1 3.79Å; I602-F623 HydrophobicContact CD1-CZ 3.96Å; V620-F623 HydrophobicContact CB-CE2 4.03Å; V620-F623 HydrophobicContact CB-CZ 3.85Å; V620-F623 HydrophobicContact CG2-CE2 3.76Å; V620-F623 HydrophobicContact CG2-CZ 3.73Å; T621-F623 PolarHBondContact O-N 3.33Å; F623-L625 PolarHBondContact O-N 3.06Å; F623-V629 HydrophobicContact CB-CG2 4.26Å; F623-M634 HydrophobicContact CD2-CE 3.6Å; F623-M634 HydrophobicContact CD2-SD 4Å; F623-M634 HydrophobicContact CE2-CE 3.45Å; F623-M634 VanDerWaalsContact CE2-CE 3.45Å; F623-M634 HydrophobicContact CE2-SD 4.23Å; F623-T658 HydrophobicContact CE2-CG2 4.02Å; F623-T658 HydrophobicContact CZ-CG2 4.25Å; F623-L660 HydrophobicContact CD1-CD1 4.07Å; F623-L660 HydrophobicContact CD1-CD2 4.1Å; F623-L660 HydrophobicContact CD2-CD2 4.37Å; F623-L660 HydrophobicContact CE1-CD1 3.74Å; F623-L660 HydrophobicContact CE1-CD2 4.04Å; F623-L660 HydrophobicContact CE1-CG 4.45Å; F623-L660 HydrophobicContact CE2-CD2 4.31Å; F623-L660 HydrophobicContact CG-CD2 4.27Å; F623-L660 HydrophobicContact CZ-CD1 4.39Å; F623-L660 HydrophobicContact CZ-CD2 4.15Å; F623-L670 HydrophobicContact CD1-CD1 4.13Å; F623-F672 HydrophobicContact CD1-CB 3.52Å; F623-F672 HydrophobicContact CD1-CD1 4.27Å; F623-F672 HydrophobicContact CD1-CG 4.03Å; F623-F672 HydrophobicContact CE1-CB 3.42Å; F623-F672 VanDerWaalsContact CE1-CB 3.42Å; F623-F672 AromaticContact CE1-CD1 3.69Å; F623-F672 HydrophobicContact CE1-CD1 3.69Å; F623-F672 AromaticContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CE1 4.4Å; F623-F672 AromaticContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CE1-CG 3.43Å; F623-F672 VanDerWaalsContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CG-CB 4.22Å; F623-F672 HydrophobicContact CZ-CB 4.05Å; F623-F672 HydrophobicContact CZ-CD2 4.11Å; F623-F672 HydrophobicContact CZ-CG 4.02Å
624S84.6Confident87.4Confident37 Ų3765.3 Ų65.326%0.25935%0.348SS..  trans-56.6136.2174.6-179.60000111.7D626 L627S624-D626 PolarHBondContact O-N 3.08Å; S624-D626 VanDerWaalsContact O-N 3.13Å; S624-D626 PolarHBondContact OG-N 3.47Å; S624-L627 PolarHBondContact O-N 2.76Å; S624-L627 VanDerWaalsContact O-N 3.13Å
625L81.9Confident87.8Confident169 Ų16963.4 Ų63.489%0.88533%0.332SS*.G310 helixtrans-59.5-22.1174.4-65.8171.7000112.6F623 L627 D628F623-L625 PolarHBondContact O-N 3.06Å; L625-L627 PolarHBondContact O-N 3.44Å; L625-D628 PolarHBondContact O-N 3.07Å
626D83Confident88.1Confident57 Ų5763.6 Ų63.631%0.30533%0.33SS..G310 helixtrans-64.5-24.7177.7-68.6-25.5000113.2S624S624-D626 PolarHBondContact O-N 3.08Å; S624-D626 VanDerWaalsContact O-N 3.13Å; S624-D626 PolarHBondContact OG-N 3.47Å
627L84.3Confident88.2Confident3 Ų369.3 Ų69.32%0.01636%0.355CS..G310 helixtrans-90.7-9.5-175.6-66.5179.7000113.9S624 L625 V629 L663 L666 L670S624-L627 PolarHBondContact O-N 2.76Å; S624-L627 VanDerWaalsContact O-N 3.13Å; L625-L627 PolarHBondContact O-N 3.44Å; L627-V629 VanDerWaalsContact C-N 3.25Å; L627-V629 HydrophobicContact CB-CG2 3.77Å; L627-V629 PolarHBondContact O-N 3.27Å; L627-L663 HydrophobicContact CD2-CD2 4.34Å; L627-L666 HydrophobicContact CD1-CD1 4.24Å; L627-L666 HydrophobicContact CD2-CB 4.19Å; L627-L666 HydrophobicContact CD2-CD1 4.43Å; L627-L666 HydrophobicContact CG-CD1 4.19Å; L627-L670 HydrophobicContact CD1-CD1 3.73Å
628D80.8Confident88.2Confident150 Ų15068.5 Ų68.580%0.80236%0.355SS*.  trans44.547.2178.6-16128000113.7L625 D630L625-D628 PolarHBondContact O-N 3.07Å; D628-D630 PolarHBondContact O-N 2.94Å
629V85Confident88Confident31 Ų3168.7 Ų68.719%0.18836%0.356CS..  trans-76.5119.7-178-169.60000109.1F623 L627 P631 M634 L660F623-V629 HydrophobicContact CB-CG2 4.26Å; L627-V629 VanDerWaalsContact C-N 3.25Å; L627-V629 HydrophobicContact CB-CG2 3.77Å; L627-V629 PolarHBondContact O-N 3.27Å; V629-P631 VanDerWaalsContact O-CD 3.24Å; V629-P631 WeakPolarHBondContact O-CD 3.45Å; V629-M634 HydrophobicContact CB-SD 4.28Å; V629-M634 HydrophobicContact CG1-CG 3.58Å; V629-M634 HydrophobicContact CG1-SD 3.56Å; V629-M634 VanDerWaalsContact CG1-SD 3.56Å; V629-L660 HydrophobicContact CG1-CD2 4.09Å; V629-L660 HydrophobicContact CG2-CD2 3.6Å
630D84.8Confident87.8Confident80 Ų8070.1 Ų70.143%0.42836%0.363SS..  trans-69.1117.6175.3-172.3-16.1000109.8D628 K632 E633 M634D628-D630 PolarHBondContact O-N 2.94Å; D630-K632 PolarHBondContact O-N 3.09Å; D630-K632 WeakPolarHBondContact OD1-CB 3.29Å; D630-K632 PolarHBondContact OD1-N 2.95Å; D630-E633 HydrophobicContact CB-CB 4.37Å; D630-E633 HydrophobicContact CB-CG 4.02Å; D630-E633 PolarHBondContact O-N 3.27Å; D630-M634 WeakPolarHBondContact O-CG 2.99Å
631P85.7Confident87.4Confident105 Ų10574.3 Ų74.368%0.68238%0.382SS*.G310 helixtrans-57.2-22.7177.5-24.835.5000113.9V629 E633V629-P631 VanDerWaalsContact O-CD 3.24Å; V629-P631 WeakPolarHBondContact O-CD 3.45Å; P631-E633 VanDerWaalsContact C-N 3.32Å
632K86.7Confident86.9Confident144 Ų14472.5 Ų72.563%0.62637%0.371SS*.G310 helixtrans-72.8-24.5175.3-64.8176.9-178.2171.90112.6D630 M634 R636D630-K632 PolarHBondContact O-N 3.09Å; D630-K632 WeakPolarHBondContact OD1-CB 3.29Å; D630-K632 PolarHBondContact OD1-N 2.95Å; K632-M634 VanDerWaalsContact C-N 3.35Å; K632-R636 PolarHBondContact O-NE 2.93Å; K632-R636 PolarHBondContact O-NH2 2.81Å
633E86.3Confident86.6Confident94 Ų9468.3 Ų68.344%0.43935%0.352SS..G310 helixtrans-96.84.8-178.1-58.3-66127.900111.6D630 P631 E641 T642D630-E633 HydrophobicContact CB-CB 4.37Å; D630-E633 HydrophobicContact CB-CG 4.02Å; D630-E633 PolarHBondContact O-N 3.27Å; P631-E633 VanDerWaalsContact C-N 3.32Å; E633-E641 VanDerWaalsContact OE2-O 3.08Å; E633-T642 VanDerWaalsContact O-CG2 3.31Å; E633-T642 WeakPolarHBondContact O-CG2 3.26Å
634M91.3Very high86.3Confident19 Ų1967 Ų679%0.09435%0.346CS..SBendtrans-94.3155.5179.7-64.8174.842.200112.3V620 F623 V629 D630 K632 R636 T658V620-M634 HydrophobicContact CG2-CE 4.47Å; V620-M634 WeakPolarHBondContact O-CE 3.05Å; F623-M634 HydrophobicContact CD2-CE 3.6Å; F623-M634 HydrophobicContact CD2-SD 4Å; F623-M634 HydrophobicContact CE2-CE 3.45Å; F623-M634 VanDerWaalsContact CE2-CE 3.45Å; F623-M634 HydrophobicContact CE2-SD 4.23Å; V629-M634 HydrophobicContact CB-SD 4.28Å; V629-M634 HydrophobicContact CG1-CG 3.58Å; V629-M634 HydrophobicContact CG1-SD 3.56Å; V629-M634 VanDerWaalsContact CG1-SD 3.56Å; D630-M634 WeakPolarHBondContact O-CG 2.99Å; K632-M634 VanDerWaalsContact C-N 3.35Å; M634-R636 VanDerWaalsContact C-N 3.34Å; M634-R636 PolarHBondContact O-N 2.7Å; M634-T658 HydrophobicContact CB-CG2 4.21Å; M634-T658 HydrophobicContact CG-CG2 3.8Å
635N92.8Very high86.2Confident36 Ų3669.7 Ų69.719%0.19335%0.351CS..SBendtrans55.741.1171.6-55.2-67.6000114.6H619 V620 L656 Y657 T658H619-N635 WeakPolarHBondContact CA-OD1 2.89Å; H619-N635 HydrophobicContact CB-CB 4.1Å; H619-N635 WeakPolarHBondContact CB-OD1 3.49Å; V620-N635 VanDerWaalsContact CG2-OD1 3.25Å; V620-N635 WeakPolarHBondContact CG2-OD1 3.47Å; V620-N635 PolarHBondContact N-OD1 3.11Å; V620-N635 PolarHBondContact O-ND2 3.08Å; N635-L656 HydrophobicContact CB-CB 4.43Å; N635-L656 HydrophobicContact CB-CD1 4.12Å; N635-Y657 CarbonylContact C-O 3.53Å; N635-Y657 VanDerWaalsContact CA-O 3.29Å; N635-Y657 WeakPolarHBondContact CA-O 3.5Å; N635-Y657 PolarHBondContact N-O 2.92Å; N635-T658 PolarHBondContact N-OG1 2.86Å
636R93.8Very high86.3Confident93 Ų9362.9 Ų62.935%0.35132%0.315SS..BIsolated β-bridgetrans-86.1149.2-179.3-60.3-73.4164.3-172.9-2111.5K632 M634 T638 E641 T642 L656 Y657K632-R636 PolarHBondContact O-NE 2.93Å; K632-R636 PolarHBondContact O-NH2 2.81Å; M634-R636 VanDerWaalsContact C-N 3.34Å; M634-R636 PolarHBondContact O-N 2.7Å; R636-T638 VanDerWaalsContact C-N 3.31Å; R636-E641 HydrophobicContact CB-CB 3.63Å; R636-E641 WeakPolarHBondContact CD-OE2 3.25Å; R636-E641 HydrophobicContact CG-CB 3.73Å; R636-T642 HydrophobicContact CB-CG2 3.54Å; R636-T642 HydrophobicContact CG-CG2 3.65Å; R636-L656 CarbonylContact O-C 3.53Å; R636-L656 WeakPolarHBondContact O-CA 3.46Å; R636-Y657 PolarHBondContact N-O 2.83Å; R636-Y657 WeakPolarHBondContact O-CD2 3.43Å; R636-Y657 PolarHBondContact O-N 2.81Å
637E89.1Confident86.2Confident142 Ų14260.1 Ų60.166%0.66430%0.301SS*.SBendtrans-76.7-21.1-178.7-66.3-174.9173.500112.8L656 Y657E637-L656 HydrophobicContact CB-CD2 4.45Å; E637-L656 HydrophobicContact CG-CD2 3.71Å; E637-Y657 WeakPolarHBondContact O-CE2 3.29Å
638T89.3Confident85.8Confident52 Ų5261.8 Ų61.832%0.31931%0.312SS..SBendtrans-118.3139.717564.60000110.2R636 E640 E641R636-T638 VanDerWaalsContact C-N 3.31Å; T638-E640 PolarHBondContact O-N 3.44Å; T638-E641 PolarHBondContact O-N 3.11Å; T638-E641 WeakPolarHBondContact OG1-CG 3.46Å; T638-E641 PolarHBondContact OG1-OE1 3.3Å
639P88.2Confident85.5Confident9 Ų960.2 Ų60.26%0.05831%0.313CS..G310 helixtrans-58.5-36.3177.1-24.534.3000112.7E641 T642 I644 L651 Y657P639-E641 VanDerWaalsContact C-N 3.27Å; P639-E641 PolarHBondContact O-N 2.98Å; P639-T642 PolarHBondContact O-N 2.79Å; P639-T642 PolarHBondContact O-OG1 3.46Å; P639-I644 CarbonylContact C-O 3.37Å; P639-I644 HydrophobicContact CB-CB 3.84Å; P639-I644 HydrophobicContact CB-CD1 4.38Å; P639-I644 HydrophobicContact CB-CG2 4.05Å; P639-I644 WeakPolarHBondContact O-CB 3.22Å; P639-I644 PolarHBondContact O-N 2.89Å; P639-L651 HydrophobicContact CB-CD1 4.08Å; P639-L651 HydrophobicContact CG-CD1 4.03Å; P639-Y657 HydrophobicContact CB-CD2 4.48Å; P639-Y657 HydrophobicContact CB-CG 4.49Å; P639-Y657 HydrophobicContact CG-CD1 4.22Å; P639-Y657 HydrophobicContact CG-CD2 3.87Å; P639-Y657 HydrophobicContact CG-CE1 4.09Å; P639-Y657 HydrophobicContact CG-CE2 3.71Å; P639-Y657 HydrophobicContact CG-CG 4.13Å
640E87.9Confident85.2Confident77 Ų7761 Ų6136%0.3632%0.32SS..G310 helixtrans-63.8-31-176.7-65.781.1-178.300113.2T638 T642 G643 I644 Y645 S648T638-E640 PolarHBondContact O-N 3.44Å; E640-T642 PolarHBondContact O-N 3.33Å; E640-G643 PolarHBondContact O-N 2.78Å; E640-G643 VanDerWaalsContact O-N 3.16Å; E640-I644 PolarHBondContact N-O 2.86Å; E640-Y645 HydrophobicContact CB-CD1 4.08Å; E640-Y645 HydrophobicContact CB-CE1 3.94Å; E640-Y645 HydrophobicContact CG-CD1 4Å; E640-Y645 HydrophobicContact CG-CE1 4.35Å; E640-Y645 WeakPolarHBondContact O-CE1 3.49Å; E640-Y645 PolarHBondContact O-OH 2.89Å; E640-S648 WeakPolarHBondContact OE1-CB 3.13Å; E640-S648 PolarHBondContact OE1-OG 3.04Å
641E86.3Confident85.2Confident88 Ų8857.7 Ų57.741%0.41130%0.303SS..G310 helixtrans-67.2-19.4174.5-81.3168.5-139.800113.1E633 R636 T638 P639E633-E641 VanDerWaalsContact OE2-O 3.08Å; R636-E641 HydrophobicContact CB-CB 3.63Å; R636-E641 WeakPolarHBondContact CD-OE2 3.25Å; R636-E641 HydrophobicContact CG-CB 3.73Å; T638-E641 PolarHBondContact O-N 3.11Å; T638-E641 WeakPolarHBondContact OG1-CG 3.46Å; T638-E641 PolarHBondContact OG1-OE1 3.3Å; P639-E641 VanDerWaalsContact C-N 3.27Å; P639-E641 PolarHBondContact O-N 2.98Å
642T83.3Confident85Confident8 Ų853.2 Ų53.25%0.04927%0.273CS..G310 helixtrans-97.23.6174.968.90000112.8E633 R636 P639 E640 I644 Y657 R659E633-T642 VanDerWaalsContact O-CG2 3.31Å; E633-T642 WeakPolarHBondContact O-CG2 3.26Å; R636-T642 HydrophobicContact CB-CG2 3.54Å; R636-T642 HydrophobicContact CG-CG2 3.65Å; P639-T642 PolarHBondContact O-N 2.79Å; P639-T642 PolarHBondContact O-OG1 3.46Å; E640-T642 PolarHBondContact O-N 3.33Å; T642-I644 WeakPolarHBondContact OG1-CD1 3.1Å; T642-I644 WeakPolarHBondContact OG1-CG1 3.36Å; T642-Y657 WeakPolarHBondContact CG2-O 3.22Å; T642-R659 WeakPolarHBondContact O-CB 3.38Å; T642-R659 VanDerWaalsContact O-CD 3.25Å; T642-R659 WeakPolarHBondContact O-CD 3.07Å
643G83Confident84.8Confident14 Ų1453.7 Ų53.714%0.14428%0.278CS..THydrogen-bonded Turntrans81.513.9-172.500000114.9E640 Y645E640-G643 PolarHBondContact O-N 2.78Å; E640-G643 VanDerWaalsContact O-N 3.16Å; G643-Y645 VanDerWaalsContact CA-CE2 3.46Å; G643-Y645 VanDerWaalsContact O-CD2 3.22Å; G643-Y645 WeakPolarHBondContact O-CD2 3.35Å; G643-Y645 WeakPolarHBondContact O-CE2 3.39Å; G643-Y645 PolarHBondContact O-N 2.78Å
644I83.5Confident84.7Confident0 Ų056.1 Ų56.10%029%0.289CS..  trans-90.196.2174.6-56.4161.9000108.7V601 P639 E640 T642 L647 L651 R659V601-I644 HydrophobicContact CB-CD1 4.1Å; V601-I644 HydrophobicContact CG1-CD1 3.46Å; V601-I644 VanDerWaalsContact CG1-CD1 3.46Å; V601-I644 HydrophobicContact CG2-CD1 3.5Å; V601-I644 VanDerWaalsContact CG2-CD1 3.5Å; V601-I644 HydrophobicContact CG2-CG1 3.9Å; V601-I644 HydrophobicContact CG2-CG2 4.45Å; P639-I644 CarbonylContact C-O 3.37Å; P639-I644 HydrophobicContact CB-CB 3.84Å; P639-I644 HydrophobicContact CB-CD1 4.38Å; P639-I644 HydrophobicContact CB-CG2 4.05Å; P639-I644 WeakPolarHBondContact O-CB 3.22Å; P639-I644 PolarHBondContact O-N 2.89Å; E640-I644 PolarHBondContact N-O 2.86Å; T642-I644 WeakPolarHBondContact OG1-CD1 3.1Å; T642-I644 WeakPolarHBondContact OG1-CG1 3.36Å; I644-L647 HydrophobicContact CG2-CB 3.77Å; I644-L647 HydrophobicContact CG2-CG 4.43Å; I644-L651 HydrophobicContact CD1-CD1 4.49Å; I644-L651 HydrophobicContact CG2-CD1 4.11Å; I644-R659 HydrophobicContact CD1-CB 4.1Å; I644-R659 HydrophobicContact CG1-CB 3.92Å; I644-R659 HydrophobicContact CG1-CG 3.92Å
645Y83.8Confident84.6Confident93 Ų9355.4 Ų55.437%0.36529%0.286SS..  trans-102.2-22.2-179.2-54.2-71.1000112.9F494 E640 G643F494-Y645 HydrophobicContact CD1-CD2 4.3Å; F494-Y645 HydrophobicContact CD1-CG 4.5Å; F494-Y645 HydrophobicContact CD2-CD1 4.28Å; F494-Y645 AromaticContact CD2-CG 3.99Å; F494-Y645 HydrophobicContact CD2-CG 3.99Å; F494-Y645 AromaticContact CE1-CD2 3.42Å; F494-Y645 HydrophobicContact CE1-CD2 3.42Å; F494-Y645 VanDerWaalsContact CE1-CD2 3.42Å; F494-Y645 AromaticContact CE1-CE2 3.77Å; F494-Y645 HydrophobicContact CE1-CE2 3.77Å; F494-Y645 AromaticContact CE1-CG 3.89Å; F494-Y645 HydrophobicContact CE1-CG 3.89Å; F494-Y645 AromaticContact CE2-CD1 3.38Å; F494-Y645 HydrophobicContact CE2-CD1 3.38Å; F494-Y645 AromaticContact CE2-CD2 3.69Å; F494-Y645 HydrophobicContact CE2-CD2 3.69Å; F494-Y645 AromaticContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE1 3.79Å; F494-Y645 HydrophobicContact CE2-CE2 4.05Å; F494-Y645 AromaticContact CE2-CG 3.31Å; F494-Y645 HydrophobicContact CE2-CG 3.31Å; F494-Y645 AromaticContact CZ-CD1 3.63Å; F494-Y645 HydrophobicContact CZ-CD1 3.63Å; F494-Y645 AromaticContact CZ-CD2 3.08Å; F494-Y645 HydrophobicContact CZ-CD2 3.08Å; F494-Y645 AromaticContact CZ-CE1 3.77Å; F494-Y645 HydrophobicContact CZ-CE1 3.77Å; F494-Y645 AromaticContact CZ-CE2 3.22Å; F494-Y645 HydrophobicContact CZ-CE2 3.22Å; F494-Y645 AromaticContact CZ-CG 3.28Å; F494-Y645 HydrophobicContact CZ-CG 3.28Å; F494-Y645 AromaticContact CZ-CZ 3.56Å; E640-Y645 HydrophobicContact CB-CD1 4.08Å; E640-Y645 HydrophobicContact CB-CE1 3.94Å; E640-Y645 HydrophobicContact CG-CD1 4Å; E640-Y645 HydrophobicContact CG-CE1 4.35Å; E640-Y645 WeakPolarHBondContact O-CE1 3.49Å; E640-Y645 PolarHBondContact O-OH 2.89Å; G643-Y645 VanDerWaalsContact CA-CE2 3.46Å; G643-Y645 VanDerWaalsContact O-CD2 3.22Å; G643-Y645 WeakPolarHBondContact O-CD2 3.35Å; G643-Y645 WeakPolarHBondContact O-CE2 3.39Å; G643-Y645 PolarHBondContact O-N 2.78Å
646L83.2Confident84.6Confident25 Ų2554.7 Ų54.713%0.13128%0.282CS..SBendtrans-91.6-26.1-169.5-61.2170.8000113M352 V353 Y356 E595 F596M352-L646 HydrophobicContact CG-CD1 3.92Å; M352-L646 HydrophobicContact SD-CD1 4.47Å; V353-L646 HydrophobicContact CG2-CD2 4.5Å; Y356-L646 HydrophobicContact CD1-CB 4.19Å; Y356-L646 HydrophobicContact CD1-CD1 4.14Å; Y356-L646 HydrophobicContact CD1-CD2 3.89Å; Y356-L646 HydrophobicContact CD1-CG 4.3Å; Y356-L646 HydrophobicContact CD2-CB 4.11Å; Y356-L646 HydrophobicContact CD2-CD1 3.82Å; Y356-L646 HydrophobicContact CD2-CG 4.49Å; Y356-L646 HydrophobicContact CE1-CB 3.93Å; Y356-L646 HydrophobicContact CE1-CD2 4.2Å; Y356-L646 HydrophobicContact CE1-CG 4.49Å; Y356-L646 HydrophobicContact CE2-CB 3.87Å; Y356-L646 HydrophobicContact CE2-CD1 4.43Å; Y356-L646 HydrophobicContact CG-CB 4.23Å; Y356-L646 HydrophobicContact CG-CD1 3.62Å; Y356-L646 HydrophobicContact CG-CD2 4.24Å; Y356-L646 HydrophobicContact CG-CG 4.25Å; Y356-L646 PolarHBondContact OH-O 3.19Å; E595-L646 HydrophobicContact CG-CB 4.48Å; E595-L646 HydrophobicContact CG-CD1 4.39Å; F596-L646 HydrophobicContact CE2-CD1 4.07Å; F596-L646 HydrophobicContact CZ-CD1 3.77Å
647L80.7Confident84.6Confident0 Ų050.6 Ų50.60%027%0.266CS..SBendtrans-106.7-0.1-177.7-60.7-178.6000114.1Y356 A593 E595 V601 I644 S649 S650 L651 I806Y356-L647 HydrophobicContact CE2-CD2 4.2Å; A593-L647 HydrophobicContact CB-CD1 4.37Å; E595-L647 HydrophobicContact CB-CD1 3.82Å; E595-L647 HydrophobicContact CB-CG 4.4Å; E595-L647 HydrophobicContact CG-CD1 4.15Å; E595-L647 HydrophobicContact CG-CG 4.19Å; V601-L647 HydrophobicContact CG2-CD1 4.17Å; I644-L647 HydrophobicContact CG2-CB 3.77Å; I644-L647 HydrophobicContact CG2-CG 4.43Å; L647-S649 PolarHBondContact O-N 3.04Å; L647-S650 PolarHBondContact O-N 2.89Å; L647-S650 PolarHBondContact O-OG 3.43Å; L647-L651 HydrophobicContact CB-CD1 4.1Å; L647-L651 HydrophobicContact CB-CG 4.2Å; L647-L651 WeakPolarHBondContact O-CG 3.33Å; L647-L651 PolarHBondContact O-N 3.16Å; L647-L651 VanDerWaalsContact O-N 3.17Å; L647-I806 HydrophobicContact CD2-CD1 3.79Å; L647-I806 HydrophobicContact CD2-CG2 3.58Å
648S77.4Confident84.8Confident37 Ų3743.9 Ų43.926%0.25924%0.235SC..THydrogen-bonded Turntrans-62.6-26.2-167.865.40000113.9E640E640-S648 WeakPolarHBondContact OE1-CB 3.13Å; E640-S648 PolarHBondContact OE1-OG 3.04Å
649S74.4Confident85Confident117 Ų11743.6 Ų43.682%0.81823%0.228SC*.THydrogen-bonded Turntrans-80.3-19.6175.159.10000114.8L647L647-S649 PolarHBondContact O-N 3.04Å
650S78.5Confident85.3Confident47 Ų4743.2 Ų43.233%0.32923%0.225SC..THydrogen-bonded Turntrans-98.7-16.9-178.558.80000113.6L647 I812L647-S650 PolarHBondContact O-N 2.89Å; L647-S650 PolarHBondContact O-OG 3.43Å; S650-I812 WeakPolarHBondContact O-CD1 3.09Å
651L83.6Confident85.5Confident12 Ų1241.6 Ų41.66%0.06322%0.223CC..SBendtrans-77.6145.4180-69.4169.6000112A593 V601 Y603 P639 I644 L647 Q653 Y657A593-L651 HydrophobicContact CB-CD2 3.75Å; V601-L651 HydrophobicContact CG1-CD1 4.08Å; V601-L651 HydrophobicContact CG1-CD2 4.31Å; Y603-L651 HydrophobicContact CD1-CD2 4.02Å; Y603-L651 HydrophobicContact CE1-CD2 4.12Å; P639-L651 HydrophobicContact CB-CD1 4.08Å; P639-L651 HydrophobicContact CG-CD1 4.03Å; I644-L651 HydrophobicContact CD1-CD1 4.49Å; I644-L651 HydrophobicContact CG2-CD1 4.11Å; L647-L651 HydrophobicContact CB-CD1 4.1Å; L647-L651 HydrophobicContact CB-CG 4.2Å; L647-L651 WeakPolarHBondContact O-CG 3.33Å; L647-L651 PolarHBondContact O-N 3.16Å; L647-L651 VanDerWaalsContact O-N 3.17Å; L651-Q653 PolarHBondContact O-N 3.36Å; L651-Y657 HydrophobicContact CB-CE1 3.92Å; L651-Y657 HydrophobicContact CD1-CD1 4.05Å; L651-Y657 HydrophobicContact CD1-CE1 4.16Å
652P82.8Confident85.8Confident11 Ų1138.3 Ų38.37%0.07121%0.209CC..PPolyproline II helixtrans-60.6137.5176.1-21.332.9000111.2Y603 Y657 I812 L815Y603-P652 HydrophobicContact CD2-CG 4.32Å; Y603-P652 HydrophobicContact CE2-CG 3.72Å; P652-Y657 PolarHBondContact O-OH 2.94Å; P652-I812 HydrophobicContact CG-CG1 4.31Å; P652-L815 HydrophobicContact CB-CD1 3.9Å; P652-L815 HydrophobicContact CG-CD1 3.87Å
653Q81.4Confident86.2Confident154 Ų15437.9 Ų37.972%0.7221%0.207SC*.SBendtrans-72.5165.3177.4-64.4-176.9-6.400111.9L651 C655L651-Q653 PolarHBondContact O-N 3.36Å; Q653-C655 VanDerWaalsContact C-N 3.31Å; Q653-C655 PolarHBondContact O-N 2.91Å
654H83.9Confident86.7Confident145 Ų14537.3 Ų37.367%0.67120%0.2SC*.SBendtrans59.635.2177.9-51.8-63.6000114.7
655C89.8Confident87.1Confident4 Ų441.1 Ų41.13%0.02722%0.217CC..  trans-112.1164173.7-600000110.4Y603 T604 Q653 Y657Y603-C655 HydrophobicContact CD2-CB 4.49Å; T604-C655 VanDerWaalsContact O-CA 3.31Å; T604-C655 WeakPolarHBondContact O-CA 3.4Å; T604-C655 WeakPolarHBondContact O-CB 3.02Å; Q653-C655 VanDerWaalsContact C-N 3.31Å; Q653-C655 PolarHBondContact O-N 2.91Å; C655-Y657 HydrophobicContact CB-CE1 3.84Å; C655-Y657 HydrophobicContact CB-CE2 4.35Å; C655-Y657 VanDerWaalsContact O-CE2 3.3Å; C655-Y657 WeakPolarHBondContact O-CE2 3.25Å
656L92.9Very high87.4Confident20 Ų2036.7 Ų36.711%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-96132.6160-58.7-171.1000109.2Y603 T604 Q617 A618 N635 R636 E637Y603-L656 CarbonylContact C-O 3.01Å; Y603-L656 VanDerWaalsContact CA-O 3.23Å; Y603-L656 WeakPolarHBondContact CA-O 3.32Å; T604-L656 PolarHBondContact N-O 3.43Å; T604-L656 PolarHBondContact O-N 3.24Å; Q617-L656 HydrophobicContact CG-CD1 4.16Å; A618-L656 WeakPolarHBondContact O-CD1 3.09Å; N635-L656 HydrophobicContact CB-CB 4.43Å; N635-L656 HydrophobicContact CB-CD1 4.12Å; R636-L656 CarbonylContact O-C 3.53Å; R636-L656 WeakPolarHBondContact O-CA 3.46Å; E637-L656 HydrophobicContact CB-CD2 4.45Å; E637-L656 HydrophobicContact CG-CD2 3.71Å
657Y93.4Very high87.6Confident8 Ų842.7 Ų42.73%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-108.2146.7-176.5-49.1-84.8000111.1I602 N635 R636 E637 P639 T642 L651 P652 C655I602-Y657 CarbonylContact O-C 3.32Å; I602-Y657 WeakPolarHBondContact O-CA 3.4Å; N635-Y657 CarbonylContact C-O 3.53Å; N635-Y657 VanDerWaalsContact CA-O 3.29Å; N635-Y657 WeakPolarHBondContact CA-O 3.5Å; N635-Y657 PolarHBondContact N-O 2.92Å; R636-Y657 PolarHBondContact N-O 2.83Å; R636-Y657 WeakPolarHBondContact O-CD2 3.43Å; R636-Y657 PolarHBondContact O-N 2.81Å; E637-Y657 WeakPolarHBondContact O-CE2 3.29Å; P639-Y657 HydrophobicContact CB-CD2 4.48Å; P639-Y657 HydrophobicContact CB-CG 4.49Å; P639-Y657 HydrophobicContact CG-CD1 4.22Å; P639-Y657 HydrophobicContact CG-CD2 3.87Å; P639-Y657 HydrophobicContact CG-CE1 4.09Å; P639-Y657 HydrophobicContact CG-CE2 3.71Å; P639-Y657 HydrophobicContact CG-CG 4.13Å; T642-Y657 WeakPolarHBondContact CG2-O 3.22Å; L651-Y657 HydrophobicContact CB-CE1 3.92Å; L651-Y657 HydrophobicContact CD1-CD1 4.05Å; L651-Y657 HydrophobicContact CD1-CE1 4.16Å; P652-Y657 PolarHBondContact O-OH 2.94Å; C655-Y657 HydrophobicContact CB-CE1 3.84Å; C655-Y657 HydrophobicContact CB-CE2 4.35Å; C655-Y657 VanDerWaalsContact O-CE2 3.3Å; C655-Y657 WeakPolarHBondContact O-CE2 3.25Å
658T94.3Very high88Confident1 Ų149.2 Ų49.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-138125.4170.4-64.70000109I602 V620 F623 M634 N635 L660I602-T658 PolarHBondContact N-O 3.02Å; I602-T658 PolarHBondContact O-N 3.27Å; V620-T658 HydrophobicContact CG2-CG2 4.19Å; V620-T658 WeakPolarHBondContact CG2-OG1 3.45Å; F623-T658 HydrophobicContact CE2-CG2 4.02Å; F623-T658 HydrophobicContact CZ-CG2 4.25Å; M634-T658 HydrophobicContact CB-CG2 4.21Å; M634-T658 HydrophobicContact CG-CG2 3.8Å; N635-T658 PolarHBondContact N-OG1 2.86Å; T658-L660 HydrophobicContact CG2-CD2 3.97Å
659R93.6Very high88.7Confident46 Ų4652.8 Ų52.817%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-96117.6178.6-170.8-179.4-176-101.11.1110.2E595 V599 T642 I644E595-R659 IonicContact OE2-CZ 2.63Å; E595-R659 VanDerWaalsContact OE2-CZ 3.31Å; E595-R659 IonicContact OE2-NE 2.77Å; E595-R659 PolarHBondContact OE2-NE 2.83Å; E595-R659 IonicContact OE2-NH2 3.75Å; E595-R659 PolarHBondContact OE2-NH2 3.03Å; V599-R659 HydrophobicContact CG1-CG 4.06Å; T642-R659 WeakPolarHBondContact O-CB 3.38Å; T642-R659 VanDerWaalsContact O-CD 3.25Å; T642-R659 WeakPolarHBondContact O-CD 3.07Å; I644-R659 HydrophobicContact CD1-CB 4.1Å; I644-R659 HydrophobicContact CG1-CB 3.92Å; I644-R659 HydrophobicContact CG1-CG 3.92Å
660L93.5Very high89.6Confident0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-102.1104174.4-57.8-173.9000109.5V599 L600 I602 F623 V629 T658 L663 L670V599-L660 CarbonylContact C-O 3.56Å; V599-L660 WeakPolarHBondContact CA-O 3.38Å; L600-L660 HydrophobicContact CB-CB 4.42Å; L600-L660 HydrophobicContact CD2-CD1 4.45Å; L600-L660 PolarHBondContact N-O 3.42Å; L600-L660 WeakPolarHBondContact O-CA 3.18Å; L600-L660 PolarHBondContact O-N 2.64Å; I602-L660 HydrophobicContact CD1-CD1 3.5Å; I602-L660 VanDerWaalsContact CD1-CD1 3.5Å; I602-L660 HydrophobicContact CD1-CG 4.23Å; I602-L660 HydrophobicContact CG1-CD1 4.19Å; F623-L660 HydrophobicContact CD1-CD1 4.07Å; F623-L660 HydrophobicContact CD1-CD2 4.1Å; F623-L660 HydrophobicContact CD2-CD2 4.37Å; F623-L660 HydrophobicContact CE1-CD1 3.74Å; F623-L660 HydrophobicContact CE1-CD2 4.04Å; F623-L660 HydrophobicContact CE1-CG 4.45Å; F623-L660 HydrophobicContact CE2-CD2 4.31Å; F623-L660 HydrophobicContact CG-CD2 4.27Å; F623-L660 HydrophobicContact CZ-CD1 4.39Å; F623-L660 HydrophobicContact CZ-CD2 4.15Å; V629-L660 HydrophobicContact CG1-CD2 4.09Å; V629-L660 HydrophobicContact CG2-CD2 3.6Å; T658-L660 HydrophobicContact CG2-CD2 3.97Å; L660-L663 HydrophobicContact CB-CD2 4.36Å; L660-L670 HydrophobicContact CD1-CD2 3.82Å
661S91.5Very high90.3Very high44 Ų4447.8 Ų47.831%0.30823%0.226SC..  trans-90.5172.7171.572.40000110.9L663S661-L663 PolarHBondContact O-N 2.98Å
662S92.6Very high90.9Very high18 Ų1847.3 Ų47.313%0.12622%0.223CC..  trans63.431173-530000115.8N598 Q664 K665N598-S662 PolarHBondContact O-N 3.08Å; S662-Q664 PolarHBondContact O-N 3.04Å; S662-K665 WeakPolarHBondContact O-CB 3.31Å; S662-K665 PolarHBondContact O-N 2.78Å
663L93.4Very high91.4Very high0 Ų047.8 Ų47.80%023%0.226CC..G310 helixtrans-56.8-23.8-179.8-64174.8000113.7N598 L600 L627 L660 S661 K665 L666 P700 L701 I702 A703N598-L663 HydrophobicContact CB-CB 4.5Å; N598-L663 WeakPolarHBondContact O-CG 3.45Å; N598-L663 PolarHBondContact O-N 3.36Å; N598-L663 VanDerWaalsContact O-N 3.13Å; L600-L663 HydrophobicContact CB-CD1 3.72Å; L600-L663 HydrophobicContact CB-CD2 4.39Å; L627-L663 HydrophobicContact CD2-CD2 4.34Å; L660-L663 HydrophobicContact CB-CD2 4.36Å; S661-L663 PolarHBondContact O-N 2.98Å; L663-K665 PolarHBondContact O-N 3.35Å; L663-L666 VanDerWaalsContact O-CB 3.27Å; L663-L666 WeakPolarHBondContact O-CB 3.37Å; L663-L666 PolarHBondContact O-N 2.91Å; L663-L666 VanDerWaalsContact O-N 3.14Å; L663-P700 HydrophobicContact CD2-CG 4.43Å; L663-L701 HydrophobicContact CD1-CB 4.21Å; L663-L701 HydrophobicContact CD1-CD1 3.81Å; L663-L701 HydrophobicContact CD1-CG 4.42Å; L663-I702 HydrophobicContact CB-CG2 4.23Å; L663-A703 WeakPolarHBondContact O-CB 3.44Å
664Q92.3Very high92.1Very high1 Ų140.4 Ų40.41%0.00519%0.192CC..G310 helixtrans-62.4-21.1175.576.6-80.87.300113.6L375 E379 N598 S662 I702 L707L375-Q664 HydrophobicContact CD2-CG 4.11Å; E379-Q664 HydrophobicContact CB-CG 4.44Å; E379-Q664 VanDerWaalsContact CD-CG 3.4Å; E379-Q664 HydrophobicContact CG-CG 3.87Å; E379-Q664 WeakPolarHBondContact OE1-CG 3.16Å; E379-Q664 PolarHBondContact OE2-NE2 3.45Å; N598-Q664 VanDerWaalsContact CB-OE1 3.29Å; N598-Q664 PolarHBondContact ND2-OE1 2.84Å; S662-Q664 PolarHBondContact O-N 3.04Å; Q664-I702 HydrophobicContact CB-CG2 4.03Å; Q664-L707 HydrophobicContact CB-CB 4.25Å; Q664-L707 HydrophobicContact CB-CD1 4.11Å
665K91.3Very high92.6Very high80 Ų8034 Ų3435%0.34816%0.164SC..G310 helixtrans-81.2-18.1178-62.2-177.2-174166.20113E379 S662 L663 R667E379-K665 WeakPolarHBondContact OE1-CG 2.87Å; S662-K665 WeakPolarHBondContact O-CB 3.31Å; S662-K665 PolarHBondContact O-N 2.78Å; L663-K665 PolarHBondContact O-N 3.35Å; K665-R667 PolarHBondContact O-N 2.84Å
666L91.1Very high92.8Very high1 Ų133.9 Ų33.91%0.00516%0.162CC..  trans-64.7118.6-176.9-17273000110.7L627 L663 E668 L670 A703 H708L627-L666 HydrophobicContact CD1-CD1 4.24Å; L627-L666 HydrophobicContact CD2-CB 4.19Å; L627-L666 HydrophobicContact CD2-CD1 4.43Å; L627-L666 HydrophobicContact CG-CD1 4.19Å; L663-L666 VanDerWaalsContact O-CB 3.27Å; L663-L666 WeakPolarHBondContact O-CB 3.37Å; L663-L666 PolarHBondContact O-N 2.91Å; L663-L666 VanDerWaalsContact O-N 3.14Å; L666-E668 WeakPolarHBondContact CD2-O 2.84Å; L666-E668 VanDerWaalsContact CG-O 3.28Å; L666-E668 WeakPolarHBondContact CG-O 3.47Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CD2-CB 3.77Å; L666-A703 HydrophobicContact CB-CB 4.23Å; L666-A703 HydrophobicContact CD2-CB 4.06Å; L666-H708 PolarHBondContact O-CE1 3.31Å; L666-H708 VanDerWaalsContact O-CE1 3.26Å; L666-H708 PolarHBondContact O-ND1 2.77Å
667R87.4Confident92.7Very high150 Ų15035.1 Ų35.157%0.56617%0.167SC*.  trans-91.5-40.7-178-62.1-178.7-179.4177.12.8113K665 K699K665-R667 PolarHBondContact O-N 2.84Å; R667-K699 WeakPolarHBondContact O-CE 3.43Å; R667-K699 PolarHBondContact O-NZ 3.03Å
668E89.3Confident92.5Very high138 Ų13834.7 Ų34.765%0.64517%0.166SC*.SBendtrans-103.1-173.2-178.4-59.7-56.6151.200111.3L666 K699L666-E668 WeakPolarHBondContact CD2-O 2.84Å; L666-E668 VanDerWaalsContact CG-O 3.28Å; L666-E668 WeakPolarHBondContact CG-O 3.47Å; E668-K699 WeakPolarHBondContact O-CE 2.96Å
669E91.9Very high92.1Very high112 Ų11235.5 Ų35.552%0.52317%0.171SC..  trans-69.4145171.9-63-179.6164.100110.9V671 N696E669-V671 PolarHBondContact O-N 3.35Å; E669-V671 VanDerWaalsContact O-N 3.11Å; E669-N696 PolarHBondContact OE2-ND2 2.78Å
670L92.9Very high91.7Very high0 Ų035.1 Ų35.10%017%0.171CC..  trans-77.6100177.7-176.753.8000109.5L600 F623 L627 L660 L666 F672 I697 G698 P700L600-L670 HydrophobicContact CD2-CD2 4.31Å; F623-L670 HydrophobicContact CD1-CD1 4.13Å; L627-L670 HydrophobicContact CD1-CD1 3.73Å; L660-L670 HydrophobicContact CD1-CD2 3.82Å; L666-L670 HydrophobicContact CD1-CD1 4.43Å; L666-L670 HydrophobicContact CD2-CB 3.77Å; L670-F672 HydrophobicContact CG-CD1 4.32Å; L670-I697 HydrophobicContact CB-CD1 4.47Å; L670-I697 HydrophobicContact CB-CG1 3.95Å; L670-I697 HydrophobicContact CD2-CD1 3.67Å; L670-I697 HydrophobicContact CD2-CG1 4.08Å; L670-I697 HydrophobicContact CG-CD1 4.17Å; L670-I697 HydrophobicContact CG-CG1 4.06Å; L670-I697 PolarHBondContact O-N 2.92Å; L670-I697 VanDerWaalsContact O-N 3.11Å; L670-G698 WeakPolarHBondContact CB-O 3.47Å; L670-G698 PolarHBondContact N-O 2.96Å; L670-P700 HydrophobicContact CD2-CG 3.97Å
671V93.9Very high91Very high59 Ų5939 Ų3936%0.35820%0.203SC..EExtended strand (participates in β ladder)trans-108136173.3-1740000109.2E669 S694 V695 N696E669-V671 PolarHBondContact O-N 3.35Å; E669-V671 VanDerWaalsContact O-N 3.11Å; V671-S694 WeakPolarHBondContact CG1-OG 3.38Å; V671-V695 VanDerWaalsContact CA-O 3.29Å; V671-V695 WeakPolarHBondContact CA-O 3.48Å; V671-N696 HydrophobicContact CG2-CB 4.02Å
672F94.9Very high90Very high1 Ų141.6 Ų41.60%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-150169.5174.461.4-86.7000110.7L590 F592 I602 V620 F623 L670 V674 V695 I697L590-F672 HydrophobicContact CD1-CE2 4.42Å; L590-F672 HydrophobicContact CD2-CE2 3.93Å; L590-F672 HydrophobicContact CD2-CZ 3.8Å; F592-F672 HydrophobicContact CE1-CZ 4.37Å; I602-F672 HydrophobicContact CD1-CE1 3.96Å; I602-F672 HydrophobicContact CD1-CE2 4.4Å; I602-F672 HydrophobicContact CD1-CZ 3.87Å; V620-F672 HydrophobicContact CB-CD2 4.2Å; V620-F672 HydrophobicContact CB-CE2 4.48Å; V620-F672 HydrophobicContact CG1-CD2 4Å; V620-F672 HydrophobicContact CG1-CE2 3.82Å; F623-F672 HydrophobicContact CD1-CB 3.52Å; F623-F672 HydrophobicContact CD1-CD1 4.27Å; F623-F672 HydrophobicContact CD1-CG 4.03Å; F623-F672 HydrophobicContact CE1-CB 3.42Å; F623-F672 VanDerWaalsContact CE1-CB 3.42Å; F623-F672 AromaticContact CE1-CD1 3.69Å; F623-F672 HydrophobicContact CE1-CD1 3.69Å; F623-F672 AromaticContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CD2 3.98Å; F623-F672 HydrophobicContact CE1-CE1 4.4Å; F623-F672 AromaticContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CE1-CG 3.43Å; F623-F672 VanDerWaalsContact CE1-CG 3.43Å; F623-F672 HydrophobicContact CG-CB 4.22Å; F623-F672 HydrophobicContact CZ-CB 4.05Å; F623-F672 HydrophobicContact CZ-CD2 4.11Å; F623-F672 HydrophobicContact CZ-CG 4.02Å; L670-F672 HydrophobicContact CG-CD1 4.32Å; F672-V674 HydrophobicContact CD2-CG2 4.46Å; F672-V674 HydrophobicContact CE2-CG2 4.07Å; F672-V695 HydrophobicContact CD2-CB 4.44Å; F672-V695 HydrophobicContact CE1-CB 4.38Å; F672-V695 HydrophobicContact CE1-CG1 3.96Å; F672-V695 HydrophobicContact CE2-CB 4.13Å; F672-V695 HydrophobicContact CE2-CG1 4.23Å; F672-V695 HydrophobicContact CZ-CB 4.1Å; F672-V695 HydrophobicContact CZ-CG1 3.73Å; F672-V695 PolarHBondContact N-O 2.67Å; F672-V695 PolarHBondContact O-N 2.75Å; F672-I697 HydrophobicContact CE1-CD1 4.04Å; F672-I697 HydrophobicContact CE1-CG1 4.18Å; F672-I697 HydrophobicContact CE1-CG2 4.42Å
673T94.7Very high88.9Confident21 Ų2146.6 Ų46.613%0.12925%0.249CC..EExtended strand (participates in β ladder)trans-109.9129.8-178.2-56.10000110.3V620 T621 D622 T692V620-T673 CarbonylContact C-O 3.42Å; V620-T673 WeakPolarHBondContact CA-O 3.42Å; T621-T673 HydrophobicContact CG2-CG2 4.34Å; T621-T673 PolarHBondContact N-O 2.97Å; T621-T673 PolarHBondContact O-N 3.01Å; D622-T673 VanDerWaalsContact OD2-CB 3.26Å; D622-T673 WeakPolarHBondContact OD2-CB 3.43Å; D622-T673 PolarHBondContact OD2-OG1 3.44Å; T673-T692 HydrophobicContact CG2-CG2 3.98Å
674V95.7Very high87.3Confident0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-92.3114.8164.1-177.40000108L580 F582 I588 L590 V620 F672 T692 K693 V695L580-V674 HydrophobicContact CD1-CB 3.89Å; L580-V674 HydrophobicContact CD1-CG1 4.06Å; L580-V674 HydrophobicContact CD1-CG2 3.64Å; F582-V674 HydrophobicContact CZ-CG1 4.18Å; I588-V674 HydrophobicContact CD1-CG1 4.28Å; L590-V674 HydrophobicContact CD2-CG2 4.17Å; V620-V674 HydrophobicContact CG1-CG2 4.2Å; F672-V674 HydrophobicContact CD2-CG2 4.46Å; F672-V674 HydrophobicContact CE2-CG2 4.07Å; V674-T692 WeakPolarHBondContact O-CA 3.33Å; V674-K693 PolarHBondContact N-O 3.27Å; V674-K693 PolarHBondContact O-N 2.6Å; V674-V695 HydrophobicContact CG2-CG2 3.8Å
675C94.4Very high85.9Confident11 Ų1160.2 Ų60.27%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-102.6124.8177.7-174.40000109.7A618 H619 T621 W691 T692A618-C675 CarbonylContact C-O 3.59Å; A618-C675 WeakPolarHBondContact CA-O 3.48Å; H619-C675 PolarHBondContact CE1-SG 3.07Å; H619-C675 PolarHBondContact N-O 2.94Å; H619-C675 VanDerWaalsContact NE2-CB 3.32Å; H619-C675 WeakPolarHBondContact NE2-CB 3.41Å; H619-C675 PolarHBondContact NE2-SG 2.65Å; H619-C675 PolarHBondContact O-N 3.17Å; T621-C675 HydrophobicContact CG2-CB 4.42Å; C675-W691 CarbonylContact C-O 3.48Å; C675-W691 WeakPolarHBondContact CA-O 3.32Å; C675-T692 HydrophobicContact CB-CG2 4.32Å
676L93.2Very high84.7Confident0 Ų062.7 Ų62.70%034%0.339CS..EExtended strand (participates in β ladder)trans-104.9125.1173.4179.665.1000108.7F582 A586 I588 C616 Q617 A618 F690 W691F582-L676 HydrophobicContact CB-CD2 3.97Å; F582-L676 HydrophobicContact CD1-CB 4.07Å; F582-L676 HydrophobicContact CD1-CD2 4.03Å; F582-L676 HydrophobicContact CD2-CD2 4.14Å; F582-L676 HydrophobicContact CE1-CB 3.83Å; F582-L676 HydrophobicContact CG-CB 4.49Å; F582-L676 HydrophobicContact CG-CD2 3.77Å; F582-L676 HydrophobicContact CZ-CB 4.11Å; A586-L676 HydrophobicContact CB-CD2 3.64Å; I588-L676 HydrophobicContact CD1-CB 3.99Å; I588-L676 HydrophobicContact CD1-CD1 3.68Å; I588-L676 HydrophobicContact CD1-CD2 4.3Å; I588-L676 HydrophobicContact CD1-CG 4.19Å; I588-L676 HydrophobicContact CG1-CD1 4.45Å; C616-L676 WeakPolarHBondContact SG-CD1 3.45Å; Q617-L676 WeakPolarHBondContact O-CD1 3.32Å; A618-L676 HydrophobicContact CB-CD1 4.36Å; L676-F690 CarbonylContact O-C 3.57Å; L676-F690 WeakPolarHBondContact O-CA 3.39Å; L676-W691 HydrophobicContact CB-CB 4.38Å; L676-W691 HydrophobicContact CB-CE3 4.39Å; L676-W691 HydrophobicContact CD2-CE3 4.03Å; L676-W691 HydrophobicContact CG-CE3 4.09Å; L676-W691 PolarHBondContact N-O 2.82Å; L676-W691 PolarHBondContact O-N 2.92Å
677Q91.7Very high84.1Confident46 Ų4669.1 Ų69.122%0.21537%0.369CS..EExtended strand (participates in β ladder)trans-109.3131.9173.1-176.9178.8-14.700109.1F615 C616 Q617 P688 I689 F690F615-Q677 HydrophobicContact CE1-CG 4.25Å; C616-Q677 CarbonylContact C-O 3.55Å; C616-Q677 WeakPolarHBondContact CA-O 3.38Å; Q617-Q677 PolarHBondContact N-O 2.71Å; Q617-Q677 PolarHBondContact O-N 2.87Å; Q677-P688 HydrophobicContact CG-CB 3.63Å; Q677-P688 VanDerWaalsContact NE2-CB 3.27Å; Q677-I689 WeakPolarHBondContact CA-O 3.3Å; Q677-F690 HydrophobicContact CB-CD1 4.02Å; Q677-F690 HydrophobicContact CB-CE1 3.9Å; Q677-F690 HydrophobicContact CG-CD1 4.09Å; Q677-F690 HydrophobicContact CG-CE1 3.61Å; Q677-F690 HydrophobicContact CG-CZ 4.07Å
678G88.6Confident83.8Confident0 Ų064.3 Ų64.30%036%0.357CS..EExtended strand (participates in β ladder)trans-148.7155.117400000114.4F615 I689F615-G678 WeakPolarHBondContact O-CA 3.14Å; G678-I689 PolarHBondContact N-O 2.75Å; G678-I689 PolarHBondContact O-N 2.63Å
679T87.2Confident83.8Confident18 Ų1860.9 Ų60.911%0.1134%0.342CS..EExtended strand (participates in β ladder)trans-125146.817259.30000109.7M613 S614 F615 P688M613-T679 CarbonylContact C-O 3.5Å; M613-T679 WeakPolarHBondContact CA-O 3.23Å; M613-T679 WeakPolarHBondContact CG-O 3.43Å; S614-T679 PolarHBondContact N-O 3Å; S614-T679 PolarHBondContact OG-O 3.35Å; S614-T679 PolarHBondContact OG-OG1 3.37Å; S614-T679 VanDerWaalsContact OG-OG1 3.12Å; F615-T679 WeakPolarHBondContact CB-OG1 3.27Å; F615-T679 PolarHBondContact N-O 3.3Å; F615-T679 PolarHBondContact O-N 3.36Å; F615-T679 VanDerWaalsContact O-N 3.09Å; T679-P688 HydrophobicContact CG2-CB 4.25Å
680F84.1Confident83.7Confident38 Ų3860.8 Ų60.817%0.16734%0.341CS..EExtended strand (participates in β ladder)trans-107.9140.2-178-70-86.9000110.9D612 M613 A682 M683 I689 W691D612-F680 HydrophobicContact CB-CD1 4.22Å; D612-F680 WeakPolarHBondContact O-CA 3.46Å; D612-F680 WeakPolarHBondContact OD2-CD1 3.34Å; D612-F680 WeakPolarHBondContact OD2-CE1 3.33Å; M613-F680 HydrophobicContact CB-CD1 4.24Å; M613-F680 HydrophobicContact CB-CE1 4.16Å; M613-F680 HydrophobicContact CE-CE1 4.05Å; M613-F680 HydrophobicContact CE-CE2 4.11Å; M613-F680 HydrophobicContact CE-CZ 3.62Å; F680-A682 PolarHBondContact O-N 3.46Å; F680-A682 VanDerWaalsContact O-N 3.09Å; F680-M683 HydrophobicContact CB-CG 4.37Å; F680-M683 PolarHBondContact O-N 3.32Å; F680-I689 HydrophobicContact CD2-CD1 4.05Å; F680-I689 HydrophobicContact CE2-CD1 4.02Å; F680-W691 AromaticContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CZ2 4.22Å; F680-W691 HydrophobicContact CZ-CH2 4.17Å; F680-W691 HydrophobicContact CZ-CZ2 4.5Å
681A78.1Confident83.7Confident82 Ų8263.1 Ų63.168%0.67835%0.349SS*.THydrogen-bonded Turntrans-64.2-17-176.900000114D612D612-A681 PolarHBondContact O-N 3.13Å
682A71.6Confident83.7Confident97 Ų9765 Ų6580%0.80236%0.361SS*.THydrogen-bonded Turntrans-91.9-1.6-179.400000114.3F680F680-A682 PolarHBondContact O-N 3.46Å; F680-A682 VanDerWaalsContact O-N 3.09Å
683M69.1Low83.7Confident123 Ų12368.4 Ų68.461%0.60638%0.376SS*.  trans-100.8120.7178.9-72-89.7-175.900109.5F680 D685F680-M683 HydrophobicContact CB-CG 4.37Å; F680-M683 PolarHBondContact O-N 3.32Å; M683-D685 VanDerWaalsContact C-N 3.25Å; M683-D685 PolarHBondContact O-N 2.73Å
684D60.5Low83.7Confident169 Ų16971.9 Ų71.990%0.90440%0.401SS*.THydrogen-bonded Turntrans-71.1-12.9-177.2-81.7-31.1000114.4
685D63.3Low83.6Confident119 Ų11972.1 Ų72.164%0.63640%0.402SS*.THydrogen-bonded Turntrans-102.35.6-168.2-81.5-31.3000115.8M683 H687M683-D685 VanDerWaalsContact C-N 3.25Å; M683-D685 PolarHBondContact O-N 2.73Å; D685-H687 PolarHBondContact O-N 3.03Å
686D65.5Low83.6Confident131 Ų13175.5 Ų75.570%0.70142%0.42SS*.  trans49.115.1-179.5-88.5-24.9000115.1P688D686-P688 WeakPolarHBondContact O-CD 3.33Å
687H78.4Confident83.6Confident137 Ų13776.8 Ų76.863%0.63443%0.427SS*.PPolyproline II helixtrans-73.2120.9-175.4-79-38.7000110.4D685 I689D685-H687 PolarHBondContact O-N 3.03Å; H687-I689 PolarHBondContact O-N 2.9Å
688P81.3Confident83.6Confident49 Ų4975.5 Ų75.532%0.31843%0.425SS..PPolyproline II helixtrans-70.1130.3178.925.9-31.1000111.2Q677 T679 D686 F690Q677-P688 HydrophobicContact CG-CB 3.63Å; Q677-P688 VanDerWaalsContact NE2-CB 3.27Å; T679-P688 HydrophobicContact CG2-CB 4.25Å; D686-P688 WeakPolarHBondContact O-CD 3.33Å; P688-F690 HydrophobicContact CB-CE2 3.99Å; P688-F690 HydrophobicContact CB-CZ 3.95Å; P688-F690 HydrophobicContact CG-CE2 3.87Å; P688-F690 HydrophobicContact CG-CZ 3.87Å; P688-F690 WeakPolarHBondContact O-CD2 3.16Å; P688-F690 WeakPolarHBondContact O-CE2 3.1Å
689I88.6Confident83.7Confident65 Ų6578.1 Ų78.133%0.33344%0.437SS..EExtended strand (participates in β ladder)trans-92.2138.1169.9-57.1175000107.8Q677 G678 F680 H687 W691Q677-I689 WeakPolarHBondContact CA-O 3.3Å; G678-I689 PolarHBondContact N-O 2.75Å; G678-I689 PolarHBondContact O-N 2.63Å; F680-I689 HydrophobicContact CD2-CD1 4.05Å; F680-I689 HydrophobicContact CE2-CD1 4.02Å; H687-I689 PolarHBondContact O-N 2.9Å; I689-W691 HydrophobicContact CB-CH2 3.66Å; I689-W691 HydrophobicContact CB-CZ2 4.07Å; I689-W691 HydrophobicContact CB-CZ3 4.03Å; I689-W691 HydrophobicContact CG2-CD2 4.29Å; I689-W691 HydrophobicContact CG2-CE3 4.36Å; I689-W691 HydrophobicContact CG2-CH2 3.56Å; I689-W691 HydrophobicContact CG2-CZ2 3.43Å; I689-W691 VanDerWaalsContact CG2-CZ2 3.43Å; I689-W691 HydrophobicContact CG2-CZ3 4.02Å; I689-W691 WeakPolarHBondContact O-CZ3 3.37Å
690F90.5Very high83.9Confident111 Ų11177.5 Ų77.549%0.48743%0.433SS..EExtended strand (participates in β ladder)trans-114.1135.1-178.8-61.1-88.8000110.5L676 Q677 P688L676-F690 CarbonylContact O-C 3.57Å; L676-F690 WeakPolarHBondContact O-CA 3.39Å; Q677-F690 HydrophobicContact CB-CD1 4.02Å; Q677-F690 HydrophobicContact CB-CE1 3.9Å; Q677-F690 HydrophobicContact CG-CD1 4.09Å; Q677-F690 HydrophobicContact CG-CE1 3.61Å; Q677-F690 HydrophobicContact CG-CZ 4.07Å; P688-F690 HydrophobicContact CB-CE2 3.99Å; P688-F690 HydrophobicContact CB-CZ 3.95Å; P688-F690 HydrophobicContact CG-CE2 3.87Å; P688-F690 HydrophobicContact CG-CZ 3.87Å; P688-F690 WeakPolarHBondContact O-CD2 3.16Å; P688-F690 WeakPolarHBondContact O-CE2 3.1Å
691W93.4Very high84.2Confident48 Ų4875.8 Ų75.818%0.18243%0.425CS..EExtended strand (participates in β ladder)trans-122.3141.7167.7-58.2-95.4000109.2F582 C584 M613 C675 L676 F680 I689F582-W691 HydrophobicContact CD1-CB 3.5Å; F582-W691 HydrophobicContact CD1-CG 4.32Å; F582-W691 HydrophobicContact CE1-CB 3.9Å; C584-W691 HydrophobicContact CB-CD2 4.28Å; C584-W691 HydrophobicContact CB-CH2 3.91Å; C584-W691 HydrophobicContact CB-CZ2 3.47Å; C584-W691 VanDerWaalsContact CB-CZ2 3.47Å; C584-W691 HydrophobicContact CB-CZ3 4.47Å; M613-W691 HydrophobicContact CE-CH2 3.85Å; M613-W691 HydrophobicContact CE-CZ3 3.96Å; C675-W691 CarbonylContact C-O 3.48Å; C675-W691 WeakPolarHBondContact CA-O 3.32Å; L676-W691 HydrophobicContact CB-CB 4.38Å; L676-W691 HydrophobicContact CB-CE3 4.39Å; L676-W691 HydrophobicContact CD2-CE3 4.03Å; L676-W691 HydrophobicContact CG-CE3 4.09Å; L676-W691 PolarHBondContact N-O 2.82Å; L676-W691 PolarHBondContact O-N 2.92Å; F680-W691 AromaticContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CH2 3.78Å; F680-W691 HydrophobicContact CE2-CZ2 4.22Å; F680-W691 HydrophobicContact CZ-CH2 4.17Å; F680-W691 HydrophobicContact CZ-CZ2 4.5Å; I689-W691 HydrophobicContact CB-CH2 3.66Å; I689-W691 HydrophobicContact CB-CZ2 4.07Å; I689-W691 HydrophobicContact CB-CZ3 4.03Å; I689-W691 HydrophobicContact CG2-CD2 4.29Å; I689-W691 HydrophobicContact CG2-CE3 4.36Å; I689-W691 HydrophobicContact CG2-CH2 3.56Å; I689-W691 HydrophobicContact CG2-CZ2 3.43Å; I689-W691 VanDerWaalsContact CG2-CZ2 3.43Å; I689-W691 HydrophobicContact CG2-CZ3 4.02Å; I689-W691 WeakPolarHBondContact O-CZ3 3.37Å
692T93.8Very high84.8Confident98 Ų9872 Ų7260%0.60139%0.394SS*.EExtended strand (participates in β ladder)trans-125.6142.7-18055.50000110.7T673 V674 C675T673-T692 HydrophobicContact CG2-CG2 3.98Å; V674-T692 WeakPolarHBondContact O-CA 3.33Å; C675-T692 HydrophobicContact CB-CG2 4.32Å
693K93.9Very high85.6Confident74 Ų7467.4 Ų67.432%0.32236%0.356SS..EExtended strand (participates in β ladder)trans-131.6125.9168.4-77.3-164.7165.7-156.50109.7L580 N581 F582 V674L580-K693 HydrophobicContact CD2-CD 4.37Å; N581-K693 WeakPolarHBondContact O-CE 3.44Å; N581-K693 PolarHBondContact O-NZ 2.89Å; F582-K693 HydrophobicContact CD1-CG 4.4Å; F582-K693 HydrophobicContact CE1-CB 4.32Å; F582-K693 HydrophobicContact CE1-CD 4.29Å; F582-K693 HydrophobicContact CE1-CG 3.85Å; F582-K693 HydrophobicContact CE2-CD 4.39Å; F582-K693 HydrophobicContact CZ-CB 4.17Å; F582-K693 HydrophobicContact CZ-CD 4.2Å; F582-K693 HydrophobicContact CZ-CG 4.02Å; V674-K693 PolarHBondContact N-O 3.27Å; V674-K693 PolarHBondContact O-N 2.6Å
694S94.6Very high86.5Confident93 Ų9366.9 Ų66.965%0.6535%0.347SS*.EExtended strand (participates in β ladder)trans-77.2134.8171.2-176.20000109.8V671V671-S694 WeakPolarHBondContact CG1-OG 3.38Å
695V94.6Very high87.5Confident5 Ų560 Ų603%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-122.5131.3-179.21730000108.3M578 L580 L590 V671 F672 V674 I697M578-V695 HydrophobicContact CE-CB 4.17Å; M578-V695 HydrophobicContact CE-CG1 3.54Å; M578-V695 HydrophobicContact CE-CG2 3.61Å; M578-V695 HydrophobicContact SD-CG1 3.51Å; M578-V695 VanDerWaalsContact SD-CG1 3.51Å; M578-V695 HydrophobicContact SD-CG2 4.49Å; L580-V695 HydrophobicContact CD1-CG2 3.96Å; L580-V695 HydrophobicContact CD2-CG2 4.44Å; L590-V695 HydrophobicContact CD2-CG1 4.05Å; L590-V695 HydrophobicContact CD2-CG2 4.27Å; V671-V695 VanDerWaalsContact CA-O 3.29Å; V671-V695 WeakPolarHBondContact CA-O 3.48Å; F672-V695 HydrophobicContact CD2-CB 4.44Å; F672-V695 HydrophobicContact CE1-CB 4.38Å; F672-V695 HydrophobicContact CE1-CG1 3.96Å; F672-V695 HydrophobicContact CE2-CB 4.13Å; F672-V695 HydrophobicContact CE2-CG1 4.23Å; F672-V695 HydrophobicContact CZ-CB 4.1Å; F672-V695 HydrophobicContact CZ-CG1 3.73Å; F672-V695 PolarHBondContact N-O 2.67Å; F672-V695 PolarHBondContact O-N 2.75Å; V674-V695 HydrophobicContact CG2-CG2 3.8Å; V695-I697 HydrophobicContact CG1-CG2 3.91Å
696N94.1Very high88.3Confident83 Ų8355.9 Ų55.944%0.44429%0.288SS..EExtended strand (participates in β ladder)trans-121.6119.7174-178.2-8.5000108.7E669 V671 G698E669-N696 PolarHBondContact OE2-ND2 2.78Å; V671-N696 HydrophobicContact CG2-CB 4.02Å; N696-G698 PolarHBondContact OD1-N 2.79Å
697I92.2Very high89Confident27 Ų2749.8 Ų49.814%0.13826%0.255CS..  trans-110.116.8178.859.1169.7000112.9P575 F592 L600 L670 F672 V695 P700P575-I697 HydrophobicContact CB-CB 4.08Å; P575-I697 HydrophobicContact CB-CG2 4.2Å; P575-I697 HydrophobicContact CG-CB 4.06Å; P575-I697 HydrophobicContact CG-CD1 3.83Å; P575-I697 HydrophobicContact CG-CG1 4.43Å; F592-I697 HydrophobicContact CD1-CD1 4.37Å; F592-I697 HydrophobicContact CE1-CD1 3.81Å; F592-I697 HydrophobicContact CE1-CG2 4.25Å; F592-I697 HydrophobicContact CE2-CG2 4.42Å; F592-I697 HydrophobicContact CZ-CD1 4.38Å; F592-I697 HydrophobicContact CZ-CG2 3.73Å; L600-I697 HydrophobicContact CD2-CD1 3.95Å; L670-I697 HydrophobicContact CB-CD1 4.47Å; L670-I697 HydrophobicContact CB-CG1 3.95Å; L670-I697 HydrophobicContact CD2-CD1 3.67Å; L670-I697 HydrophobicContact CD2-CG1 4.08Å; L670-I697 HydrophobicContact CG-CD1 4.17Å; L670-I697 HydrophobicContact CG-CG1 4.06Å; L670-I697 PolarHBondContact O-N 2.92Å; L670-I697 VanDerWaalsContact O-N 3.11Å; F672-I697 HydrophobicContact CE1-CD1 4.04Å; F672-I697 HydrophobicContact CE1-CG1 4.18Å; F672-I697 HydrophobicContact CE1-CG2 4.42Å; V695-I697 HydrophobicContact CG1-CG2 3.91Å; I697-P700 HydrophobicContact CD1-CG 4.36Å
698G91.8Very high88.8Confident18 Ų1846 Ų4619%0.18624%0.238CC..  trans64.7-141.9-179.600000112L670 N696 P700L670-G698 WeakPolarHBondContact CB-O 3.47Å; L670-G698 PolarHBondContact N-O 2.96Å; N696-G698 PolarHBondContact OD1-N 2.79Å; G698-P700 VanDerWaalsContact O-CD 3.3Å; G698-P700 WeakPolarHBondContact O-CD 3.41Å
699K90.8Very high88.3Confident56 Ų5650.7 Ų50.724%0.24325%0.249CC..SBendtrans-104.597.9175.7-74.3-176.9169.5-176.60109.9R667 E668 A703 R704 D706R667-K699 WeakPolarHBondContact O-CE 3.43Å; R667-K699 PolarHBondContact O-NZ 3.03Å; E668-K699 WeakPolarHBondContact O-CE 2.96Å; K699-A703 HydrophobicContact CB-CB 4.12Å; K699-R704 HydrophobicContact CB-CB 4.38Å; K699-D706 IonicContact NZ-OD1 2.8Å; K699-D706 PolarHBondContact NZ-OD1 3.13Å
700P91.1Very high86.9Confident4 Ų451.9 Ų51.93%0.02627%0.269CS..  trans-75.7150.6-177.731.8-36.6000111.8P575 L600 L663 L670 I697 G698 I702 A703P575-P700 HydrophobicContact CG-CB 4.07Å; L600-P700 HydrophobicContact CD2-CB 4.25Å; L600-P700 HydrophobicContact CD2-CG 4.11Å; L663-P700 HydrophobicContact CD2-CG 4.43Å; L670-P700 HydrophobicContact CD2-CG 3.97Å; I697-P700 HydrophobicContact CD1-CG 4.36Å; G698-P700 VanDerWaalsContact O-CD 3.3Å; G698-P700 WeakPolarHBondContact O-CD 3.41Å; P700-I702 PolarHBondContact O-N 2.85Å; P700-A703 VanDerWaalsContact O-CB 3.25Å; P700-A703 WeakPolarHBondContact O-CB 3.34Å; P700-A703 PolarHBondContact O-N 2.97Å; P700-A703 VanDerWaalsContact O-N 3.13Å
701L90.8Very high85.2Confident2 Ų249.4 Ų49.41%0.0126%0.263CS..G310 helixtrans49.8-131.6170.8-53.1175.3000112.7A571 H572 E573 L574 A594 S597 L600 L663 A703 R704A571-L701 CarbonylContact O-C 3.56Å; A571-L701 VanDerWaalsContact O-C 3.28Å; A571-L701 WeakPolarHBondContact O-CA 3.15Å; H572-L701 WeakPolarHBondContact O-CD2 3.39Å; E573-L701 PolarHBondContact O-N 3.11Å; L574-L701 HydrophobicContact CD2-CD1 4.38Å; L574-L701 HydrophobicContact CD2-CD2 3.87Å; L574-L701 HydrophobicContact CD2-CG 4.31Å; L574-L701 HydrophobicContact CG-CD2 4.07Å; A594-L701 HydrophobicContact CB-CD1 3.93Å; A594-L701 HydrophobicContact CB-CD2 4.17Å; S597-L701 WeakPolarHBondContact O-CB 3.47Å; L600-L701 HydrophobicContact CB-CD1 4.29Å; L600-L701 HydrophobicContact CD1-CD1 4.28Å; L663-L701 HydrophobicContact CD1-CB 4.21Å; L663-L701 HydrophobicContact CD1-CD1 3.81Å; L663-L701 HydrophobicContact CD1-CG 4.42Å; L701-A703 PolarHBondContact O-N 2.86Å; L701-A703 VanDerWaalsContact O-N 3.14Å; L701-R704 WeakPolarHBondContact O-CB 3.31Å; L701-R704 PolarHBondContact O-N 2.84Å
702I90.6Very high83.1Confident3 Ų355.5 Ų55.52%0.01529%0.286CS..G310 helixtrans-62.8-21.7-176.5-155.570.5000114V370 L372 A571 S597 N598 L663 Q664 P700 R704 L705 L707V370-I702 HydrophobicContact CG1-CD1 3.79Å; L372-I702 HydrophobicContact CD2-CB 4.24Å; L372-I702 HydrophobicContact CD2-CD1 4.15Å; L372-I702 HydrophobicContact CD2-CG1 3.85Å; L372-I702 HydrophobicContact CD2-CG2 4.34Å; A571-I702 HydrophobicContact CB-CD1 4.06Å; A571-I702 PolarHBondContact O-N 3.47Å; S597-I702 VanDerWaalsContact O-CB 3.22Å; S597-I702 WeakPolarHBondContact O-CB 3.36Å; S597-I702 WeakPolarHBondContact O-CG2 3.49Å; S597-I702 PolarHBondContact O-N 3.48Å; N598-I702 HydrophobicContact CB-CG2 3.64Å; L663-I702 HydrophobicContact CB-CG2 4.23Å; Q664-I702 HydrophobicContact CB-CG2 4.03Å; P700-I702 PolarHBondContact O-N 2.85Å; I702-R704 PolarHBondContact O-N 3.49Å; I702-R704 VanDerWaalsContact O-N 3.07Å; I702-L705 HydrophobicContact CD1-CD1 3.71Å; I702-L705 HydrophobicContact CD1-CG 4.32Å; I702-L705 PolarHBondContact O-N 3.26Å; I702-L707 HydrophobicContact CD1-CD1 4.16Å; I702-L707 HydrophobicContact CG1-CD1 3.45Å; I702-L707 VanDerWaalsContact CG1-CD1 3.45Å; I702-L707 HydrophobicContact CG1-CG 4.14Å
703A88.9Confident80.6Confident1 Ų162.1 Ų62.11%0.00830%0.3CS..G310 helixtrans-59-26.3-179.200000111.4L663 L666 K699 P700 L701 L705 D706L663-A703 WeakPolarHBondContact O-CB 3.44Å; L666-A703 HydrophobicContact CB-CB 4.23Å; L666-A703 HydrophobicContact CD2-CB 4.06Å; K699-A703 HydrophobicContact CB-CB 4.12Å; P700-A703 VanDerWaalsContact O-CB 3.25Å; P700-A703 WeakPolarHBondContact O-CB 3.34Å; P700-A703 PolarHBondContact O-N 2.97Å; P700-A703 VanDerWaalsContact O-N 3.13Å; L701-A703 PolarHBondContact O-N 2.86Å; L701-A703 VanDerWaalsContact O-N 3.14Å; A703-L705 PolarHBondContact O-N 3.35Å; A703-D706 PolarHBondContact O-N 2.91Å
704R87.6Confident78Confident112 Ų11266.2 Ų66.242%0.42333%0.325SS..G310 helixtrans-67.1-16.1177.4-159.3164.7-177.7178.5-3114.2K570 E573 K699 L701 I702K570-R704 HydrophobicContact CB-CG 4.26Å; K570-R704 WeakPolarHBondContact O-CB 3.28Å; K570-R704 WeakPolarHBondContact O-CD 3.23Å; E573-R704 IonicContact OE1-NH1 3.53Å; E573-R704 IonicContact OE2-CZ 2.84Å; E573-R704 IonicContact OE2-NH1 3.29Å; E573-R704 PolarHBondContact OE2-NH1 2.85Å; E573-R704 IonicContact OE2-NH2 2.75Å; K699-R704 HydrophobicContact CB-CB 4.38Å; L701-R704 WeakPolarHBondContact O-CB 3.31Å; L701-R704 PolarHBondContact O-N 2.84Å; I702-R704 PolarHBondContact O-N 3.49Å; I702-R704 VanDerWaalsContact O-N 3.07Å
705L82.9Confident75.5Confident24 Ų2463 Ų6313%0.12630%0.303CS..G310 helixtrans-90.2-2.7176.8-59.4-168.5000113.6E386 K570 A571 I702 A703 L707E386-L705 HydrophobicContact CB-CD1 4.25Å; E386-L705 HydrophobicContact CG-CD1 4.02Å; K570-L705 HydrophobicContact CB-CD2 4.3Å; A571-L705 HydrophobicContact CB-CD1 3.95Å; A571-L705 HydrophobicContact CB-CG 4.24Å; I702-L705 HydrophobicContact CD1-CD1 3.71Å; I702-L705 HydrophobicContact CD1-CG 4.32Å; I702-L705 PolarHBondContact O-N 3.26Å; A703-L705 PolarHBondContact O-N 3.35Å; L705-L707 HydrophobicContact CB-CD2 4.18Å; L705-L707 HydrophobicContact CB-CG 4.4Å; L705-L707 PolarHBondContact O-N 2.85Å
706D79.4Confident73.1Confident32 Ų3264 Ų6417%0.17131%0.309CS..  trans50.648.5179.5-66.5-24.9000113.9K699 A703 H708 R709K699-D706 IonicContact NZ-OD1 2.8Å; K699-D706 PolarHBondContact NZ-OD1 3.13Å; A703-D706 PolarHBondContact O-N 2.91Å; D706-H708 PolarHBondContact O-N 2.86Å; D706-H708 IonicContact OD1-CE1 3.96Å; D706-R709 HydrophobicContact CB-CG 4.19Å; D706-R709 PolarHBondContact O-N 3.09Å; D706-R709 VanDerWaalsContact O-N 3.11Å; D706-R709 IonicContact OD2-CZ 2.85Å; D706-R709 IonicContact OD2-NE 3.23Å; D706-R709 PolarHBondContact OD2-NE 3.3Å; D706-R709 IonicContact OD2-NH2 2.91Å; D706-R709 PolarHBondContact OD2-NH2 3.41Å
707L80.3Confident70.8Confident3 Ų362.7 Ų62.72%0.01630%0.302CS..THydrogen-bonded Turntrans-63.1-6.9-178.7-62.2-174000114.5L372 N382 A383 E386 Q664 I702 L705L372-L707 HydrophobicContact CD1-CD1 4.44Å; N382-L707 HydrophobicContact CB-CB 4.36Å; N382-L707 HydrophobicContact CB-CD2 3.95Å; N382-L707 PolarHBondContact ND2-O 2.82Å; A383-L707 HydrophobicContact CB-CD1 4.45Å; E386-L707 HydrophobicContact CG-CD2 3.99Å; Q664-L707 HydrophobicContact CB-CB 4.25Å; Q664-L707 HydrophobicContact CB-CD1 4.11Å; I702-L707 HydrophobicContact CD1-CD1 4.16Å; I702-L707 HydrophobicContact CG1-CD1 3.45Å; I702-L707 VanDerWaalsContact CG1-CD1 3.45Å; I702-L707 HydrophobicContact CG1-CG 4.14Å; L705-L707 HydrophobicContact CB-CD2 4.18Å; L705-L707 HydrophobicContact CB-CG 4.4Å; L705-L707 PolarHBondContact O-N 2.85Å
708H73.1Confident68.4Low58 Ų5868.9 Ų68.927%0.26933%0.331SS..THydrogen-bonded Turntrans-84.6-5.1175.757-93.9000113.8L666 D706L666-H708 PolarHBondContact O-CE1 3.31Å; L666-H708 VanDerWaalsContact O-CE1 3.26Å; L666-H708 PolarHBondContact O-ND1 2.77Å; D706-H708 PolarHBondContact O-N 2.86Å; D706-H708 IonicContact OD1-CE1 3.96Å
709R71.2Confident65.9Low147 Ų14772.2 Ų72.256%0.55535%0.348SS*.SBendtrans-63139.9179.1-77.8-175.4-167.3-155.76.5111.3N382 D706 V711N382-R709 PolarHBondContact ND2-O 3.25Å; N382-R709 VanDerWaalsContact ND2-O 3.08Å; D706-R709 HydrophobicContact CB-CG 4.19Å; D706-R709 PolarHBondContact O-N 3.09Å; D706-R709 VanDerWaalsContact O-N 3.11Å; D706-R709 IonicContact OD2-CZ 2.85Å; D706-R709 IonicContact OD2-NE 3.23Å; D706-R709 PolarHBondContact OD2-NE 3.3Å; D706-R709 IonicContact OD2-NH2 2.91Å; D706-R709 PolarHBondContact OD2-NH2 3.41Å; R709-V711 PolarHBondContact O-N 2.83Å
710A58.8Low63.2Low91 Ų9173.7 Ų73.775%0.75236%0.364SS*.  trans-52.9128169.900000109.4R712A710-R712 PolarHBondContact O-N 2.96Å; A710-R712 VanDerWaalsContact O-N 3.16Å
711V55.5Low60.4Low58 Ų5881.1 Ų81.135%0.35240%0.4SS..  trans-41.8120.8-177.3179.80000109.8R709 R713 S715R709-V711 PolarHBondContact O-N 2.83Å; V711-R713 PolarHBondContact O-N 2.89Å; V711-S715 WeakPolarHBondContact CG1-OG 3.27Å
712R49.8Very low57.6Low176 Ų17688.1 Ų88.166%0.66444%0.435SS*.  trans-55137.7-179.1-69.3-174.7-174.1-178.15.8108.5A710 N714 S715A710-R712 PolarHBondContact O-N 2.96Å; A710-R712 VanDerWaalsContact O-N 3.16Å; R712-N714 PolarHBondContact O-N 3.07Å; R712-S715 WeakPolarHBondContact O-CB 3.4Å; R712-S715 PolarHBondContact O-N 3.37Å; R712-S715 PolarHBondContact O-OG 2.5Å
713R40.2Very low54.7Low238 Ų23892.5 Ų92.590%0.89846%0.463SS*.THydrogen-bonded Turntrans-55.1-11.4177.5-85.5-179.2174.7165.9-1.5114.6V711V711-R713 PolarHBondContact O-N 2.89Å
714N39.6Very low51.8Low159 Ų159100.9 Ų100.985%0.8550%0.502SS*.THydrogen-bonded Turntrans-119.630.2175.4-63.7-6.2000112.7R712R712-N714 PolarHBondContact O-N 3.07Å
715S42Very low48.9Very low26 Ų26100.8 Ų100.818%0.18252%0.519CS..SBendtrans-76.3168.9174.477.20000111.8D385 V711 R712 L717D385-S715 WeakPolarHBondContact OD2-CB 3.07Å; V711-S715 WeakPolarHBondContact CG1-OG 3.27Å; R712-S715 WeakPolarHBondContact O-CB 3.4Å; R712-S715 PolarHBondContact O-N 3.37Å; R712-S715 PolarHBondContact O-OG 2.5Å; S715-L717 PolarHBondContact O-N 3.14Å
716C43.6Very low46.7Very low25 Ų25105 Ų10517%0.16955%0.548CS..THydrogen-bonded Turntrans-43.22-177.648.50000119.7D385 L437D385-C716 WeakPolarHBondContact OD1-CB 3.34Å; D385-C716 PolarHBondContact OD1-SG 3.24Å; L437-C716 HydrophobicContact CD1-CB 3.29Å
717L47.2Very low44.3Very low56 Ų56108.6 Ų108.629%0.29358%0.575SS.*THydrogen-bonded Turntrans-138.133.4-158.8-68.9150.9000116.5R381 S715 T719R381-L717 HydrophobicContact CB-CD1 4.49Å; R381-L717 VanDerWaalsContact CD-CD1 3.46Å; R381-L717 HydrophobicContact CG-CD1 3.82Å; S715-L717 PolarHBondContact O-N 3.14Å; L717-T719 VanDerWaalsContact C-N 3.25Å
718Q41.9Very low41.6Very low158 Ų158117.7 Ų117.774%0.73862%0.617SS**THydrogen-bonded Turntrans-81.20.9161.1-101.3-172.8-4.800114.1C720Q718-C720 VanDerWaalsContact C-N 3.34Å; Q718-C720 PolarHBondContact O-N 2.86Å
719T38.8Very low39.5Very low88 Ų88120.5 Ų120.554%0.5464%0.643SS.*THydrogen-bonded Turntrans-82.7-3.2-177.645.50000115.2L717L717-T719 VanDerWaalsContact C-N 3.25Å
720C34.6Very low38.1Very low86 Ų86118.4 Ų118.458%0.58165%0.649SS**  trans-107.753.9169.9-660000111.4Q718Q718-C720 VanDerWaalsContact C-N 3.34Å; Q718-C720 PolarHBondContact O-N 2.86Å
721M31.9Very low36.4Very low161 Ų161119.9 Ų119.979%0.79365%0.653SS**  trans-103.4114161.3-72.5-70-7800108.4
722M30.8Very low35Very low149 Ų149125.2 Ų125.273%0.73467%0.673SS**  trans-102.5155.1165.8-77.8-65.7177.500110.5
723P29.5Very low33.8Very low95 Ų95122.2 Ų122.262%0.61768%0.679SS**  trans-89.6136-156.833.7-33.2000115.1
724H29.5Very low33.4Very low176 Ų176117.1 Ų117.182%0.81568%0.677SS**  trans69.6135.9156.5-47.1-47.7000117.8
725S26.3Very low32.7Very low111 Ų111112.7 Ų112.778%0.77667%0.669SS**  -174.1-170.164.5-57.60000111.5
726P37.5Very low32.2Very low113 Ų113117.1 Ų117.173%0.73470%0.697SS**  -109.3173.7-9135.2-18.2000113.5
727S28.4Very low31.4Very low107 Ų107123.3 Ų123.375%0.74872%0.723SS**  trans63.8100.8159.659.90000118.2
728Q24.4Very low30.4Very low193 Ų193127.5 Ų127.590%0.90274%0.741SS**  -165.3119.4117.8-10117441.300109.8
729S28Very low29.6Very low117 Ų117127 Ų12782%0.81874%0.739SS**  trans-147.6163160.7-41.50000105.4
730P41.6Very low28.9Very low104 Ų104130.1 Ų130.168%0.67575%0.747SS**  cis-139.5176.50.236.9-17.6000113.6
731C23.7Very low28.5Very low122 Ų122135.1 Ų135.182%0.82476%0.762SS**  trans-165.298.8150.3-90.20000108.5
732H24.9Very low28Very low170 Ų170135 Ų13579%0.78776%0.763SS**  87.9110.886.7-82.9-59.4000114.9
733S25.9Very low27.8Very low113 Ų113135.8 Ų135.879%0.7977%0.765SS**  trans-115149.8152.8-470000107.9
734P31.3Very low27.6Very low131 Ų131139.4 Ų139.485%0.85177%0.773SS**  trans-83.3142.2-162.232.6-33.1000113.3
735G24.8Very low27.2Very low66 Ų66134 Ų13468%0.6877%0.765SS**  trans-74.3178.8161.700000111.8
736P32.1Very low27.1Very low119 Ų119133.9 Ų133.977%0.77376%0.764SS**  -145.5167.584.236.9-19.6000112.3
737E26.4Very low26.5Very low154 Ų154136 Ų13672%0.7276%0.764SS**  cis-172.8138.8-6.8-106.3176177.500106.1
738H26.7Very low26.4Very low144 Ų144138.1 Ų138.167%0.66776%0.762SS**  trans71.6139.3135.1-6923.5000119.4
739Q25.5Very low26.3Very low149 Ų149134.5 Ų134.570%0.69675%0.749SS**  cis-165141.89.2-116.7170.10.700108.9
740H23.4Very low26.1Very low153 Ų153137.9 Ų137.971%0.70875%0.745SS**  trans27.4127.2145.7-61.5-54.7000121.8
741H25.1Very low25.2Very low191 Ų191138.7 Ų138.788%0.88474%0.744SS**  -165126.599.9-92.5-64.6000111.4
742L23.3Very low25.3Very low158 Ų158142.7 Ų142.783%0.82774%0.742SS**  trans-88.4141.4163.1-86151.4000108.4
743H24.9Very low25.2Very low166 Ų166141.4 Ų141.477%0.76974%0.74SS**  trans-166.8133.7130-106.9-49.3000114.6
744H25.4Very low25.4Very low170 Ų170141 Ų14179%0.78774%0.737SS**  trans42.8121.2140.6-85.8-49.1000121.5
745G22Very low25.6Very low63 Ų63139.4 Ų139.465%0.64973%0.727SS**  88.1122103.100000118.1
746S24Very low25.7Very low109 Ų109144 Ų14476%0.76273%0.731SS**  trans89.7130.5141.875.90000120.6
747H25.3Very low25.4Very low158 Ų158145.8 Ų145.873%0.73173%0.728SS**  trans66.9119.6140.7-82.8-73.3000121.8
748Q25Very low25.3Very low151 Ų151141.5 Ų141.571%0.70673%0.725SS**  trans73124.6130.8-87.1174.2-24.100120.4
749D23Very low25.1Very low116 Ų116144.3 Ų144.362%0.6273%0.731SS**  95.3124125-79.9-8.1000121.2
750Y23.5Very low25Very low188 Ų188144.8 Ų144.874%0.73774%0.738SS**  trans68.3116.3140-76.4-64.9000120.6
751N24.1Very low25Very low121 Ų121145 Ų14565%0.64774%0.739SS**  70.4116.5125.6-87.5-19.2000119.4
752R23.7Very low25Very low207 Ų207142.8 Ų142.878%0.78173%0.732SS**  84.9137.7117.7-92.2-173.9-176.9-168.80.9118.9
753L24.8Very low25Very low142 Ų142139.7 Ų139.774%0.74372%0.723SS**  trans9199.4142.1-69.4157.3000116.5
754S29.8Very low25Very low105 Ų105140.2 Ų140.273%0.73473%0.726SS**  -26.8154.9126.2-15.90000112.7
755P35.5Very low25Very low98 Ų98141.7 Ų141.764%0.63673%0.733SS**  -149.2152.59038-19.1000113.3
756Q26.1Very low25.2Very low163 Ų163142.8 Ų142.876%0.76274%0.736SS**  63146.5111.7-64.3177.1-16.500114.6
757H25.9Very low25.3Very low155 Ų155147.2 Ų147.272%0.71875%0.745SS**  cis-169.1148.41.7-113.3-45.5000103.7
758G24.1Very low25.3Very low64 Ų64143.5 Ų143.566%0.6675%0.749SS**  147.1115.3110.400000107.7
759Y23.5Very low25.4Very low203 Ų203141.7 Ų141.780%0.79676%0.76SS**  54.5104.478.3-87.7-78000114.8
760L23.5Very low25.5Very low159 Ų159141.3 Ų141.383%0.83277%0.773SS**  166.2107126.1-88.2154.5000107.5
761H22.8Very low25.5Very low159 Ų159136.1 Ų136.174%0.73678%0.777SS**  71.6136.370.2-129.2-69.9000115.1
762I24.6Very low25.4Very low144 Ų144134.1 Ų134.174%0.73878%0.784SS**  trans90.4133160.2-55169.8000115
763S23.7Very low25.4Very low92 Ų92130.2 Ų130.264%0.64379%0.787SS**  cis-174.1152.7-11.452.20000110.1
764E24.8Very low25.2Very low178 Ų178128.4 Ų128.483%0.83279%0.787SS**  trans35.9134.7140.5-65.8-175.7146.300123.6
765H24.4Very low24.9Very low200 Ų200133.1 Ų133.193%0.92679%0.794SS**  -156.1142.3117.1-111.1-76.6000111.9
766A26Very low24.2Very low86 Ų86133.2 Ų133.271%0.71180%0.797SS**  trans-113.7172.8179.900000112.4
767Q28.1Very low24Very low202 Ų202130.6 Ų130.694%0.94480%0.796SS**  trans119.7127.6169.8-71.4177.8-2.400111
768G25.2Very low23.8Very low80 Ų80133.3 Ų133.383%0.82580%0.801SS**  cis124.5119.89.800000110.1
769A25.6Very low23.7Very low114 Ų114136.5 Ų136.594%0.94280%0.803SS**  trans170.1158.914800000113.2
770A25.4Very low23.7Very low108 Ų108135.4 Ų135.489%0.89381%0.805SS**  trans-107.7175.9-158.900000115.5
771G23.8Very low23.6Very low79 Ų79134.8 Ų134.881%0.81480%0.802SS**  trans126.9119.5164.600000111.9
772G22.5Very low23.6Very low78 Ų78133.3 Ų133.380%0.80481%0.809SS**  cis91.286.320.700000111
773C22.7Very low23.5Very low125 Ų125133.9 Ų133.985%0.84581%0.809SS**  trans-165.4120155.1-117.70000113.1
774S21Very low23.4Very low104 Ų104136 Ų13673%0.72782%0.822SS**  trans-73.5147.5163.547.60000112.1
775F23.1Very low23.2Very low205 Ų205133.8 Ų133.890%0.89982%0.816SS**  trans-147.7123.2152.3-101.1-81000111.2
776S20.9Very low23.1Very low99 Ų99132.9 Ų132.969%0.69281%0.81SS**  trans-100.7153.3162.252.80000109.4
777C21.4Very low22.9Very low108 Ų108135.5 Ų135.573%0.7381%0.812SS**  trans171.9121.5139.1-89.70000109
778Y22.8Very low22.6Very low212 Ų212136.7 Ų136.783%0.83181%0.808SS**  60.7131.6104.5-75.8-80.7000113
779D22.4Very low22.5Very low132 Ų132137.7 Ų137.771%0.70681%0.809SS**  cis-164.2165.938.1-111.3-34000105.8
780Q22.8Very low22.3Very low180 Ų180142.6 Ų142.684%0.84180%0.804SS**  -175.9132.859.2-141.2160.526.800110.4
781L22.1Very low22.2Very low145 Ų145146.8 Ų146.876%0.75981%0.805SS**  trans-78.5157167.4-83138.4000111.2
782S23.3Very low22.2Very low128 Ų128148 Ų14890%0.89580%0.801SS**  trans-140.9112.2151-71.60000109.3
783Q21.2Very low22.2Very low156 Ų156152.1 Ų152.173%0.72981%0.805SS**  trans-82.2152.5171.2-72.6168-62.500110.6
784C21.6Very low22.2Very low137 Ų137149.3 Ų149.393%0.92680%0.797SS**  trans-146.8116.2141.1-87.70000109
785D20.5Very low22.4Very low131 Ų131152.6 Ų152.670%0.70181%0.806SS**  trans-74.9150.5166.2-75.4-49.8000111
786F23Very low22.4Very low181 Ų181151.6 Ų151.679%0.79481%0.808SS**  175.5127.4112.7-111.4-96.1000113.9
787D22.4Very low22.5Very low142 Ų142152.4 Ų152.476%0.75981%0.814SS**  trans72.4137.6141.1-81.6-12.3000126.7
788R21.8Very low22.6Very low227 Ų227152.7 Ų152.786%0.85782%0.817SS**  trans-66149-177.4-71.9169.8158.1168.8-6115.1
789A22.7Very low22.7Very low101 Ų101148.7 Ų148.784%0.83582%0.818SS**  trans-153.6131.8132.200000111
790Y21.9Very low22.8Very low217 Ų217145.2 Ų145.285%0.85181%0.813SS**  trans-71133.4169.5-93.4-101.8000109.8
791E22.8Very low22.9Very low196 Ų196146.4 Ų146.492%0.91682%0.815SS**  trans-156.5140.3141.9-115.1169.1-161.400110.5
792S22.8Very low23Very low104 Ų104146.8 Ų146.873%0.72782%0.817SS**  trans-88.5133.1-17095.90000109.4
793D22.7Very low23.2Very low164 Ų164144.7 Ų144.788%0.87780%0.802SS**  trans-166.1133.2139-99.6-22.1000110.9
794G23.6Very low23.5Very low66 Ų66144.1 Ų144.168%0.6880%0.803SS**  trans-78.8151-171.800000113.6
795L23.6Very low24.2Very low174 Ų174142.4 Ų142.491%0.91179%0.79SS**  trans-169.4126.5143.8-99.4149.8000108.5S797L795-S797 PolarHBondContact O-N 2.89Å
796L23.9Very low25.5Very low183 Ų183137.7 Ų137.796%0.95877%0.765SS**  trans-53.5122.2177.6-74.7131.1000111.2
797S22.4Very low27Very low117 Ų117133.8 Ų133.882%0.81875%0.749SS**  trans-114.6120.1166.351.60000110L795L795-S797 PolarHBondContact O-N 2.89Å
798S23.5Very low28.6Very low113 Ų113128.4 Ų128.479%0.7972%0.724SS**  trans-76.4138.91741630000110.7
799P25.6Very low30.2Very low129 Ų129118.4 Ų118.484%0.83869%0.688SS**  trans-98.7125.5163.433.6-23.6000110.7
800G24.4Very low31.5Very low59 Ų59122.5 Ų122.561%0.60869%0.69SS**  trans150.778.8166.800000113.1L802G800-L802 PolarHBondContact O-N 2.91Å
801K24.3Very low32.8Very low205 Ų205113.4 Ų113.489%0.89166%0.656SS**  trans-61.5106.2167.5-78.1-177.6175.8-177.60108.7
802L25.1Very low34.1Very low152 Ų152106.2 Ų106.280%0.79662%0.623SS**  trans-74.6137.4168-81.8142.5000109.7G800 I804G800-L802 PolarHBondContact O-N 2.91Å; L802-I804 PolarHBondContact O-N 3.22Å
803S26.9Very low34.9Very low84 Ų84107.1 Ų107.159%0.58762%0.62SS**  trans-4.7110.3164.351.60000116.5
804I28Very low35.9Very low144 Ų144104.9 Ų104.974%0.73861%0.605SS**  trans-81.9132.3178.4-56.7170.6000109.3L802L802-I804 PolarHBondContact O-N 3.22Å
805P35.7Very low36.9Very low101 Ų101103 Ų10366%0.65658%0.579SS**SBendtrans-77.8147171.432.3-30.7000110.4
806I47.9Very low37.6Very low33 Ų33100.8 Ų100.817%0.16956%0.564CS.*SBendtrans40.6109.6168.1-55.8172.5000115Y356 L647 A808Y356-I806 HydrophobicContact CE2-CD1 3.73Å; Y356-I806 WeakPolarHBondContact OH-CD1 3.36Å; L647-I806 HydrophobicContact CD2-CD1 3.79Å; L647-I806 HydrophobicContact CD2-CG2 3.58Å; I806-A808 PolarHBondContact O-N 3.44Å
807E55.2Low38.2Very low99 Ų9994.7 Ų94.746%0.46354%0.539SS..  trans-67.3111.1-178.7-59175.8-163.900109.5H572 L574 A594H572-E807 VanDerWaalsContact O-OE2 3.09Å; L574-E807 VanDerWaalsContact CD1-C 3.49Å; L574-E807 HydrophobicContact CD1-CB 3.56Å; L574-E807 WeakPolarHBondContact CD1-O 3.11Å; A594-E807 PolarHBondContact N-O 3.1Å
808A55.4Low39Very low29 Ų2993 Ų9324%0.2452%0.524CS..BIsolated β-bridgetrans-117.6147.1156.300000105.8A593 I806 I812A593-A808 HydrophobicContact CB-CB 4.26Å; I806-A808 PolarHBondContact O-N 3.44Å; A808-I812 HydrophobicContact CB-CD1 3.41Å; A808-I812 VanDerWaalsContact CB-CD1 3.41Å; A808-I812 HydrophobicContact CB-CG1 4.28Å
809T55.4Low39.7Very low17 Ų1793.2 Ų93.210%0.10451%0.511CS..  trans-51.3142.1173.545.30000110.7P575 S577 F592 Y603 D811P575-T809 WeakPolarHBondContact O-CG2 3.35Å; S577-T809 WeakPolarHBondContact OG-CB 3.11Å; S577-T809 PolarHBondContact OG-OG1 2.77Å; F592-T809 HydrophobicContact CB-CG2 4.34Å; F592-T809 PolarHBondContact O-N 3.28Å; F592-T809 PolarHBondContact O-OG1 3.28Å; Y603-T809 PolarHBondContact OH-OG1 3.48Å; T809-D811 PolarHBondContact O-N 3.44Å
810E49.2Very low40.1Very low186 Ų18692.8 Ų92.887%0.86950%0.5SS*.THydrogen-bonded Turntrans-55.56.2-166.7-65.9-169.9147.400117.2
811D50Low40.5Very low26 Ų2693.7 Ų93.714%0.13950%0.498CS..THydrogen-bonded Turntrans-90.9-3.9-169.6-72.2-47000116.4S577 K589 T809 N813 E814 L815S577-D811 WeakPolarHBondContact CB-OD2 3.37Å; S577-D811 PolarHBondContact OG-OD2 3.09Å; K589-D811 WeakPolarHBondContact CE-OD1 3.32Å; K589-D811 WeakPolarHBondContact CE-OD2 3.42Å; K589-D811 IonicContact NZ-OD1 3.58Å; K589-D811 PolarHBondContact NZ-OD1 2.88Å; K589-D811 IonicContact NZ-OD2 2.75Å; K589-D811 PolarHBondContact NZ-OD2 2.76Å; T809-D811 PolarHBondContact O-N 3.44Å; D811-N813 PolarHBondContact O-N 2.62Å; D811-E814 PolarHBondContact O-N 2.93Å; D811-L815 PolarHBondContact O-N 3.23Å; D811-L815 VanDerWaalsContact O-N 3.09Å
812I50Low40.9Very low45 Ų4588.1 Ų88.123%0.23148%0.484CS..Hα-helixtrans-59.6-37.8-179.3-67.3171.4000110.7S650 P652 A808 Q816S650-I812 WeakPolarHBondContact O-CD1 3.09Å; P652-I812 HydrophobicContact CG-CG1 4.31Å; A808-I812 HydrophobicContact CB-CD1 3.41Å; A808-I812 VanDerWaalsContact CB-CD1 3.41Å; A808-I812 HydrophobicContact CB-CG1 4.28Å; I812-Q816 PolarHBondContact O-N 3.43Å
813N39.9Very low41.3Very low123 Ų12386.4 Ų86.466%0.65848%0.475SS*.Hα-helixtrans-75.6-34179.8-68.5-30.3000112.8D811 A817D811-N813 PolarHBondContact O-N 2.62Å; N813-A817 WeakPolarHBondContact O-CB 3.37Å; N813-A817 PolarHBondContact O-N 3.4Å; N813-A817 VanDerWaalsContact O-N 3.1Å
814E43.1Very low41.9Very low118 Ų11889.8 Ų89.855%0.55148%0.481SS*.Hα-helixtrans-69.9-39.9177.3-77.2-166162.400112K589 D811 A817 V818K589-E814 IonicContact NZ-OE2 3.14Å; D811-E814 PolarHBondContact O-N 2.93Å; E814-A817 PolarHBondContact O-N 3.41Å; E814-V818 VanDerWaalsContact O-CG2 3.27Å; E814-V818 WeakPolarHBondContact O-CG2 3.39Å; E814-V818 PolarHBondContact O-N 3.3Å
815L44.4Very low42Very low26 Ų2690.6 Ų90.614%0.13649%0.486CS..Hα-helixtrans-68.3-34.7179.4-74.4167.4000112.4K589 P652 D811 F819K589-L815 HydrophobicContact CD-CD1 4.5Å; K589-L815 HydrophobicContact CD-CD2 4.26Å; P652-L815 HydrophobicContact CB-CD1 3.9Å; P652-L815 HydrophobicContact CG-CD1 3.87Å; D811-L815 PolarHBondContact O-N 3.23Å; D811-L815 VanDerWaalsContact O-N 3.09Å; L815-F819 PolarHBondContact O-N 3.16Å
816Q38.5Very low41.5Very low128 Ų12893.7 Ų93.760%0.59849%0.492SS*.Hα-helixtrans-68.8-36.9170.7-76.7-176.3-15.500112.4I812 F819 I820I812-Q816 PolarHBondContact O-N 3.43Å; Q816-F819 PolarHBondContact O-N 2.67Å; Q816-I820 PolarHBondContact O-N 3.01Å
817A36.1Very low41Very low54 Ų5497.9 Ų97.945%0.44652%0.522SS..Hα-helixtrans-70.5-37.1178.800000112.9N813 E814 F819 I820 S821N813-A817 WeakPolarHBondContact O-CB 3.37Å; N813-A817 PolarHBondContact O-N 3.4Å; N813-A817 VanDerWaalsContact O-N 3.1Å; E814-A817 PolarHBondContact O-N 3.41Å; A817-F819 VanDerWaalsContact C-N 3.27Å; A817-F819 PolarHBondContact O-N 3.21Å; A817-I820 PolarHBondContact O-N 3.33Å; A817-S821 PolarHBondContact O-N 3.12Å; A817-S821 PolarHBondContact O-OG 3.19Å
818V40.9Very low39.9Very low82 Ų82105.6 Ų105.650%0.49756%0.558SS.*Hα-helixtrans-63.3-33.6175.61730000111E814 S821 S822E814-V818 VanDerWaalsContact O-CG2 3.27Å; E814-V818 WeakPolarHBondContact O-CG2 3.39Å; E814-V818 PolarHBondContact O-N 3.3Å; V818-S821 WeakPolarHBondContact CA-OG 3.35Å; V818-S821 PolarHBondContact O-OG 3.17Å; V818-S822 WeakPolarHBondContact O-CB 3.47Å; V818-S822 PolarHBondContact O-N 3.09Å; V818-S822 PolarHBondContact O-OG 3.44Å
819F36.5Very low39.2Very low118 Ų118109.5 Ų109.552%0.51857%0.574SS.*Hα-helixtrans-71.7-41.5175.1-170.9-103.7000113.1L815 Q816 A817 S821 S822 L823L815-F819 PolarHBondContact O-N 3.16Å; Q816-F819 PolarHBondContact O-N 2.67Å; A817-F819 VanDerWaalsContact C-N 3.27Å; A817-F819 PolarHBondContact O-N 3.21Å; F819-S821 VanDerWaalsContact C-N 3.27Å; F819-S821 PolarHBondContact O-N 2.69Å; F819-S822 PolarHBondContact O-N 2.97Å; F819-S822 VanDerWaalsContact O-N 3.16Å; F819-L823 HydrophobicContact CD1-CD1 3.93Å; F819-L823 HydrophobicContact CE1-CD1 3.54Å; F819-L823 HydrophobicContact CE1-CG 4.48Å; F819-L823 HydrophobicContact CZ-CD1 4.08Å; F819-L823 PolarHBondContact O-N 2.84Å
820I35.5Very low38.3Very low119 Ų119114.3 Ų114.361%0.6160%0.598SS**Hα-helixtrans-64.1-36.2175.8-65.7173.7000110.9Q816 A817 L823Q816-I820 PolarHBondContact O-N 3.01Å; A817-I820 PolarHBondContact O-N 3.33Å; I820-L823 PolarHBondContact O-N 3.48Å
821S32.8Very low37.7Very low79 Ų79110.3 Ų110.355%0.55258%0.583SS**Hα-helixtrans-78.2-20.8175.541.80000113.7A817 V818 F819 L823A817-S821 PolarHBondContact O-N 3.12Å; A817-S821 PolarHBondContact O-OG 3.19Å; V818-S821 WeakPolarHBondContact CA-OG 3.35Å; V818-S821 PolarHBondContact O-OG 3.17Å; F819-S821 VanDerWaalsContact C-N 3.27Å; F819-S821 PolarHBondContact O-N 2.69Å; S821-L823 VanDerWaalsContact C-N 3.33Å
822S32.8Very low37Very low87 Ų87115.3 Ų115.361%0.60861%0.609SS**Hα-helixtrans-76.4-17.7170.3-56.20000113.5V818 F819V818-S822 WeakPolarHBondContact O-CB 3.47Å; V818-S822 PolarHBondContact O-N 3.09Å; V818-S822 PolarHBondContact O-OG 3.44Å; F819-S822 PolarHBondContact O-N 2.97Å; F819-S822 VanDerWaalsContact O-N 3.16Å
823L32.2Very low36.2Very low116 Ų116119.7 Ų119.761%0.60763%0.633SS**THydrogen-bonded Turntrans-90.23.4176-78.8165000113.4F819 I820 S821F819-L823 HydrophobicContact CD1-CD1 3.93Å; F819-L823 HydrophobicContact CE1-CD1 3.54Å; F819-L823 HydrophobicContact CE1-CG 4.48Å; F819-L823 HydrophobicContact CZ-CD1 4.08Å; F819-L823 PolarHBondContact O-N 2.84Å; I820-L823 PolarHBondContact O-N 3.48Å; S821-L823 VanDerWaalsContact C-N 3.33Å
824H39.5Very low35.9Very low155 Ų155119.5 Ų119.572%0.71863%0.631SS**  trans-126.985.7177.7-86.123.2000111.5
825L29.9Very low35.4Very low161 Ų161119.6 Ų119.684%0.84364%0.637SS**  trans176.9123.6147.2-92.2148.9000105.8
826Q27.1Very low34.7Very low167 Ų167126.8 Ų126.878%0.7868%0.676SS**  cis-147.415733.9-68.4178.6-50.100112.1
827P36.3Very low34.4Very low121 Ų121126.7 Ų126.779%0.78668%0.682SS**  trans-75.2126.2158.231-28000110.6
828Q33Very low34.2Very low261 Ų261133.3 Ų133.3100%1.2270%0.704SS**  trans-132.30142.2-81.6-159.6-1.700108.9

Retrieved 828 of 828 residues in 862.2 ms (Link to these results)

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