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F-box/LRR-repeat protein 15

Substrate recognition component of a SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Acts as a positive regulator of the BMP signaling pathway. Required for dorsal/ventral pattern formation (By similarity).

AlphaFold DB , UniProt , Accession B5X441, Species SALSA (Salmo salar, Atlantic salmon), Gene fbxl15, Length 292 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
1M46.6Very low62.8Low235 Ų235143.6 Ų143.6100%1.15879%0.789SS**  090.20-91.7175.464.800104.9A3M1-A3 PolarHBondContact O-N 3.07Å
2D48.6Very low65.1Low159 Ų159138.8 Ų138.885%0.8576%0.76SS**  trans-66.3108.6-178.7-59.3-41.3000106.7E4D2-E4 PolarHBondContact O-N 2.88Å
3A52.7Low67.1Low92 Ų92130.3 Ų130.376%0.7671%0.714SS**  trans-65.594.6169.800000105.8M1 T5M1-A3 PolarHBondContact O-N 3.07Å; A3-T5 VanDerWaalsContact C-N 3.27Å; A3-T5 PolarHBondContact O-N 2.83Å
4E55.5Low68.8Low180 Ų180128.4 Ų128.484%0.84170%0.702SS**  trans-52.5101.3163.5-74.8-179.5155.900106.3D2 E6D2-E4 PolarHBondContact O-N 2.88Å; E4-E6 PolarHBondContact O-N 2.75Å
5T57.2Low70.3Confident138 Ų138123.5 Ų123.585%0.84768%0.675SS**  trans-58.391.5167.3-15.10000105.8A3 C7A3-T5 VanDerWaalsContact C-N 3.27Å; A3-T5 PolarHBondContact O-N 2.83Å; T5-C7 PolarHBondContact O-N 2.78Å
6E59.3Low71.7Confident176 Ų176120.1 Ų120.182%0.82266%0.66SS**  trans-62.593.3177.1-153.2172.9-162.400105.6E4 C8E4-E6 PolarHBondContact O-N 2.75Å; E6-C8 PolarHBondContact O-N 2.77Å
7C60.3Low73Confident111 Ų111117.4 Ų117.475%0.7564%0.638SS**  trans-66.991179-174.30000105.9T5 K9T5-C7 PolarHBondContact O-N 2.78Å; C7-K9 PolarHBondContact O-N 2.84Å
8C65.3Low73.9Confident112 Ų112116.7 Ų116.776%0.75763%0.63SS**  trans-54.2104.2174.5-730000107.3E6 C10E6-C8 PolarHBondContact O-N 2.77Å; C8-C10 VanDerWaalsContact C-N 3.31Å; C8-C10 PolarHBondContact O-N 3.37Å
9K76.9Confident74.7Confident168 Ų168116.7 Ų116.773%0.7363%0.63SS**  trans-68.694.7175-71.1-179.2-179.4174.90107C7 H11C7-K9 PolarHBondContact O-N 2.84Å; K9-H11 PolarHBondContact O-CD2 3.28Å; K9-H11 PolarHBondContact O-N 2.88Å
10C80.5Confident75.5Confident92 Ų92113.2 Ų113.262%0.62261%0.612SS**  trans-69.9113.9169.5-174.60000107.9C8C8-C10 VanDerWaalsContact C-N 3.31Å; C8-C10 PolarHBondContact O-N 3.37Å
11H88.3Confident76.2Confident117 Ų117107.8 Ų107.854%0.54258%0.583SS.*  trans-84.8155.4173.9-61-76.5000109.9K9 L13 D14K9-H11 PolarHBondContact O-CD2 3.28Å; K9-H11 PolarHBondContact O-N 2.88Å; H11-L13 PolarHBondContact O-N 2.81Å; H11-L13 VanDerWaalsContact O-N 3.13Å; H11-D14 WeakPolarHBondContact CA-OD2 3.47Å; H11-D14 VanDerWaalsContact CB-OD2 3.3Å; H11-D14 WeakPolarHBondContact CB-OD2 3.32Å; H11-D14 IonicContact CD2-OD2 2.76Å; H11-D14 IonicContact CG-OD2 3.03Å; H11-D14 PolarHBondContact N-OD2 3.4Å; H11-D14 WeakPolarHBondContact O-CB 3.3Å; H11-D14 PolarHBondContact O-N 3.1Å
12L89.7Confident78.2Confident85 Ų8597.4 Ų97.445%0.44553%0.533SS..G310 helixtrans-51.6-41.6-178.2179.367.9000113D14 L15 L21 I25L12-D14 VanDerWaalsContact C-N 3.25Å; L12-D14 PolarHBondContact O-N 3.35Å; L12-L15 HydrophobicContact CD1-CD1 4.21Å; L12-L15 WeakPolarHBondContact O-CB 3.31Å; L12-L15 WeakPolarHBondContact O-CG 3.47Å; L12-L15 PolarHBondContact O-N 2.98Å; L12-L21 HydrophobicContact CD1-CD2 3.71Å; L12-L21 HydrophobicContact CG-CD2 4.13Å; L12-I25 HydrophobicContact CD1-CD1 4.17Å
13L91.5Very high80Confident29 Ų2993.5 Ų93.515%0.15252%0.515CS..G310 helixtrans-79.7-4.7-176.2-62.8177.1000113.9H11 L15 W17 L21 Q43 F44 L47H11-L13 PolarHBondContact O-N 2.81Å; H11-L13 VanDerWaalsContact O-N 3.13Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-W17 PolarHBondContact O-NE1 3.08Å; L13-L21 HydrophobicContact CD2-CD1 4.19Å; L13-Q43 HydrophobicContact CD1-CB 3.76Å; L13-F44 HydrophobicContact CD1-CD2 4.06Å; L13-F44 HydrophobicContact CD1-CE2 3.89Å; L13-F44 HydrophobicContact CD1-CZ 4.26Å; L13-F44 HydrophobicContact CD2-CD1 4.27Å; L13-F44 HydrophobicContact CD2-CE1 4Å; L13-F44 HydrophobicContact CD2-CZ 4.12Å; L13-F44 HydrophobicContact CG-CE2 4.5Å; L13-F44 HydrophobicContact CG-CZ 4.39Å; L13-L47 HydrophobicContact CD2-CD2 3.59Å
14D91.5Very high81.7Confident104 Ų10494.7 Ų94.756%0.55650%0.504SS*.G310 helixtrans-81.4-15.4171.8-56.1-30000111.6H11 L12H11-D14 WeakPolarHBondContact CA-OD2 3.47Å; H11-D14 VanDerWaalsContact CB-OD2 3.3Å; H11-D14 WeakPolarHBondContact CB-OD2 3.32Å; H11-D14 IonicContact CD2-OD2 2.76Å; H11-D14 IonicContact CG-OD2 3.03Å; H11-D14 PolarHBondContact N-OD2 3.4Å; H11-D14 WeakPolarHBondContact O-CB 3.3Å; H11-D14 PolarHBondContact O-N 3.1Å; L12-D14 VanDerWaalsContact C-N 3.25Å; L12-D14 PolarHBondContact O-N 3.35Å
15L91.1Very high83.3Confident55 Ų5589.2 Ų89.229%0.28848%0.48SS..SBendtrans-68.9147.4173.8-62.3176.6000110.7L12 L13 W17 V20 L21L12-L15 HydrophobicContact CD1-CD1 4.21Å; L12-L15 WeakPolarHBondContact O-CB 3.31Å; L12-L15 WeakPolarHBondContact O-CG 3.47Å; L12-L15 PolarHBondContact O-N 2.98Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L15-W17 VanDerWaalsContact O-CD1 3.28Å; L15-W17 PolarHBondContact O-N 3.24Å; L15-V20 HydrophobicContact CB-CB 4.43Å; L15-V20 HydrophobicContact CB-CG1 4.31Å; L15-V20 HydrophobicContact CD1-CG1 4.15Å; L15-L21 HydrophobicContact CB-CD2 3.99Å; L15-L21 HydrophobicContact CB-CG 4.11Å; L15-L21 HydrophobicContact CD1-CD2 3.92Å
16P92.4Very high84.7Confident69 Ų6982.9 Ų82.945%0.44844%0.441SS..  trans-53.9126.2174.6-25.733.8000112.1D19 V20 L21P16-D19 HydrophobicContact CB-CB 4.26Å; P16-V20 HydrophobicContact CB-CG2 4.15Å; P16-V20 HydrophobicContact CG-CG2 4.14Å; P16-V20 WeakPolarHBondContact O-CA 3.43Å; P16-V20 VanDerWaalsContact O-CB 3.31Å; P16-V20 WeakPolarHBondContact O-CB 3.3Å; P16-V20 PolarHBondContact O-N 3.21Å; P16-V20 VanDerWaalsContact O-N 3.1Å; P16-L21 PolarHBondContact O-N 3.13Å; P16-L21 VanDerWaalsContact O-N 3.08Å
17W93.1Very high85.9Confident73 Ų7377.4 Ų77.428%0.27742%0.421SS..Iπ-helixtrans-67.7-51.6-171.4-72.48.9000112.2L13 L15 L21 V22 A46 L47 V50L13-W17 PolarHBondContact O-NE1 3.08Å; L15-W17 VanDerWaalsContact O-CD1 3.28Å; L15-W17 PolarHBondContact O-N 3.24Å; W17-L21 HydrophobicContact CG-CD1 4.47Å; W17-L21 PolarHBondContact O-N 3.27Å; W17-V22 WeakPolarHBondContact O-CB 3.49Å; W17-V22 VanDerWaalsContact O-CG2 3.3Å; W17-V22 WeakPolarHBondContact O-CG2 3.39Å; W17-V22 PolarHBondContact O-N 3.16Å; W17-A46 HydrophobicContact CH2-CB 3.68Å; W17-A46 HydrophobicContact CZ3-CB 3.73Å; W17-L47 HydrophobicContact CB-CD1 3.64Å; W17-L47 HydrophobicContact CD2-CB 4.08Å; W17-L47 HydrophobicContact CD2-CD1 3.71Å; W17-L47 HydrophobicContact CD2-CG 4.43Å; W17-L47 HydrophobicContact CE3-CB 3.98Å; W17-L47 HydrophobicContact CE3-CD1 4.02Å; W17-L47 HydrophobicContact CG-CD1 3.55Å; W17-L47 HydrophobicContact CH2-CB 4.25Å; W17-L47 HydrophobicContact CZ2-CB 4.32Å; W17-L47 HydrophobicContact CZ3-CB 4.08Å; W17-L47 VanDerWaalsContact CZ3-N 3.33Å; W17-V50 HydrophobicContact CE3-CB 4.45Å; W17-V50 HydrophobicContact CE3-CG2 3.96Å; W17-V50 HydrophobicContact CZ3-CG2 4.27Å
18E90.2Very high87.1Confident105 Ų10580.9 Ų80.949%0.49142%0.42SS..Iπ-helixtrans-74-52.7-176.2-66.9-179.5-156.300111.5V20 T23 V50E18-V20 PolarHBondContact O-N 2.77Å; E18-T23 WeakPolarHBondContact O-CB 3.38Å; E18-T23 PolarHBondContact O-N 3.43Å; E18-T23 PolarHBondContact O-OG1 3.31Å; E18-V50 HydrophobicContact CG-CG1 3.55Å
19D88.4Confident88Confident117 Ų11778.1 Ų78.163%0.62640%0.397SS*.Iπ-helixtrans-71.6-26.8-173.7-56.6-50.4000113.7P16 H24P16-D19 HydrophobicContact CB-CB 4.26Å; D19-H24 PolarHBondContact O-CD2 2.66Å; D19-H24 PolarHBondContact O-NE2 3.28Å
20V90.7Very high88.2Confident47 Ų4773.5 Ų73.529%0.28539%0.385SS..Iπ-helixtrans-118.4-64.1-175.4-1750000111.9L15 P16 E18 H24L15-V20 HydrophobicContact CB-CB 4.43Å; L15-V20 HydrophobicContact CB-CG1 4.31Å; L15-V20 HydrophobicContact CD1-CG1 4.15Å; P16-V20 HydrophobicContact CB-CG2 4.15Å; P16-V20 HydrophobicContact CG-CG2 4.14Å; P16-V20 WeakPolarHBondContact O-CA 3.43Å; P16-V20 VanDerWaalsContact O-CB 3.31Å; P16-V20 WeakPolarHBondContact O-CB 3.3Å; P16-V20 PolarHBondContact O-N 3.21Å; P16-V20 VanDerWaalsContact O-N 3.1Å; E18-V20 PolarHBondContact O-N 2.77Å; V20-H24 WeakPolarHBondContact O-CA 3.46Å; V20-H24 WeakPolarHBondContact O-CB 3.47Å; V20-H24 PolarHBondContact O-N 3.45Å
21L91.4Very high88.2Confident0 Ų070.5 Ų70.50%036%0.362CS..Iπ-helixtrans-65.1-49.2-171.6-62.6-178.1000112.2L12 L13 L15 P16 W17 I25 F26 L47L12-L21 HydrophobicContact CD1-CD2 3.71Å; L12-L21 HydrophobicContact CG-CD2 4.13Å; L13-L21 HydrophobicContact CD2-CD1 4.19Å; L15-L21 HydrophobicContact CB-CD2 3.99Å; L15-L21 HydrophobicContact CB-CG 4.11Å; L15-L21 HydrophobicContact CD1-CD2 3.92Å; P16-L21 PolarHBondContact O-N 3.13Å; P16-L21 VanDerWaalsContact O-N 3.08Å; W17-L21 HydrophobicContact CG-CD1 4.47Å; W17-L21 PolarHBondContact O-N 3.27Å; L21-I25 HydrophobicContact CD2-CD1 3.74Å; L21-I25 CarbonylContact O-C 3.58Å; L21-I25 WeakPolarHBondContact O-CA 3.34Å; L21-I25 WeakPolarHBondContact O-CB 3.5Å; L21-I25 PolarHBondContact O-N 3.35Å; L21-I25 VanDerWaalsContact O-N 3.13Å; L21-F26 PolarHBondContact O-N 3.41Å; L21-L47 HydrophobicContact CB-CD1 4.17Å; L21-L47 HydrophobicContact CB-CD2 4.45Å; L21-L47 HydrophobicContact CD1-CD1 4.15Å; L21-L47 HydrophobicContact CD1-CD2 3.64Å
22V88.1Confident87.8Confident17 Ų1771.2 Ų71.210%0.10336%0.36CS..Iπ-helixtrans-68.9-51.3-179.6168.70000110.5W17 C27 L47 Y51W17-V22 WeakPolarHBondContact O-CB 3.49Å; W17-V22 VanDerWaalsContact O-CG2 3.3Å; W17-V22 WeakPolarHBondContact O-CG2 3.39Å; W17-V22 PolarHBondContact O-N 3.16Å; V22-C27 WeakPolarHBondContact O-CB 3.36Å; V22-C27 PolarHBondContact O-N 3.32Å; V22-C27 VanDerWaalsContact O-N 3.14Å; V22-L47 HydrophobicContact CG2-CD1 4.21Å; V22-Y51 HydrophobicContact CB-CD2 4.45Å; V22-Y51 HydrophobicContact CG1-CD2 3.89Å; V22-Y51 HydrophobicContact CG2-CD2 4.26Å
23T86.7Confident87.6Confident76 Ų7671.8 Ų71.847%0.46636%0.36SS..Iπ-helixtrans-73.8-30.4-170.7-61.10000113.5E18 C27E18-T23 WeakPolarHBondContact O-CB 3.38Å; E18-T23 PolarHBondContact O-N 3.43Å; E18-T23 PolarHBondContact O-OG1 3.31Å; T23-C27 PolarHBondContact O-SG 3.07Å
24H87.5Confident87.4Confident117 Ų11770.4 Ų70.454%0.54235%0.353SS..Iπ-helixtrans-120.7-10.4-171.4-59.7-52.3000114.8D19 V20 Y28D19-H24 PolarHBondContact O-CD2 2.66Å; D19-H24 PolarHBondContact O-NE2 3.28Å; V20-H24 WeakPolarHBondContact O-CA 3.46Å; V20-H24 WeakPolarHBondContact O-CB 3.47Å; V20-H24 PolarHBondContact O-N 3.45Å; H24-Y28 WeakPolarHBondContact O-CD2 3.49Å; H24-Y28 WeakPolarHBondContact O-CE2 3.33Å
25I89.1Confident87Confident65 Ų6567.3 Ų67.333%0.33334%0.338SS..Iπ-helixtrans-122.5-60.1-180-50.4-176.6000111L12 L21 C27 Y28L12-I25 HydrophobicContact CD1-CD1 4.17Å; L21-I25 HydrophobicContact CD2-CD1 3.74Å; L21-I25 CarbonylContact O-C 3.58Å; L21-I25 WeakPolarHBondContact O-CA 3.34Å; L21-I25 WeakPolarHBondContact O-CB 3.5Å; L21-I25 PolarHBondContact O-N 3.35Å; L21-I25 VanDerWaalsContact O-N 3.13Å; I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 2.94Å; I25-Y28 PolarHBondContact O-N 2.78Å; I25-Y28 VanDerWaalsContact O-N 3.14Å
26F87.4Confident86.7Confident6 Ų671.1 Ų71.13%0.02635%0.349CS..G310 helixtrans-74-24.5-169.1-78.324.9000112.1L21 Y28 L29 L34 L37 F44 L47 I48 Y51L21-F26 PolarHBondContact O-N 3.41Å; F26-Y28 PolarHBondContact O-N 2.93Å; F26-Y28 VanDerWaalsContact O-N 3.09Å; F26-L29 HydrophobicContact CD1-CD1 3.91Å; F26-L29 HydrophobicContact CE1-CD1 4.3Å; F26-L29 HydrophobicContact CG-CD1 4.27Å; F26-L29 PolarHBondContact O-N 3.13Å; F26-L34 HydrophobicContact CB-CD2 3.76Å; F26-L34 HydrophobicContact CD2-CD2 3.55Å; F26-L34 HydrophobicContact CE2-CD2 4.31Å; F26-L34 HydrophobicContact CG-CD2 3.76Å; F26-L37 HydrophobicContact CE2-CD1 4.05Å; F26-L37 HydrophobicContact CZ-CD1 3.94Å; F26-F44 HydrophobicContact CZ-CD1 4.31Å; F26-F44 HydrophobicContact CZ-CE1 4.04Å; F26-L47 HydrophobicContact CD2-CD2 4.32Å; F26-L47 HydrophobicContact CD2-CG 4.3Å; F26-L47 HydrophobicContact CE1-CD2 4.45Å; F26-L47 HydrophobicContact CE2-CD1 4.49Å; F26-L47 HydrophobicContact CE2-CD2 3.36Å; F26-L47 HydrophobicContact CE2-CG 3.64Å; F26-L47 HydrophobicContact CZ-CD2 3.44Å; F26-L47 VanDerWaalsContact CZ-CD2 3.44Å; F26-L47 HydrophobicContact CZ-CG 4.24Å; F26-I48 HydrophobicContact CD2-CD1 3.69Å; F26-I48 HydrophobicContact CE2-CD1 3.53Å; F26-I48 HydrophobicContact CE2-CG1 4.49Å; F26-Y51 HydrophobicContact CB-CD2 3.8Å; F26-Y51 HydrophobicContact CB-CE2 4.06Å
27C83.9Confident86.6Confident60 Ų6069.8 Ų69.841%0.40534%0.337SS..G310 helixtrans-57.2-19.7170.663.20000113.8V22 T23 I25V22-C27 WeakPolarHBondContact O-CB 3.36Å; V22-C27 PolarHBondContact O-N 3.32Å; V22-C27 VanDerWaalsContact O-N 3.14Å; T23-C27 PolarHBondContact O-SG 3.07Å; I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 2.94Å
28Y85.2Confident86.4Confident185 Ų18568.1 Ų68.173%0.72533%0.333SS*.G310 helixtrans-95.8-8.3177-60.6-71.6000113.7H24 I25 F26H24-Y28 WeakPolarHBondContact O-CD2 3.49Å; H24-Y28 WeakPolarHBondContact O-CE2 3.33Å; I25-Y28 PolarHBondContact O-N 2.78Å; I25-Y28 VanDerWaalsContact O-N 3.14Å; F26-Y28 PolarHBondContact O-N 2.93Å; F26-Y28 VanDerWaalsContact O-N 3.09Å
29L84.9Confident86.4Confident53 Ų5374 Ų7428%0.27735%0.35SS..SBendtrans-86.7134.2-179.7-63.6179.9000110.6F26 L34 L37F26-L29 HydrophobicContact CD1-CD1 3.91Å; F26-L29 HydrophobicContact CE1-CD1 4.3Å; F26-L29 HydrophobicContact CG-CD1 4.27Å; F26-L29 PolarHBondContact O-N 3.13Å; L29-L34 HydrophobicContact CB-CD1 4.35Å; L29-L34 HydrophobicContact CB-CD2 3.93Å; L29-L34 HydrophobicContact CB-CG 3.86Å; L29-L34 HydrophobicContact CD1-CD2 3.96Å; L29-L34 WeakPolarHBondContact O-CD1 3.42Å; L29-L37 HydrophobicContact CD1-CD1 4.08Å
30P81.3Confident86.6Confident72 Ų7272.9 Ų72.947%0.46835%0.347SS..  trans-56.7142.3171.4-24.132.4000111.6R32 Q33 L34P30-R32 PolarHBondContact O-N 3.5Å; P30-Q33 HydrophobicContact CB-CG 4.45Å; P30-Q33 HydrophobicContact CG-CG 4.48Å; P30-Q33 WeakPolarHBondContact O-CA 3.35Å; P30-Q33 WeakPolarHBondContact O-CB 3.49Å; P30-Q33 PolarHBondContact O-N 3.32Å; P30-L34 PolarHBondContact O-N 3.29Å; P30-L34 VanDerWaalsContact O-N 3.15Å
31L79.5Confident86.7Confident29 Ų2972.8 Ų72.815%0.15235%0.349CS..Hα-helixtrans-50.4-38.2179.4-179.960.5000112.9Q33 L34 V35 L52 F58 L60 I63L31-Q33 VanDerWaalsContact C-N 3.29Å; L31-Q33 PolarHBondContact O-N 2.92Å; L31-L34 PolarHBondContact O-N 3.39Å; L31-V35 HydrophobicContact CD1-CG2 4.1Å; L31-V35 HydrophobicContact CG-CG2 4.38Å; L31-V35 WeakPolarHBondContact O-CG2 3.47Å; L31-V35 PolarHBondContact O-N 3.11Å; L31-L52 HydrophobicContact CD1-CD2 4.05Å; L31-F58 HydrophobicContact CD1-CE2 3.96Å; L31-F58 HydrophobicContact CD2-CD2 3.89Å; L31-F58 HydrophobicContact CD2-CE2 3.28Å; L31-F58 HydrophobicContact CD2-CZ 3.68Å; L31-F58 HydrophobicContact CG-CE2 4.25Å; L31-L60 HydrophobicContact CD2-CD2 4.14Å; L31-I63 HydrophobicContact CB-CD1 4.27Å; L31-I63 HydrophobicContact CD2-CD1 3.51Å; L31-I63 HydrophobicContact CG-CD1 3.77Å
32R80.5Confident86.9Confident132 Ų13282 Ų8250%0.49839%0.389SS..Hα-helixtrans-55.8-41.8174.6-168175176-121.914.9113.2P30 R36 I63P30-R32 PolarHBondContact O-N 3.5Å; R32-R36 VanDerWaalsContact O-CG 3.3Å; R32-R36 WeakPolarHBondContact O-CG 3.48Å; R32-R36 PolarHBondContact O-N 3.04Å; R32-I63 HydrophobicContact CB-CG2 3.64Å; R32-I63 HydrophobicContact CG-CG2 3.99Å
33Q84.5Confident87.3Confident96 Ų9686.6 Ų86.645%0.44941%0.409SS..Hα-helixtrans-73.8-42-179.4-64.3-176.1-4.900110.4P30 L31 V35 R36 L37P30-Q33 HydrophobicContact CB-CG 4.45Å; P30-Q33 HydrophobicContact CG-CG 4.48Å; P30-Q33 WeakPolarHBondContact O-CA 3.35Å; P30-Q33 WeakPolarHBondContact O-CB 3.49Å; P30-Q33 PolarHBondContact O-N 3.32Å; L31-Q33 VanDerWaalsContact C-N 3.29Å; L31-Q33 PolarHBondContact O-N 2.92Å; Q33-V35 PolarHBondContact O-N 3.39Å; Q33-R36 WeakPolarHBondContact O-CA 3.41Å; Q33-R36 WeakPolarHBondContact O-CB 3.49Å; Q33-R36 PolarHBondContact O-N 3.27Å; Q33-L37 PolarHBondContact O-N 3Å
34L87.4Confident87.6Confident0 Ų084.6 Ų84.60%039%0.394CS..Hα-helixtrans-58.5-44.9175-68.9167.8000112.2F26 L29 P30 L31 R36 L37 I48 Y51F26-L34 HydrophobicContact CB-CD2 3.76Å; F26-L34 HydrophobicContact CD2-CD2 3.55Å; F26-L34 HydrophobicContact CE2-CD2 4.31Å; F26-L34 HydrophobicContact CG-CD2 3.76Å; L29-L34 HydrophobicContact CB-CD1 4.35Å; L29-L34 HydrophobicContact CB-CD2 3.93Å; L29-L34 HydrophobicContact CB-CG 3.86Å; L29-L34 HydrophobicContact CD1-CD2 3.96Å; L29-L34 WeakPolarHBondContact O-CD1 3.42Å; P30-L34 PolarHBondContact O-N 3.29Å; P30-L34 VanDerWaalsContact O-N 3.15Å; L31-L34 PolarHBondContact O-N 3.39Å; L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 PolarHBondContact O-N 2.88Å; L34-L37 HydrophobicContact CD2-CD1 4.41Å; L34-L37 WeakPolarHBondContact O-CB 3.18Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-L37 VanDerWaalsContact O-N 3.17Å; L34-I48 HydrophobicContact CB-CD1 4.03Å; L34-I48 HydrophobicContact CD2-CD1 3.61Å; L34-I48 HydrophobicContact CG-CD1 4.45Å; L34-I48 WeakPolarHBondContact O-CD1 3.36Å; L34-I48 WeakPolarHBondContact O-CG1 3.2Å; L34-Y51 HydrophobicContact CD1-CD1 3.99Å; L34-Y51 HydrophobicContact CD1-CE1 3.4Å; L34-Y51 HydrophobicContact CD1-CE2 3.97Å
35V82.9Confident87.9Confident39 Ų3984.7 Ų84.724%0.23639%0.391CS..Hα-helixtrans-63.3-33.3175.5173.20000111.8L31 Q33 Q38 I75L31-V35 HydrophobicContact CD1-CG2 4.1Å; L31-V35 HydrophobicContact CG-CG2 4.38Å; L31-V35 WeakPolarHBondContact O-CG2 3.47Å; L31-V35 PolarHBondContact O-N 3.11Å; Q33-V35 PolarHBondContact O-N 3.39Å; V35-Q38 WeakPolarHBondContact O-CB 3.5Å; V35-Q38 PolarHBondContact O-N 2.97Å; V35-I75 HydrophobicContact CG2-CD1 3.88Å
36R86.3Confident88.1Confident136 Ų13683.4 Ų83.451%0.51339%0.389SS..Hα-helixtrans-69.6-34.4174.9-74.7170170.2-162.4-10.9112.8R32 Q33 L34 Q38 R39R32-R36 VanDerWaalsContact O-CG 3.3Å; R32-R36 WeakPolarHBondContact O-CG 3.48Å; R32-R36 PolarHBondContact O-N 3.04Å; Q33-R36 WeakPolarHBondContact O-CA 3.41Å; Q33-R36 WeakPolarHBondContact O-CB 3.49Å; Q33-R36 PolarHBondContact O-N 3.27Å; L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 PolarHBondContact O-N 2.88Å; R36-Q38 PolarHBondContact O-N 3.24Å; R36-R39 PolarHBondContact O-N 3.47Å; R36-R39 VanDerWaalsContact O-N 3.07Å
37L89.2Confident88.4Confident41 Ų4183.1 Ų83.122%0.21539%0.388CS..Hα-helixtrans-59.9-28.2177.9-71.3176.5000112.4F26 L29 Q33 L34 R39 V40 F44 I48F26-L37 HydrophobicContact CE2-CD1 4.05Å; F26-L37 HydrophobicContact CZ-CD1 3.94Å; L29-L37 HydrophobicContact CD1-CD1 4.08Å; Q33-L37 PolarHBondContact O-N 3Å; L34-L37 HydrophobicContact CD2-CD1 4.41Å; L34-L37 WeakPolarHBondContact O-CB 3.18Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-L37 VanDerWaalsContact O-N 3.17Å; L37-R39 PolarHBondContact O-N 3.28Å; L37-V40 HydrophobicContact CD2-CG2 4.18Å; L37-V40 WeakPolarHBondContact O-CB 3.45Å; L37-V40 PolarHBondContact O-N 3.47Å; L37-F44 HydrophobicContact CB-CD1 4.25Å; L37-F44 HydrophobicContact CD1-CD1 4.5Å; L37-F44 HydrophobicContact CD2-CD1 4.41Å; L37-F44 HydrophobicContact CD2-CE1 4.37Å; L37-F44 VanDerWaalsContact O-CB 3.24Å; L37-F44 WeakPolarHBondContact O-CB 3.48Å; L37-I48 HydrophobicContact CB-CD1 4.07Å; L37-I48 HydrophobicContact CB-CG1 4.02Å; L37-I48 HydrophobicContact CD1-CD1 4.16Å
38Q89Confident88.8Confident37 Ų3780.2 Ų80.217%0.17337%0.369CS..THydrogen-bonded Turntrans-54.8-23174.5-66.1-174.748.500114V35 R36 Y45 I48V35-Q38 WeakPolarHBondContact O-CB 3.5Å; V35-Q38 PolarHBondContact O-N 2.97Å; R36-Q38 PolarHBondContact O-N 3.24Å; Q38-Y45 HydrophobicContact CB-CD2 3.98Å; Q38-Y45 HydrophobicContact CG-CD2 4.29Å; Q38-I48 HydrophobicContact CG-CB 3.7Å; Q38-I48 HydrophobicContact CG-CG1 4.1Å; Q38-I48 HydrophobicContact CG-CG2 3.51Å
39R89.7Confident89.1Confident229 Ų22973.6 Ų73.686%0.86434%0.344SS*.THydrogen-bonded Turntrans-91.2-6.2-179.2-59-174.9179.9-175.2-1.4113.9R36 L37R36-R39 PolarHBondContact O-N 3.47Å; R36-R39 VanDerWaalsContact O-N 3.07Å; L37-R39 PolarHBondContact O-N 3.28Å
40V92.9Very high89.5Confident93 Ų9372.7 Ų72.756%0.56434%0.341SS*.THydrogen-bonded Turntrans-77.9-46.6-174.4176.90000111.3L37 F44L37-V40 HydrophobicContact CD2-CG2 4.18Å; L37-V40 WeakPolarHBondContact O-CB 3.45Å; L37-V40 PolarHBondContact O-N 3.47Å; V40-F44 HydrophobicContact CB-CB 4.35Å; V40-F44 HydrophobicContact CB-CD2 3.84Å; V40-F44 HydrophobicContact CB-CE2 4.49Å; V40-F44 HydrophobicContact CB-CG 4.27Å; V40-F44 HydrophobicContact CG1-CD2 3.59Å; V40-F44 HydrophobicContact CG1-CE2 3.85Å; V40-F44 HydrophobicContact CG1-CG 4.47Å
41S94.3Very high90Very high45 Ų4570.8 Ų70.832%0.31533%0.325SS..  trans-160.1166.6178.379.80000111.2Q43 F44 Y45S41-Q43 PolarHBondContact O-N 2.91Å; S41-Q43 PolarHBondContact OG-N 2.9Å; S41-F44 PolarHBondContact O-N 3.14Å; S41-F44 WeakPolarHBondContact OG-CD2 3.24Å; S41-F44 PolarHBondContact OG-N 3.09Å; S41-Y45 PolarHBondContact O-N 3.38Å
42K95.2Very high90.5Very high194 Ų19469.5 Ų69.584%0.84332%0.318SS*.Hα-helixtrans-59.5-35172.3-66.7-176.4-179.9179.50112.4Y45 A46K42-Y45 WeakPolarHBondContact O-CB 3.45Å; K42-Y45 PolarHBondContact O-N 3.14Å; K42-A46 PolarHBondContact O-N 3.43Å
43Q95.2Very high91.1Very high114 Ų11464.5 Ų64.553%0.53331%0.305SS..Hα-helixtrans-70.1-44.3178-67.5178-9.500111.3L13 S41 Y45 A46 L47L13-Q43 HydrophobicContact CD1-CB 3.76Å; S41-Q43 PolarHBondContact O-N 2.91Å; S41-Q43 PolarHBondContact OG-N 2.9Å; Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 3.14Å; Q43-A46 PolarHBondContact O-N 2.96Å; Q43-L47 WeakPolarHBondContact O-CB 3.39Å; Q43-L47 PolarHBondContact O-N 2.75Å
44F93.9Very high91.4Very high34 Ų3463.3 Ų63.315%0.14930%0.302CS..Hα-helixtrans-63.2-39.1173.3-85.4-72.3000111.8L13 F26 L37 V40 S41 A46 L47 I48L13-F44 HydrophobicContact CD1-CD2 4.06Å; L13-F44 HydrophobicContact CD1-CE2 3.89Å; L13-F44 HydrophobicContact CD1-CZ 4.26Å; L13-F44 HydrophobicContact CD2-CD1 4.27Å; L13-F44 HydrophobicContact CD2-CE1 4Å; L13-F44 HydrophobicContact CD2-CZ 4.12Å; L13-F44 HydrophobicContact CG-CE2 4.5Å; L13-F44 HydrophobicContact CG-CZ 4.39Å; F26-F44 HydrophobicContact CZ-CD1 4.31Å; F26-F44 HydrophobicContact CZ-CE1 4.04Å; L37-F44 HydrophobicContact CB-CD1 4.25Å; L37-F44 HydrophobicContact CD1-CD1 4.5Å; L37-F44 HydrophobicContact CD2-CD1 4.41Å; L37-F44 HydrophobicContact CD2-CE1 4.37Å; L37-F44 VanDerWaalsContact O-CB 3.24Å; L37-F44 WeakPolarHBondContact O-CB 3.48Å; V40-F44 HydrophobicContact CB-CB 4.35Å; V40-F44 HydrophobicContact CB-CD2 3.84Å; V40-F44 HydrophobicContact CB-CE2 4.49Å; V40-F44 HydrophobicContact CB-CG 4.27Å; V40-F44 HydrophobicContact CG1-CD2 3.59Å; V40-F44 HydrophobicContact CG1-CE2 3.85Å; V40-F44 HydrophobicContact CG1-CG 4.47Å; S41-F44 PolarHBondContact O-N 3.14Å; S41-F44 WeakPolarHBondContact OG-CD2 3.24Å; S41-F44 PolarHBondContact OG-N 3.09Å; F44-A46 PolarHBondContact O-N 3.4Å; F44-L47 HydrophobicContact CD1-CD2 4.4Å; F44-L47 PolarHBondContact O-N 3.33Å; F44-I48 WeakPolarHBondContact O-CB 3.35Å; F44-I48 WeakPolarHBondContact O-CG1 3.46Å; F44-I48 PolarHBondContact O-N 2.85Å
45Y92.6Very high91.6Very high119 Ų11963.9 Ų63.947%0.46731%0.306SS..Hα-helixtrans-54.7-53.3173178.6-91.3000111.2Q38 S41 K42 Q43 L47 I48 Q49Q38-Y45 HydrophobicContact CB-CD2 3.98Å; Q38-Y45 HydrophobicContact CG-CD2 4.29Å; S41-Y45 PolarHBondContact O-N 3.38Å; K42-Y45 WeakPolarHBondContact O-CB 3.45Å; K42-Y45 PolarHBondContact O-N 3.14Å; Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 3.14Å; Y45-L47 PolarHBondContact O-N 3.28Å; Y45-I48 PolarHBondContact O-N 2.99Å; Y45-Q49 HydrophobicContact CD1-CG 4.16Å; Y45-Q49 HydrophobicContact CE1-CG 3.74Å; Y45-Q49 WeakPolarHBondContact O-CG 3.36Å; Y45-Q49 PolarHBondContact O-N 2.97Å
46A94.1Very high92.1Very high37 Ų3769.4 Ų69.431%0.30632%0.322SS..Hα-helixtrans-61.9-43.5179.700000112.5W17 K42 Q43 F44 I48 Q49 V50W17-A46 HydrophobicContact CH2-CB 3.68Å; W17-A46 HydrophobicContact CZ3-CB 3.73Å; K42-A46 PolarHBondContact O-N 3.43Å; Q43-A46 PolarHBondContact O-N 2.96Å; F44-A46 PolarHBondContact O-N 3.4Å; A46-I48 VanDerWaalsContact C-N 3.3Å; A46-I48 PolarHBondContact O-N 3.25Å; A46-Q49 WeakPolarHBondContact O-CB 3.46Å; A46-Q49 PolarHBondContact O-N 2.87Å; A46-Q49 VanDerWaalsContact O-N 3.11Å; A46-V50 PolarHBondContact O-N 2.99Å
47L93.8Very high92.3Very high0 Ų066.6 Ų66.60%032%0.32CS..Hα-helixtrans-59.5-41.6175.9172.259.9000111.8L13 W17 L21 V22 F26 Q43 F44 Y45 V50 Y51L13-L47 HydrophobicContact CD2-CD2 3.59Å; W17-L47 HydrophobicContact CB-CD1 3.64Å; W17-L47 HydrophobicContact CD2-CB 4.08Å; W17-L47 HydrophobicContact CD2-CD1 3.71Å; W17-L47 HydrophobicContact CD2-CG 4.43Å; W17-L47 HydrophobicContact CE3-CB 3.98Å; W17-L47 HydrophobicContact CE3-CD1 4.02Å; W17-L47 HydrophobicContact CG-CD1 3.55Å; W17-L47 HydrophobicContact CH2-CB 4.25Å; W17-L47 HydrophobicContact CZ2-CB 4.32Å; W17-L47 HydrophobicContact CZ3-CB 4.08Å; W17-L47 VanDerWaalsContact CZ3-N 3.33Å; L21-L47 HydrophobicContact CB-CD1 4.17Å; L21-L47 HydrophobicContact CB-CD2 4.45Å; L21-L47 HydrophobicContact CD1-CD1 4.15Å; L21-L47 HydrophobicContact CD1-CD2 3.64Å; V22-L47 HydrophobicContact CG2-CD1 4.21Å; F26-L47 HydrophobicContact CD2-CD2 4.32Å; F26-L47 HydrophobicContact CD2-CG 4.3Å; F26-L47 HydrophobicContact CE1-CD2 4.45Å; F26-L47 HydrophobicContact CE2-CD1 4.49Å; F26-L47 HydrophobicContact CE2-CD2 3.36Å; F26-L47 HydrophobicContact CE2-CG 3.64Å; F26-L47 HydrophobicContact CZ-CD2 3.44Å; F26-L47 VanDerWaalsContact CZ-CD2 3.44Å; F26-L47 HydrophobicContact CZ-CG 4.24Å; Q43-L47 WeakPolarHBondContact O-CB 3.39Å; Q43-L47 PolarHBondContact O-N 2.75Å; F44-L47 HydrophobicContact CD1-CD2 4.4Å; F44-L47 PolarHBondContact O-N 3.33Å; Y45-L47 PolarHBondContact O-N 3.28Å; L47-V50 PolarHBondContact O-N 3.43Å; L47-Y51 PolarHBondContact O-N 3.35Å
48I92.1Very high92.4Very high0 Ų064.8 Ų64.80%031%0.31CS..Hα-helixtrans-69.8-33.2176.7-62.1-65.1000111.3F26 L34 L37 Q38 F44 Y45 A46 V50 Y51 L52F26-I48 HydrophobicContact CD2-CD1 3.69Å; F26-I48 HydrophobicContact CE2-CD1 3.53Å; F26-I48 HydrophobicContact CE2-CG1 4.49Å; L34-I48 HydrophobicContact CB-CD1 4.03Å; L34-I48 HydrophobicContact CD2-CD1 3.61Å; L34-I48 HydrophobicContact CG-CD1 4.45Å; L34-I48 WeakPolarHBondContact O-CD1 3.36Å; L34-I48 WeakPolarHBondContact O-CG1 3.2Å; L37-I48 HydrophobicContact CB-CD1 4.07Å; L37-I48 HydrophobicContact CB-CG1 4.02Å; L37-I48 HydrophobicContact CD1-CD1 4.16Å; Q38-I48 HydrophobicContact CG-CB 3.7Å; Q38-I48 HydrophobicContact CG-CG1 4.1Å; Q38-I48 HydrophobicContact CG-CG2 3.51Å; F44-I48 WeakPolarHBondContact O-CB 3.35Å; F44-I48 WeakPolarHBondContact O-CG1 3.46Å; F44-I48 PolarHBondContact O-N 2.85Å; Y45-I48 PolarHBondContact O-N 2.99Å; A46-I48 VanDerWaalsContact C-N 3.3Å; A46-I48 PolarHBondContact O-N 3.25Å; I48-V50 VanDerWaalsContact C-N 3.34Å; I48-Y51 WeakPolarHBondContact O-CB 3.39Å; I48-Y51 PolarHBondContact O-N 3.27Å; I48-L52 HydrophobicContact CG2-CD1 3.83Å; I48-L52 HydrophobicContact CG2-CG 4.05Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3.15Å
49Q92.2Very high92.5Very high45 Ų4566.7 Ų66.721%0.2132%0.322CS..Hα-helixtrans-62.9-41.2171.4-62-46.7-46.500111.6Y45 A46 L52 A53Y45-Q49 HydrophobicContact CD1-CG 4.16Å; Y45-Q49 HydrophobicContact CE1-CG 3.74Å; Y45-Q49 WeakPolarHBondContact O-CG 3.36Å; Y45-Q49 PolarHBondContact O-N 2.97Å; A46-Q49 WeakPolarHBondContact O-CB 3.46Å; A46-Q49 PolarHBondContact O-N 2.87Å; A46-Q49 VanDerWaalsContact O-N 3.11Å; Q49-L52 PolarHBondContact O-N 3.01Å; Q49-A53 WeakPolarHBondContact O-CB 3.27Å; Q49-A53 PolarHBondContact O-N 3.21Å
50V92.1Very high92.3Very high34 Ų3455.8 Ų55.821%0.20628%0.281CS..Hα-helixtrans-62.3-43.8174.1174.20000111.3W17 E18 A46 L47 I48 L52 N54W17-V50 HydrophobicContact CE3-CB 4.45Å; W17-V50 HydrophobicContact CE3-CG2 3.96Å; W17-V50 HydrophobicContact CZ3-CG2 4.27Å; E18-V50 HydrophobicContact CG-CG1 3.55Å; A46-V50 PolarHBondContact O-N 2.99Å; L47-V50 PolarHBondContact O-N 3.43Å; I48-V50 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 2.9Å; V50-N54 WeakPolarHBondContact O-CB 3.42Å; V50-N54 PolarHBondContact O-N 3.17Å; V50-N54 PolarHBondContact O-ND2 2.81Å
51Y91.9Very high91.8Very high33 Ų3353.8 Ų53.813%0.12927%0.269CS..Hα-helixtrans-57.2-49.6173.4174.8-85.4000111.5V22 F26 L34 L47 I48 N54 C55V22-Y51 HydrophobicContact CB-CD2 4.45Å; V22-Y51 HydrophobicContact CG1-CD2 3.89Å; V22-Y51 HydrophobicContact CG2-CD2 4.26Å; F26-Y51 HydrophobicContact CB-CD2 3.8Å; F26-Y51 HydrophobicContact CB-CE2 4.06Å; L34-Y51 HydrophobicContact CD1-CD1 3.99Å; L34-Y51 HydrophobicContact CD1-CE1 3.4Å; L34-Y51 HydrophobicContact CD1-CE2 3.97Å; L47-Y51 PolarHBondContact O-N 3.35Å; I48-Y51 WeakPolarHBondContact O-CB 3.39Å; I48-Y51 PolarHBondContact O-N 3.27Å; Y51-N54 PolarHBondContact O-N 3.48Å; Y51-C55 HydrophobicContact CE1-CB 4.09Å; Y51-C55 WeakPolarHBondContact O-CB 3.5Å; Y51-C55 PolarHBondContact O-N 3.15Å
52L91.3Very high90.9Very high1 Ų159.8 Ų59.81%0.00529%0.292CS..Hα-helixtrans-69.3-35.2-175.3-71.4174.2000112.4L31 I48 Q49 V50 N54 C55 I75 N79L31-L52 HydrophobicContact CD1-CD2 4.05Å; I48-L52 HydrophobicContact CG2-CD1 3.83Å; I48-L52 HydrophobicContact CG2-CG 4.05Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3.15Å; Q49-L52 PolarHBondContact O-N 3.01Å; V50-L52 PolarHBondContact O-N 2.9Å; L52-N54 PolarHBondContact O-N 3.25Å; L52-C55 PolarHBondContact O-SG 3.05Å; L52-C55 VanDerWaalsContact O-SG 3.33Å; L52-I75 HydrophobicContact CD1-CB 4.28Å; L52-I75 HydrophobicContact CD1-CG1 4.14Å; L52-I75 HydrophobicContact CD1-CG2 3.86Å; L52-I75 HydrophobicContact CD2-CG2 3.55Å; L52-I75 HydrophobicContact CG-CG2 4.19Å; L52-N79 PolarHBondContact O-ND2 3.07Å
53A92.5Very high89.9Confident27 Ų2751.1 Ų51.122%0.22326%0.255CS..Hα-helixtrans-66.4-28.1175.100000112.7Q49 V81Q49-A53 WeakPolarHBondContact O-CB 3.27Å; Q49-A53 PolarHBondContact O-N 3.21Å; A53-V81 WeakPolarHBondContact O-CG2 3.41Å
54N91Very high88.9Confident72 Ų7245.7 Ų45.739%0.38523%0.229SC..Hα-helixtrans-105.4-3.4-175.4-72.5-68000114.5V50 Y51 L52 R56V50-N54 WeakPolarHBondContact O-CB 3.42Å; V50-N54 PolarHBondContact O-N 3.17Å; V50-N54 PolarHBondContact O-ND2 2.81Å; Y51-N54 PolarHBondContact O-N 3.48Å; L52-N54 PolarHBondContact O-N 3.25Å; N54-R56 PolarHBondContact O-N 3.2Å
55C90.6Very high88Confident12 Ų1248.5 Ų48.58%0.08125%0.251CS..  trans-70.9131.4-177.973.30000111Y51 L52 N79Y51-C55 HydrophobicContact CE1-CB 4.09Å; Y51-C55 WeakPolarHBondContact O-CB 3.5Å; Y51-C55 PolarHBondContact O-N 3.15Å; L52-C55 PolarHBondContact O-SG 3.05Å; L52-C55 VanDerWaalsContact O-SG 3.33Å; C55-N79 PolarHBondContact O-ND2 2.77Å; C55-N79 PolarHBondContact SG-ND2 2.9Å
56R93.4Very high87.3Confident154 Ų15447 Ų4758%0.58126%0.258SS*.SBendtrans-91.4-12.3178.5-62.8-174.6-178.6179.71.8113.3N54 Q83 N84N54-R56 PolarHBondContact O-N 3.2Å; R56-Q83 HydrophobicContact CB-CB 4.48Å; R56-Q83 HydrophobicContact CB-CG 4.47Å; R56-Q83 PolarHBondContact O-N 3.15Å; R56-N84 PolarHBondContact O-N 2.91Å
57T92.2Very high86.6Confident77 Ų7746 Ų4647%0.47225%0.247SC..EExtended strand (participates in β ladder)trans-129.3128.8179.7-60.50000109.2N84T57-N84 WeakPolarHBondContact CA-O 3.25Å; T57-N84 HydrophobicContact CG2-CB 4.03Å; T57-N84 PolarHBondContact OG1-ND2 2.67Å
58F91.5Very high86Confident3 Ų349.9 Ų49.91%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-131.4112174.8-169.2-99.6000109.1L31 L60 F72 I75 L76 L82 N84 L85 S86L31-F58 HydrophobicContact CD1-CE2 3.96Å; L31-F58 HydrophobicContact CD2-CD2 3.89Å; L31-F58 HydrophobicContact CD2-CE2 3.28Å; L31-F58 HydrophobicContact CD2-CZ 3.68Å; L31-F58 HydrophobicContact CG-CE2 4.25Å; F58-L60 HydrophobicContact CD1-CD2 4.27Å; F58-L60 HydrophobicContact CD1-CG 4.21Å; F58-L60 HydrophobicContact CE1-CD1 4.04Å; F58-L60 HydrophobicContact CE1-CD2 3.37Å; F58-L60 HydrophobicContact CE1-CG 3.6Å; F58-L60 HydrophobicContact CZ-CD2 3.58Å; F58-L60 HydrophobicContact CZ-CG 4.33Å; F58-F72 HydrophobicContact CD1-CE2 4.35Å; F58-F72 AromaticContact CE1-CD2 3.81Å; F58-F72 HydrophobicContact CE1-CD2 3.81Å; F58-F72 AromaticContact CE1-CE2 3.84Å; F58-F72 HydrophobicContact CE1-CE2 3.84Å; F58-F72 HydrophobicContact CZ-CD2 4.44Å; F58-I75 HydrophobicContact CD2-CG2 4.19Å; F58-I75 HydrophobicContact CE2-CB 4.44Å; F58-I75 HydrophobicContact CE2-CG2 3.27Å; F58-I75 HydrophobicContact CZ-CB 4.43Å; F58-I75 HydrophobicContact CZ-CG2 3.68Å; F58-L76 HydrophobicContact CB-CD2 4.14Å; F58-L76 HydrophobicContact CD1-CD1 3.74Å; F58-L76 HydrophobicContact CD1-CD2 4.15Å; F58-L76 HydrophobicContact CD1-CG 4.25Å; F58-L76 HydrophobicContact CD2-CD2 3.77Å; F58-L76 HydrophobicContact CD2-CG 4.45Å; F58-L76 HydrophobicContact CE1-CD1 3.87Å; F58-L76 HydrophobicContact CE1-CD2 4.48Å; F58-L76 HydrophobicContact CE1-CG 4.22Å; F58-L76 HydrophobicContact CE2-CD2 4.17Å; F58-L76 HydrophobicContact CE2-CG 4.46Å; F58-L76 HydrophobicContact CG-CD1 4.18Å; F58-L76 HydrophobicContact CG-CD2 3.75Å; F58-L76 HydrophobicContact CG-CG 4.33Å; F58-L76 HydrophobicContact CZ-CD1 4.47Å; F58-L76 HydrophobicContact CZ-CD2 4.49Å; F58-L76 HydrophobicContact CZ-CG 4.32Å; F58-L82 HydrophobicContact CB-CD1 3.68Å; F58-L82 HydrophobicContact CB-CD2 4.12Å; F58-N84 PolarHBondContact N-O 3.38Å; F58-L85 HydrophobicContact CB-CD1 4.38Å; F58-L85 HydrophobicContact CD1-CD1 3.98Å; F58-S86 PolarHBondContact O-N 3.16Å
59D89.1Confident85.7Confident77 Ų7755.1 Ų55.141%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-128.4117.2-173.7-171.4-10.9000110.9T61 S86D59-T61 WeakPolarHBondContact OD1-CB 3.36Å; D59-T61 PolarHBondContact OD1-N 3.4Å; D59-T61 PolarHBondContact OD1-OG1 3Å; D59-T61 PolarHBondContact OD2-OG1 3.08Å; D59-S86 WeakPolarHBondContact OD1-CB 3.43Å; D59-S86 PolarHBondContact OD1-OG 2.74Å; D59-S86 VanDerWaalsContact OD1-OG 3.06Å
60L87Confident85.3Confident0 Ų059.3 Ų59.30%032%0.315CS..  trans-91.70.8-179.4-65.1-174.4000114.2L31 F58 Q62 I63 G64 L67 F72 S86 V87 W93L31-L60 HydrophobicContact CD2-CD2 4.14Å; F58-L60 HydrophobicContact CD1-CD2 4.27Å; F58-L60 HydrophobicContact CD1-CG 4.21Å; F58-L60 HydrophobicContact CE1-CD1 4.04Å; F58-L60 HydrophobicContact CE1-CD2 3.37Å; F58-L60 HydrophobicContact CE1-CG 3.6Å; F58-L60 HydrophobicContact CZ-CD2 3.58Å; F58-L60 HydrophobicContact CZ-CG 4.33Å; L60-Q62 PolarHBondContact O-N 3.15Å; L60-I63 HydrophobicContact CD2-CD1 3.84Å; L60-I63 HydrophobicContact CD2-CG1 3.82Å; L60-I63 CarbonylContact O-C 3.49Å; L60-I63 PolarHBondContact O-N 3.49Å; L60-G64 WeakPolarHBondContact O-CA 3.44Å; L60-G64 PolarHBondContact O-N 3.04Å; L60-L67 HydrophobicContact CD1-CD2 4.16Å; L60-L67 HydrophobicContact CD2-CD2 3.62Å; L60-F72 HydrophobicContact CD1-CD2 3.86Å; L60-F72 HydrophobicContact CD1-CE2 4.11Å; L60-S86 PolarHBondContact N-O 2.85Å; L60-V87 HydrophobicContact CD1-CB 4.49Å; L60-V87 HydrophobicContact CD1-CG1 4.12Å; L60-W93 HydrophobicContact CD1-CH2 4.06Å; L60-W93 HydrophobicContact CD1-CZ2 3.98Å
61T81.3Confident84.9Confident51 Ų5159 Ų5931%0.31332%0.316SS..THydrogen-bonded Turntrans-47.6-38.7-174.9-52.40000114.1D59 Q88D59-T61 WeakPolarHBondContact OD1-CB 3.36Å; D59-T61 PolarHBondContact OD1-N 3.4Å; D59-T61 PolarHBondContact OD1-OG1 3Å; D59-T61 PolarHBondContact OD2-OG1 3.08Å; T61-Q88 HydrophobicContact CG2-CG 4.36Å; T61-Q88 VanDerWaalsContact CG2-NE2 3.27Å; T61-Q88 PolarHBondContact OG1-NE2 3.06Å
62Q75.5Confident84.8Confident172 Ų17257.4 Ų57.480%0.80431%0.309SS*.THydrogen-bonded Turntrans-91.6-11.7-175.5-61.7-61.4-27.400114.5L60L60-Q62 PolarHBondContact O-N 3.15Å
63I75.5Confident84.7Confident11 Ų1159.8 Ų59.86%0.05633%0.326CS..THydrogen-bonded Turntrans-134.3-8.8-17360.2169.8000114.4L31 R32 L60 S66 L67L31-I63 HydrophobicContact CB-CD1 4.27Å; L31-I63 HydrophobicContact CD2-CD1 3.51Å; L31-I63 HydrophobicContact CG-CD1 3.77Å; R32-I63 HydrophobicContact CB-CG2 3.64Å; R32-I63 HydrophobicContact CG-CG2 3.99Å; L60-I63 HydrophobicContact CD2-CD1 3.84Å; L60-I63 HydrophobicContact CD2-CG1 3.82Å; L60-I63 CarbonylContact O-C 3.49Å; L60-I63 PolarHBondContact O-N 3.49Å; I63-S66 CarbonylContact O-C 3.6Å; I63-S66 WeakPolarHBondContact O-CA 3.24Å; I63-S66 PolarHBondContact O-N 2.71Å; I63-S66 PolarHBondContact O-OG 2.72Å; I63-L67 HydrophobicContact CD1-CD1 4.4Å; I63-L67 PolarHBondContact O-N 2.84Å
64G72.4Confident84.4Confident0 Ų062 Ų620%033%0.334CS..G310 helixtrans-52.4-53.1-169.700000113.7L60 S66 L67 C90 W93L60-G64 WeakPolarHBondContact O-CA 3.44Å; L60-G64 PolarHBondContact O-N 3.04Å; G64-S66 PolarHBondContact O-N 3.43Å; G64-S66 VanDerWaalsContact O-N 3.1Å; G64-L67 PolarHBondContact O-N 2.9Å; G64-C90 WeakPolarHBondContact CA-SG 3.44Å; G64-W93 PolarHBondContact O-NE1 2.9Å
65P75.6Confident84.3Confident94 Ų9459.1 Ų59.161%0.6132%0.319SS*.G310 helixtrans-61-22.8178.4-25.534.9000114.1
66S77.4Confident84.4Confident88 Ų8858.6 Ų58.662%0.61532%0.315SS*.G310 helixtrans-101.3-9.4-177.869.10000114.2I63 G64 P68I63-S66 CarbonylContact O-C 3.6Å; I63-S66 WeakPolarHBondContact O-CA 3.24Å; I63-S66 PolarHBondContact O-N 2.71Å; I63-S66 PolarHBondContact O-OG 2.72Å; G64-S66 PolarHBondContact O-N 3.43Å; G64-S66 VanDerWaalsContact O-N 3.1Å; S66-P68 WeakPolarHBondContact O-CD 3.22Å
67L79.8Confident84.3Confident15 Ų1558.3 Ų58.38%0.07931%0.314CS..SBendtrans-85.5121.6-175.4-169.275.5000109.8L60 I63 G64 A71 F72 I75 W93L60-L67 HydrophobicContact CD1-CD2 4.16Å; L60-L67 HydrophobicContact CD2-CD2 3.62Å; I63-L67 HydrophobicContact CD1-CD1 4.4Å; I63-L67 PolarHBondContact O-N 2.84Å; G64-L67 PolarHBondContact O-N 2.9Å; L67-A71 HydrophobicContact CD1-CB 3.78Å; L67-A71 HydrophobicContact CG-CB 4.07Å; L67-F72 HydrophobicContact CD2-CB 3.99Å; L67-I75 HydrophobicContact CD1-CD1 4.14Å; L67-I75 HydrophobicContact CD2-CD1 4.47Å; L67-W93 HydrophobicContact CB-CZ2 4.25Å; L67-W93 HydrophobicContact CD2-CH2 4.39Å; L67-W93 HydrophobicContact CD2-CZ2 4.28Å; L67-W93 VanDerWaalsContact O-CE2 3.24Å; L67-W93 PolarHBondContact O-NE1 3.35Å; L67-W93 VanDerWaalsContact O-NE1 3.12Å
68P80.8Confident84.3Confident81 Ų8159.6 Ų59.653%0.52632%0.318SS..  trans-65.2146.9173.5-20.532.7000111.9S66 E70 A71 F72S66-P68 WeakPolarHBondContact O-CD 3.22Å; P68-E70 PolarHBondContact O-N 3.22Å; P68-A71 HydrophobicContact CB-CB 4.38Å; P68-A71 WeakPolarHBondContact O-CA 3.34Å; P68-A71 VanDerWaalsContact O-CB 3.31Å; P68-A71 WeakPolarHBondContact O-CB 3.3Å; P68-A71 PolarHBondContact O-N 3.1Å; P68-F72 PolarHBondContact O-N 3.25Å
69K85.7Confident84.5Confident111 Ų11159.4 Ų59.448%0.48332%0.317SS..Hα-helixtrans-51-41.6176.368.8178.3-174.6171.60113.8A71 F72 C73 W93 E98K69-A71 VanDerWaalsContact C-N 3.28Å; K69-A71 PolarHBondContact O-N 3.09Å; K69-F72 WeakPolarHBondContact O-CB 3.38Å; K69-F72 PolarHBondContact O-N 2.8Å; K69-C73 PolarHBondContact O-N 2.84Å; K69-C73 VanDerWaalsContact O-N 3.15Å; K69-C73 PolarHBondContact O-SG 2.99Å; K69-W93 VanDerWaalsContact CA-CE3 3.49Å; K69-W93 HydrophobicContact CB-CD2 4.41Å; K69-W93 HydrophobicContact CB-CE3 3.65Å; K69-W93 HydrophobicContact CB-CZ3 4.27Å; K69-E98 HydrophobicContact CB-CG 4.17Å
70E85.1Confident84.8Confident132 Ų13262.3 Ų62.362%0.61733%0.326SS*.Hα-helixtrans-66.5-34.4179.8-65.7-180-177.400111.4P68 N74P68-E70 PolarHBondContact O-N 3.22Å; E70-N74 VanDerWaalsContact O-CB 3.22Å; E70-N74 WeakPolarHBondContact O-CB 3.39Å; E70-N74 PolarHBondContact O-N 2.88Å; E70-N74 PolarHBondContact O-ND2 3.41Å; E70-N74 VanDerWaalsContact O-ND2 3.1Å
71A83.9Confident85.3Confident27 Ų2765.1 Ų65.122%0.22334%0.343CS..Hα-helixtrans-66.8-41.7176.700000110.7L67 P68 K69 N74 I75L67-A71 HydrophobicContact CD1-CB 3.78Å; L67-A71 HydrophobicContact CG-CB 4.07Å; P68-A71 HydrophobicContact CB-CB 4.38Å; P68-A71 WeakPolarHBondContact O-CA 3.34Å; P68-A71 VanDerWaalsContact O-CB 3.31Å; P68-A71 WeakPolarHBondContact O-CB 3.3Å; P68-A71 PolarHBondContact O-N 3.1Å; K69-A71 VanDerWaalsContact C-N 3.28Å; K69-A71 PolarHBondContact O-N 3.09Å; A71-N74 PolarHBondContact O-N 3.05Å; A71-I75 HydrophobicContact CB-CD1 4.44Å; A71-I75 VanDerWaalsContact O-CB 3.24Å; A71-I75 WeakPolarHBondContact O-CB 3.44Å; A71-I75 VanDerWaalsContact O-CD1 3.29Å; A71-I75 WeakPolarHBondContact O-CD1 3.37Å; A71-I75 WeakPolarHBondContact O-CG1 3.41Å; A71-I75 PolarHBondContact O-N 3.29Å
72F89.3Confident86Confident0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-57.7-53174.4175-102.5000112.3F58 L60 L67 P68 K69 N74 I75 L76 V87 W93 E98 V102F58-F72 HydrophobicContact CD1-CE2 4.35Å; F58-F72 AromaticContact CE1-CD2 3.81Å; F58-F72 HydrophobicContact CE1-CD2 3.81Å; F58-F72 AromaticContact CE1-CE2 3.84Å; F58-F72 HydrophobicContact CE1-CE2 3.84Å; F58-F72 HydrophobicContact CZ-CD2 4.44Å; L60-F72 HydrophobicContact CD1-CD2 3.86Å; L60-F72 HydrophobicContact CD1-CE2 4.11Å; L67-F72 HydrophobicContact CD2-CB 3.99Å; P68-F72 PolarHBondContact O-N 3.25Å; K69-F72 WeakPolarHBondContact O-CB 3.38Å; K69-F72 PolarHBondContact O-N 2.8Å; F72-N74 VanDerWaalsContact C-N 3.29Å; F72-N74 PolarHBondContact O-N 3.32Å; F72-I75 PolarHBondContact O-N 3.13Å; F72-L76 HydrophobicContact CD2-CD1 4.09Å; F72-L76 HydrophobicContact CE2-CD1 3.47Å; F72-L76 VanDerWaalsContact CE2-CD1 3.47Å; F72-L76 HydrophobicContact CZ-CD1 3.74Å; F72-L76 PolarHBondContact O-N 3.39Å; F72-L76 VanDerWaalsContact O-N 3.1Å; F72-V87 HydrophobicContact CE2-CG1 3.84Å; F72-V87 HydrophobicContact CZ-CG1 4.07Å; F72-W93 HydrophobicContact CB-CH2 3.32Å; F72-W93 HydrophobicContact CB-CZ2 4.42Å; F72-W93 HydrophobicContact CB-CZ3 3.51Å; F72-W93 HydrophobicContact CD1-CH2 4.15Å; F72-W93 AromaticContact CD1-CZ3 3.96Å; F72-W93 HydrophobicContact CD1-CZ3 3.96Å; F72-W93 AromaticContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CZ3 4.46Å; F72-W93 AromaticContact CG-CH2 3.51Å; F72-W93 HydrophobicContact CG-CH2 3.51Å; F72-W93 AromaticContact CG-CZ3 3.74Å; F72-W93 HydrophobicContact CG-CZ3 3.74Å; F72-E98 HydrophobicContact CD1-CB 4.04Å; F72-E98 HydrophobicContact CE1-CB 4.16Å; F72-E98 WeakPolarHBondContact CE1-O 3.4Å; F72-V102 HydrophobicContact CE1-CG2 3.74Å; F72-V102 HydrophobicContact CZ-CG2 3.84Å
73C89.2Confident87Confident52 Ų5257.4 Ų57.435%0.35130%0.303SS..Hα-helixtrans-61-39.1179.2-63.40000111.9K69 R77K69-C73 PolarHBondContact O-N 2.84Å; K69-C73 VanDerWaalsContact O-N 3.15Å; K69-C73 PolarHBondContact O-SG 2.99Å; C73-R77 WeakPolarHBondContact O-CA 3.49Å; C73-R77 WeakPolarHBondContact O-CB 3.28Å; C73-R77 PolarHBondContact O-N 3.29Å
74N86.4Confident88.1Confident74 Ų7458.9 Ų58.940%0.39631%0.311SS..Hα-helixtrans-70-39.8178.5-70.5-20000112.3E70 A71 F72 R77E70-N74 VanDerWaalsContact O-CB 3.22Å; E70-N74 WeakPolarHBondContact O-CB 3.39Å; E70-N74 PolarHBondContact O-N 2.88Å; E70-N74 PolarHBondContact O-ND2 3.41Å; E70-N74 VanDerWaalsContact O-ND2 3.1Å; A71-N74 PolarHBondContact O-N 3.05Å; F72-N74 VanDerWaalsContact C-N 3.29Å; F72-N74 PolarHBondContact O-N 3.32Å; N74-R77 PolarHBondContact OD1-NH2 2.98Å
75I88.4Confident89.2Confident11 Ų1159 Ų596%0.05631%0.312CS..Hα-helixtrans-65.7-41.2-178.7-74.7163.9000111.2V35 L52 F58 L67 A71 F72V35-I75 HydrophobicContact CG2-CD1 3.88Å; L52-I75 HydrophobicContact CD1-CB 4.28Å; L52-I75 HydrophobicContact CD1-CG1 4.14Å; L52-I75 HydrophobicContact CD1-CG2 3.86Å; L52-I75 HydrophobicContact CD2-CG2 3.55Å; L52-I75 HydrophobicContact CG-CG2 4.19Å; F58-I75 HydrophobicContact CD2-CG2 4.19Å; F58-I75 HydrophobicContact CE2-CB 4.44Å; F58-I75 HydrophobicContact CE2-CG2 3.27Å; F58-I75 HydrophobicContact CZ-CB 4.43Å; F58-I75 HydrophobicContact CZ-CG2 3.68Å; L67-I75 HydrophobicContact CD1-CD1 4.14Å; L67-I75 HydrophobicContact CD2-CD1 4.47Å; A71-I75 HydrophobicContact CB-CD1 4.44Å; A71-I75 VanDerWaalsContact O-CB 3.24Å; A71-I75 WeakPolarHBondContact O-CB 3.44Å; A71-I75 VanDerWaalsContact O-CD1 3.29Å; A71-I75 WeakPolarHBondContact O-CD1 3.37Å; A71-I75 WeakPolarHBondContact O-CG1 3.41Å; A71-I75 PolarHBondContact O-N 3.29Å; F72-I75 PolarHBondContact O-N 3.13Å
76L92.2Very high90.2Very high1 Ų155.1 Ų55.11%0.00529%0.287CS..Hα-helixtrans-95.5-1-176.8-66.1180000113.8F58 F72 D78 N79 L85 V102 Q105F58-L76 HydrophobicContact CB-CD2 4.14Å; F58-L76 HydrophobicContact CD1-CD1 3.74Å; F58-L76 HydrophobicContact CD1-CD2 4.15Å; F58-L76 HydrophobicContact CD1-CG 4.25Å; F58-L76 HydrophobicContact CD2-CD2 3.77Å; F58-L76 HydrophobicContact CD2-CG 4.45Å; F58-L76 HydrophobicContact CE1-CD1 3.87Å; F58-L76 HydrophobicContact CE1-CD2 4.48Å; F58-L76 HydrophobicContact CE1-CG 4.22Å; F58-L76 HydrophobicContact CE2-CD2 4.17Å; F58-L76 HydrophobicContact CE2-CG 4.46Å; F58-L76 HydrophobicContact CG-CD1 4.18Å; F58-L76 HydrophobicContact CG-CD2 3.75Å; F58-L76 HydrophobicContact CG-CG 4.33Å; F58-L76 HydrophobicContact CZ-CD1 4.47Å; F58-L76 HydrophobicContact CZ-CD2 4.49Å; F58-L76 HydrophobicContact CZ-CG 4.32Å; F72-L76 HydrophobicContact CD2-CD1 4.09Å; F72-L76 HydrophobicContact CE2-CD1 3.47Å; F72-L76 VanDerWaalsContact CE2-CD1 3.47Å; F72-L76 HydrophobicContact CZ-CD1 3.74Å; F72-L76 PolarHBondContact O-N 3.39Å; F72-L76 VanDerWaalsContact O-N 3.1Å; L76-D78 VanDerWaalsContact C-N 3.28Å; L76-D78 PolarHBondContact O-N 3.31Å; L76-D78 VanDerWaalsContact O-N 3.15Å; L76-N79 HydrophobicContact CD2-CB 4.18Å; L76-N79 PolarHBondContact O-N 3.2Å; L76-N79 VanDerWaalsContact O-N 3.08Å; L76-L85 HydrophobicContact CD1-CD1 4.26Å; L76-V102 HydrophobicContact CB-CG2 3.97Å; L76-V102 HydrophobicContact CD1-CB 4.45Å; L76-V102 HydrophobicContact CD1-CG1 3.66Å; L76-V102 HydrophobicContact CD1-CG2 3.89Å; L76-Q105 PolarHBondContact O-NE2 3.27Å
77R91.8Very high90.9Very high148 Ų14851 Ų5156%0.55826%0.258SS*.THydrogen-bonded Turntrans-47.9-48.5-174.4-173.4-174.4-65-170.8-1.4113.5C73 N74 Q105C73-R77 WeakPolarHBondContact O-CA 3.49Å; C73-R77 WeakPolarHBondContact O-CB 3.28Å; C73-R77 PolarHBondContact O-N 3.29Å; N74-R77 PolarHBondContact OD1-NH2 2.98Å; R77-Q105 PolarHBondContact O-NE2 3.07Å
78D93.4Very high91.2Very high103 Ų10351.7 Ų51.755%0.55126%0.261SS*.THydrogen-bonded Turntrans-101.93.2-174.1-61-49000113L76 K80L76-D78 VanDerWaalsContact C-N 3.28Å; L76-D78 PolarHBondContact O-N 3.31Å; L76-D78 VanDerWaalsContact O-N 3.15Å; D78-K80 PolarHBondContact O-N 3.35Å
79N95.1Very high91.2Very high0 Ų051.8 Ų51.80%026%0.257CS..  trans-82.8112.9-179.6-171.9-52.7000111.5L52 C55 L76 V81 L82 Q105 N106L52-N79 PolarHBondContact O-ND2 3.07Å; C55-N79 PolarHBondContact O-ND2 2.77Å; C55-N79 PolarHBondContact SG-ND2 2.9Å; L76-N79 HydrophobicContact CD2-CB 4.18Å; L76-N79 PolarHBondContact O-N 3.2Å; L76-N79 VanDerWaalsContact O-N 3.08Å; N79-V81 PolarHBondContact OD1-N 3.36Å; N79-V81 VanDerWaalsContact OD1-N 3.16Å; N79-L82 WeakPolarHBondContact OD1-CB 3.48Å; N79-L82 PolarHBondContact OD1-N 2.92Å; N79-L82 VanDerWaalsContact OD1-N 3.09Å; N79-Q105 PolarHBondContact O-NE2 3.39Å; N79-N106 PolarHBondContact O-ND2 2.99Å; N79-N106 PolarHBondContact O-OD1 2.89Å; N79-N106 PolarHBondContact OD1-OD1 2.9Å
80K96.3Very high90.9Very high138 Ų13846.5 Ų46.560%0.623%0.234SC*.  trans-119.112.8179.8-59179.3-177.11760113.2D78 N106D78-K80 PolarHBondContact O-N 3.35Å; K80-N106 VanDerWaalsContact CA-OD1 3.27Å; K80-N106 WeakPolarHBondContact CA-OD1 3.44Å
81V96Very high90.3Very high58 Ų5841.8 Ų41.835%0.35222%0.215SC..  trans-123.610.8-172.8-59.20000112.2A53 N79 Q83 N106A53-V81 WeakPolarHBondContact O-CG2 3.41Å; N79-V81 PolarHBondContact OD1-N 3.36Å; N79-V81 VanDerWaalsContact OD1-N 3.16Å; V81-Q83 PolarHBondContact O-N 3.1Å; V81-N106 PolarHBondContact N-OD1 2.95Å; V81-N106 VanDerWaalsContact N-OD1 3.15Å
82L96.1Very high90.1Very high0 Ų045.5 Ų45.50%023%0.232CC..  trans-65.7131.4-176.4-157.267.3000110.6F58 N79 L85 V102 N106 L109F58-L82 HydrophobicContact CB-CD1 3.68Å; F58-L82 HydrophobicContact CB-CD2 4.12Å; N79-L82 WeakPolarHBondContact OD1-CB 3.48Å; N79-L82 PolarHBondContact OD1-N 2.92Å; N79-L82 VanDerWaalsContact OD1-N 3.09Å; L82-L85 HydrophobicContact CD2-CB 3.8Å; L82-L85 HydrophobicContact CD2-CD1 3.85Å; L82-L85 HydrophobicContact CD2-CG 4.26Å; L82-V102 HydrophobicContact CD2-CG1 4.45Å; L82-N106 HydrophobicContact CB-CB 4.03Å; L82-N106 VanDerWaalsContact CB-CG 3.47Å; L82-N106 VanDerWaalsContact CB-OD1 3.25Å; L82-N106 WeakPolarHBondContact CB-OD1 3.42Å; L82-N106 PolarHBondContact N-OD1 3.12Å; L82-L109 HydrophobicContact CB-CD2 4.09Å; L82-L109 HydrophobicContact CD2-CD2 4.07Å; L82-L109 HydrophobicContact CG-CD2 3.94Å
83Q97.7Very high89.9Confident62 Ų6247.1 Ų47.129%0.2924%0.238SC..  trans-113.8-29.6176.4-65.8-178.6-4.700111.4R56 V81 L110 R111R56-Q83 HydrophobicContact CB-CB 4.48Å; R56-Q83 HydrophobicContact CB-CG 4.47Å; R56-Q83 PolarHBondContact O-N 3.15Å; V81-Q83 PolarHBondContact O-N 3.1Å; Q83-L110 PolarHBondContact O-N 3.05Å; Q83-R111 PolarHBondContact O-N 2.93Å
84N97.6Very high90.1Very high42 Ų4244.6 Ų44.623%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-127.5117.5-179.9-51-51.4000109.9R56 T57 F58 R111R56-N84 PolarHBondContact O-N 2.91Å; T57-N84 WeakPolarHBondContact CA-O 3.25Å; T57-N84 HydrophobicContact CG2-CB 4.03Å; T57-N84 PolarHBondContact OG1-ND2 2.67Å; F58-N84 PolarHBondContact N-O 3.38Å; N84-R111 WeakPolarHBondContact CA-O 3.47Å; N84-R111 HydrophobicContact CB-CB 4.31Å; N84-R111 WeakPolarHBondContact OD1-CB 3.46Å; N84-R111 WeakPolarHBondContact OD1-CD 3.33Å; N84-R111 WeakPolarHBondContact OD1-CG 3.43Å
85L96.5Very high90.5Very high3 Ų342.8 Ų42.82%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-119.5125.7176.317861000109.6F58 L76 L82 V87 L99 V102 I103 L109 R111 V112 D113F58-L85 HydrophobicContact CB-CD1 4.38Å; F58-L85 HydrophobicContact CD1-CD1 3.98Å; L76-L85 HydrophobicContact CD1-CD1 4.26Å; L82-L85 HydrophobicContact CD2-CB 3.8Å; L82-L85 HydrophobicContact CD2-CD1 3.85Å; L82-L85 HydrophobicContact CD2-CG 4.26Å; L85-V87 HydrophobicContact CD1-CG1 3.94Å; L85-V87 HydrophobicContact CG-CG1 4.27Å; L85-L99 HydrophobicContact CD2-CD1 3.8Å; L85-V102 HydrophobicContact CD2-CG1 3.94Å; L85-I103 HydrophobicContact CD2-CD1 3.85Å; L85-L109 HydrophobicContact CB-CD2 3.85Å; L85-R111 PolarHBondContact N-O 2.94Å; L85-V112 CarbonylContact O-C 3.59Å; L85-V112 VanDerWaalsContact O-CA 3.28Å; L85-V112 WeakPolarHBondContact O-CA 3.43Å; L85-D113 PolarHBondContact O-N 2.99Å
86S94.9Very high90.9Very high12 Ų1243.4 Ų43.48%0.08422%0.216CC..EExtended strand (participates in β ladder)trans-128.1115.7171.5169.60000109.3F58 D59 L60 D113F58-S86 PolarHBondContact O-N 3.16Å; D59-S86 WeakPolarHBondContact OD1-CB 3.43Å; D59-S86 PolarHBondContact OD1-OG 2.74Å; D59-S86 VanDerWaalsContact OD1-OG 3.06Å; L60-S86 PolarHBondContact N-O 2.85Å; S86-D113 WeakPolarHBondContact CA-O 3.28Å
87V93.1Very high91.1Very high0 Ų048.4 Ų48.40%025%0.246CC..  trans-113.721.8174.4-62.60000111.2L60 F72 L85 C90 D113 M114 C117L60-V87 HydrophobicContact CD1-CB 4.49Å; L60-V87 HydrophobicContact CD1-CG1 4.12Å; F72-V87 HydrophobicContact CE2-CG1 3.84Å; F72-V87 HydrophobicContact CZ-CG1 4.07Å; L85-V87 HydrophobicContact CD1-CG1 3.94Å; L85-V87 HydrophobicContact CG-CG1 4.27Å; V87-C90 VanDerWaalsContact O-CB 3.24Å; V87-C90 WeakPolarHBondContact O-CB 3.38Å; V87-C90 PolarHBondContact O-N 3.19Å; V87-C90 PolarHBondContact O-SG 2.92Å; V87-D113 PolarHBondContact N-O 3.1Å; V87-M114 HydrophobicContact CG2-CB 4.36Å; V87-M114 HydrophobicContact CG2-CG 3.83Å; V87-C117 PolarHBondContact O-SG 2.87Å
88Q86.7Confident91.2Very high30 Ų3042.4 Ų42.414%0.1423%0.225CC..THydrogen-bonded Turntrans-56144-17468173.9-32.200113T61 C90 R115T61-Q88 HydrophobicContact CG2-CG 4.36Å; T61-Q88 VanDerWaalsContact CG2-NE2 3.27Å; T61-Q88 PolarHBondContact OG1-NE2 3.06Å; Q88-C90 PolarHBondContact O-N 3.47Å; Q88-R115 CarbonylContact C-O 3.59Å; Q88-R115 VanDerWaalsContact CA-O 3.3Å; Q88-R115 WeakPolarHBondContact CA-O 3.32Å; Q88-R115 HydrophobicContact CB-CB 4.05Å
89N79.1Confident91.3Very high83 Ų8337.5 Ų37.544%0.44420%0.198SC..THydrogen-bonded Turntrans53.923179.5-55.3-39.7000114.2S91 R115N89-S91 PolarHBondContact O-N 2.79Å; N89-R115 PolarHBondContact N-O 3.32Å
90C80.3Confident91.4Very high1 Ų140.4 Ų40.41%0.00721%0.214CC..  trans-85.342.5168.7-59.40000110.9G64 V87 Q88 D92 W93 V94G64-C90 WeakPolarHBondContact CA-SG 3.44Å; V87-C90 VanDerWaalsContact O-CB 3.24Å; V87-C90 WeakPolarHBondContact O-CB 3.38Å; V87-C90 PolarHBondContact O-N 3.19Å; V87-C90 PolarHBondContact O-SG 2.92Å; Q88-C90 PolarHBondContact O-N 3.47Å; C90-D92 VanDerWaalsContact C-N 3.26Å; C90-D92 PolarHBondContact O-N 2.52Å; C90-W93 HydrophobicContact CB-CZ2 4.05Å; C90-V94 HydrophobicContact CB-CB 4.04Å; C90-V94 HydrophobicContact CB-CG2 3.43Å; C90-V94 VanDerWaalsContact CB-CG2 3.43Å; C90-V94 PolarHBondContact O-N 2.88Å; C90-V94 VanDerWaalsContact O-N 3.17Å
91S72.1Confident91.5Very high32 Ų3237.3 Ų37.322%0.22421%0.208CC..THydrogen-bonded Turntrans-61.7-28-169.751.70000114N89 G116 R119N89-S91 PolarHBondContact O-N 2.79Å; S91-G116 WeakPolarHBondContact CB-O 3.31Å; S91-R119 VanDerWaalsContact O-CD 3.31Å; S91-R119 WeakPolarHBondContact O-CD 3.38Å; S91-R119 VanDerWaalsContact O-CG 3.3Å; S91-R119 WeakPolarHBondContact O-CG 3.35Å; S91-R119 PolarHBondContact O-NE 3.46Å
92D79.4Confident91.5Very high106 Ų10634.7 Ų34.757%0.56719%0.192SC*.THydrogen-bonded Turntrans-82.9-21.2-171.1-66.2-28.2000114.1C90 R119C90-D92 VanDerWaalsContact C-N 3.26Å; C90-D92 PolarHBondContact O-N 2.52Å; D92-R119 PolarHBondContact O-NE 3.49Å; D92-R119 PolarHBondContact O-NH1 2.92Å; D92-R119 PolarHBondContact O-NH2 3.46Å
93W86.7Confident91.5Very high33 Ų3334.7 Ų34.713%0.12519%0.192CC..THydrogen-bonded Turntrans-141.3-23.7-169.467.3-95.9000116L60 G64 L67 K69 F72 C90 T95L60-W93 HydrophobicContact CD1-CH2 4.06Å; L60-W93 HydrophobicContact CD1-CZ2 3.98Å; G64-W93 PolarHBondContact O-NE1 2.9Å; L67-W93 HydrophobicContact CB-CZ2 4.25Å; L67-W93 HydrophobicContact CD2-CH2 4.39Å; L67-W93 HydrophobicContact CD2-CZ2 4.28Å; L67-W93 VanDerWaalsContact O-CE2 3.24Å; L67-W93 PolarHBondContact O-NE1 3.35Å; L67-W93 VanDerWaalsContact O-NE1 3.12Å; K69-W93 VanDerWaalsContact CA-CE3 3.49Å; K69-W93 HydrophobicContact CB-CD2 4.41Å; K69-W93 HydrophobicContact CB-CE3 3.65Å; K69-W93 HydrophobicContact CB-CZ3 4.27Å; F72-W93 HydrophobicContact CB-CH2 3.32Å; F72-W93 HydrophobicContact CB-CZ2 4.42Å; F72-W93 HydrophobicContact CB-CZ3 3.51Å; F72-W93 HydrophobicContact CD1-CH2 4.15Å; F72-W93 AromaticContact CD1-CZ3 3.96Å; F72-W93 HydrophobicContact CD1-CZ3 3.96Å; F72-W93 AromaticContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CZ3 4.46Å; F72-W93 AromaticContact CG-CH2 3.51Å; F72-W93 HydrophobicContact CG-CH2 3.51Å; F72-W93 AromaticContact CG-CZ3 3.74Å; F72-W93 HydrophobicContact CG-CZ3 3.74Å; C90-W93 HydrophobicContact CB-CZ2 4.05Å; W93-T95 PolarHBondContact O-N 3.01Å
94V92.4Very high91.5Very high0 Ų033.5 Ų33.50%020%0.196CC..  trans-76.1114178.3170.90000109.3C90 L99 R119 L120C90-V94 HydrophobicContact CB-CB 4.04Å; C90-V94 HydrophobicContact CB-CG2 3.43Å; C90-V94 VanDerWaalsContact CB-CG2 3.43Å; C90-V94 PolarHBondContact O-N 2.88Å; C90-V94 VanDerWaalsContact O-N 3.17Å; V94-L99 HydrophobicContact CG1-CB 4.38Å; V94-R119 WeakPolarHBondContact O-CB 3.41Å; V94-L120 HydrophobicContact CG1-CD2 3.76Å; V94-L120 HydrophobicContact CG1-CG 4.3Å
95T95.2Very high91.4Very high35 Ų3534.2 Ų34.222%0.21520%0.198CC..  trans-115.1175.1169.374.20000109.8W93 T97 E98 L99 R119 L120W93-T95 PolarHBondContact O-N 3.01Å; T95-T97 PolarHBondContact O-N 3.3Å; T95-T97 VanDerWaalsContact O-N 3.12Å; T95-T97 VanDerWaalsContact OG1-CB 3.3Å; T95-T97 WeakPolarHBondContact OG1-CB 3.13Å; T95-T97 PolarHBondContact OG1-N 3.09Å; T95-T97 PolarHBondContact OG1-OG1 3.37Å; T95-T97 VanDerWaalsContact OG1-OG1 3.14Å; T95-E98 WeakPolarHBondContact CB-OE2 3.31Å; T95-E98 PolarHBondContact N-OE2 3.43Å; T95-E98 PolarHBondContact O-N 3.1Å; T95-E98 VanDerWaalsContact O-N 3.16Å; T95-E98 PolarHBondContact OG1-OE2 3.37Å; T95-L99 PolarHBondContact O-N 2.85Å; T95-L99 VanDerWaalsContact O-N 3.15Å; T95-R119 HydrophobicContact CG2-CB 4.01Å; T95-L120 VanDerWaalsContact C-CD2 3.42Å
96D96.8Very high91.5Very high25 Ų2534.1 Ų34.113%0.13420%0.197CC..Hα-helixtrans-53.6-31.3172.2-61.1-17.5000111.4E98 L99 L100 T121 H123 S124D96-E98 VanDerWaalsContact C-N 3.33Å; D96-E98 PolarHBondContact O-N 3Å; D96-L99 PolarHBondContact O-N 3.07Å; D96-L100 HydrophobicContact CB-CD1 4.02Å; D96-L100 HydrophobicContact CB-CG 4.17Å; D96-L100 VanDerWaalsContact O-CB 3.25Å; D96-L100 WeakPolarHBondContact O-CB 3.46Å; D96-L100 WeakPolarHBondContact O-CG 3.39Å; D96-L100 PolarHBondContact O-N 3.39Å; D96-T121 PolarHBondContact OD1-N 3.42Å; D96-T121 WeakPolarHBondContact OD2-CB 3.07Å; D96-T121 WeakPolarHBondContact OD2-CG2 3.13Å; D96-T121 PolarHBondContact OD2-OG1 3.25Å; D96-H123 IonicContact OD2-ND1 3.74Å; D96-S124 WeakPolarHBondContact OD1-CB 3.29Å; D96-S124 PolarHBondContact OD1-OG 2.86Å
97T96.1Very high91.5Very high105 Ų10539 Ų3964%0.64422%0.219SC*.Hα-helixtrans-57.1-44.5178.9-48.10000112.4T95 P101T95-T97 PolarHBondContact O-N 3.3Å; T95-T97 VanDerWaalsContact O-N 3.12Å; T95-T97 VanDerWaalsContact OG1-CB 3.3Å; T95-T97 WeakPolarHBondContact OG1-CB 3.13Å; T95-T97 PolarHBondContact OG1-N 3.09Å; T95-T97 PolarHBondContact OG1-OG1 3.37Å; T95-T97 VanDerWaalsContact OG1-OG1 3.14Å; T97-P101 VanDerWaalsContact O-CD 3.29Å; T97-P101 WeakPolarHBondContact O-CD 3.34Å
98E94.4Very high91.7Very high22 Ų2244.6 Ų44.610%0.10325%0.245CC..Hα-helixtrans-82-38.4-178.8-68.871.4-143.900111.4K69 F72 T95 D96K69-E98 HydrophobicContact CB-CG 4.17Å; F72-E98 HydrophobicContact CD1-CB 4.04Å; F72-E98 HydrophobicContact CE1-CB 4.16Å; F72-E98 WeakPolarHBondContact CE1-O 3.4Å; T95-E98 WeakPolarHBondContact CB-OE2 3.31Å; T95-E98 PolarHBondContact N-OE2 3.43Å; T95-E98 PolarHBondContact O-N 3.1Å; T95-E98 VanDerWaalsContact O-N 3.16Å; T95-E98 PolarHBondContact OG1-OE2 3.37Å; D96-E98 VanDerWaalsContact C-N 3.33Å; D96-E98 PolarHBondContact O-N 3Å
99L95.6Very high92.2Very high0 Ų043.1 Ų43.10%024%0.238CC..Hα-helixtrans-78.4-40.7-171.9-177.260.4000113.3L85 V94 T95 D96 V102 I103 M114 L120L85-L99 HydrophobicContact CD2-CD1 3.8Å; V94-L99 HydrophobicContact CG1-CB 4.38Å; T95-L99 PolarHBondContact O-N 2.85Å; T95-L99 VanDerWaalsContact O-N 3.15Å; D96-L99 PolarHBondContact O-N 3.07Å; L99-V102 WeakPolarHBondContact O-CB 3.41Å; L99-V102 PolarHBondContact O-N 2.8Å; L99-V102 VanDerWaalsContact O-N 3.1Å; L99-I103 HydrophobicContact CD1-CD1 4.23Å; L99-I103 HydrophobicContact CD1-CG1 4.1Å; L99-I103 HydrophobicContact CG-CG1 4.02Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-I103 VanDerWaalsContact O-N 3.09Å; L99-M114 HydrophobicContact CD2-CG 4.35Å; L99-M114 HydrophobicContact CD2-SD 3.45Å; L99-M114 WeakPolarHBondContact CD2-SD 3.47Å; L99-L120 HydrophobicContact CB-CD2 4.24Å; L99-L120 HydrophobicContact CD2-CD1 3.7Å; L99-L120 HydrophobicContact CD2-CD2 3.86Å; L99-L120 HydrophobicContact CD2-CG 4.45Å
100L97.2Very high93.2Very high61 Ų6141.4 Ų41.432%0.31923%0.229SC..Hα-helixtrans-59.4-41.6-172.6-70.1-179.5000114.2D96 V102 I103 G104 A127D96-L100 HydrophobicContact CB-CD1 4.02Å; D96-L100 HydrophobicContact CB-CG 4.17Å; D96-L100 VanDerWaalsContact O-CB 3.25Å; D96-L100 WeakPolarHBondContact O-CB 3.46Å; D96-L100 WeakPolarHBondContact O-CG 3.39Å; D96-L100 PolarHBondContact O-N 3.39Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 3.02Å; L100-I103 PolarHBondContact O-N 3.48Å; L100-G104 PolarHBondContact O-N 3.25Å; L100-A127 HydrophobicContact CD2-CB 3.18Å
101P96.6Very high94Very high73 Ų7346.8 Ų46.847%0.47425%0.249SC..Hα-helixtrans-57.7-41.9174.5-26.235.7000112.9T97 G104 Q105T97-P101 VanDerWaalsContact O-CD 3.29Å; T97-P101 WeakPolarHBondContact O-CD 3.34Å; P101-G104 PolarHBondContact O-N 3.39Å; P101-Q105 WeakPolarHBondContact O-CG 3.23Å; P101-Q105 PolarHBondContact O-N 3.18Å; P101-Q105 VanDerWaalsContact O-N 3.13Å; P101-Q105 PolarHBondContact O-OE1 2.68Å
102V96.5Very high95.3Very high4 Ų445.3 Ų45.32%0.02424%0.238CC..Hα-helixtrans-65.1-42.1179.81780000111.3F72 L76 L82 L85 L99 L100 Q105 N106F72-V102 HydrophobicContact CE1-CG2 3.74Å; F72-V102 HydrophobicContact CZ-CG2 3.84Å; L76-V102 HydrophobicContact CB-CG2 3.97Å; L76-V102 HydrophobicContact CD1-CB 4.45Å; L76-V102 HydrophobicContact CD1-CG1 3.66Å; L76-V102 HydrophobicContact CD1-CG2 3.89Å; L82-V102 HydrophobicContact CD2-CG1 4.45Å; L85-V102 HydrophobicContact CD2-CG1 3.94Å; L99-V102 WeakPolarHBondContact O-CB 3.41Å; L99-V102 PolarHBondContact O-N 2.8Å; L99-V102 VanDerWaalsContact O-N 3.1Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 3.02Å; V102-Q105 WeakPolarHBondContact O-CG 3.21Å; V102-N106 WeakPolarHBondContact O-CB 3.44Å; V102-N106 PolarHBondContact O-N 2.91Å; V102-N106 PolarHBondContact O-ND2 2.85Å
103I97.6Very high96.2Very high0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-65.2-46.8175.5-63.3-55.2000110.9L85 L99 L100 Q105 N106 L109 A127 V128L85-I103 HydrophobicContact CD2-CD1 3.85Å; L99-I103 HydrophobicContact CD1-CD1 4.23Å; L99-I103 HydrophobicContact CD1-CG1 4.1Å; L99-I103 HydrophobicContact CG-CG1 4.02Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-I103 VanDerWaalsContact O-N 3.09Å; L100-I103 PolarHBondContact O-N 3.48Å; I103-Q105 VanDerWaalsContact C-N 3.29Å; I103-Q105 PolarHBondContact O-N 2.67Å; I103-N106 CarbonylContact O-C 3.36Å; I103-N106 PolarHBondContact O-N 3.05Å; I103-L109 HydrophobicContact CD1-CD1 3.6Å; I103-A127 HydrophobicContact CG2-CB 4.26Å; I103-V128 HydrophobicContact CD1-CG2 3.74Å; I103-V128 HydrophobicContact CG1-CG2 4.01Å; I103-V128 HydrophobicContact CG2-CG2 4.2Å
104G96.7Very high96.6Very high36 Ų3639.3 Ų39.337%0.37121%0.209SC..Hα-helixtrans-62.3-33.1-17600000113.9L100 P101 Q107L100-G104 PolarHBondContact O-N 3.25Å; P101-G104 PolarHBondContact O-N 3.39Å; G104-Q107 PolarHBondContact O-NE2 2.89Å
105Q96.3Very high96.8Very high57 Ų5742.7 Ų42.727%0.26622%0.222SC..Hα-helixtrans-88-15178.975.5-168.14100114.1L76 R77 N79 P101 V102 I103L76-Q105 PolarHBondContact O-NE2 3.27Å; R77-Q105 PolarHBondContact O-NE2 3.07Å; N79-Q105 PolarHBondContact O-NE2 3.39Å; P101-Q105 WeakPolarHBondContact O-CG 3.23Å; P101-Q105 PolarHBondContact O-N 3.18Å; P101-Q105 VanDerWaalsContact O-N 3.13Å; P101-Q105 PolarHBondContact O-OE1 2.68Å; V102-Q105 WeakPolarHBondContact O-CG 3.21Å; I103-Q105 VanDerWaalsContact C-N 3.29Å; I103-Q105 PolarHBondContact O-N 2.67Å
106N97.4Very high96.7Very high1 Ų141.5 Ų41.51%0.00522%0.216CC..  trans-116.267.6-178.1-69.8-72.4000111.8N79 K80 V81 L82 V102 I103 H108 L109N79-N106 PolarHBondContact O-ND2 2.99Å; N79-N106 PolarHBondContact O-OD1 2.89Å; N79-N106 PolarHBondContact OD1-OD1 2.9Å; K80-N106 VanDerWaalsContact CA-OD1 3.27Å; K80-N106 WeakPolarHBondContact CA-OD1 3.44Å; V81-N106 PolarHBondContact N-OD1 2.95Å; V81-N106 VanDerWaalsContact N-OD1 3.15Å; L82-N106 HydrophobicContact CB-CB 4.03Å; L82-N106 VanDerWaalsContact CB-CG 3.47Å; L82-N106 VanDerWaalsContact CB-OD1 3.25Å; L82-N106 WeakPolarHBondContact CB-OD1 3.42Å; L82-N106 PolarHBondContact N-OD1 3.12Å; V102-N106 WeakPolarHBondContact O-CB 3.44Å; V102-N106 PolarHBondContact O-N 2.91Å; V102-N106 PolarHBondContact O-ND2 2.85Å; I103-N106 CarbonylContact O-C 3.36Å; I103-N106 PolarHBondContact O-N 3.05Å; N106-H108 PolarHBondContact O-N 3.32Å; N106-L109 HydrophobicContact CB-CD1 4.05Å; N106-L109 HydrophobicContact CB-CG 3.95Å; N106-L109 WeakPolarHBondContact O-CD1 3.29Å; N106-L109 VanDerWaalsContact O-CG 3.28Å; N106-L109 WeakPolarHBondContact O-CG 3.2Å; N106-L109 PolarHBondContact O-N 2.7Å
107Q96.3Very high96.5Very high115 Ų11540.3 Ų40.354%0.53721%0.21SC..THydrogen-bonded Turntrans-69.7-5.5-178.2-61.9174.212.200113.8G104 S131G104-Q107 PolarHBondContact O-NE2 2.89Å; Q107-S131 WeakPolarHBondContact CA-O 3.42Å; Q107-S131 WeakPolarHBondContact CB-O 3.5Å
108H95.7Very high96.3Very high117 Ų11740.3 Ų40.354%0.54221%0.206SC..THydrogen-bonded Turntrans-98.710.2179.8-53.1-58.1000113.3N106 L110N106-H108 PolarHBondContact O-N 3.32Å; H108-L110 PolarHBondContact O-N 3.47Å
109L98.4Very high96.3Very high0 Ų046.2 Ų46.20%023%0.227CC..  trans-57.6126.5176.7-76.7166.6000110.9L82 L85 I103 N106 V112 C132L82-L109 HydrophobicContact CB-CD2 4.09Å; L82-L109 HydrophobicContact CD2-CD2 4.07Å; L82-L109 HydrophobicContact CG-CD2 3.94Å; L85-L109 HydrophobicContact CB-CD2 3.85Å; I103-L109 HydrophobicContact CD1-CD1 3.6Å; N106-L109 HydrophobicContact CB-CD1 4.05Å; N106-L109 HydrophobicContact CB-CG 3.95Å; N106-L109 WeakPolarHBondContact O-CD1 3.29Å; N106-L109 VanDerWaalsContact O-CG 3.28Å; N106-L109 WeakPolarHBondContact O-CG 3.2Å; N106-L109 PolarHBondContact O-N 2.7Å; L109-V112 HydrophobicContact CB-CG2 4.19Å; L109-V112 HydrophobicContact CD1-CG2 4.06Å; L109-C132 HydrophobicContact CB-CB 4.17Å
110L98.6Very high96.3Very high47 Ų4746.4 Ų46.425%0.24623%0.228CC..  trans-103.1-28.2176.8-61.1-179.6000111.4Q83 H108 H134 Q136 Y137Q83-L110 PolarHBondContact O-N 3.05Å; H108-L110 PolarHBondContact O-N 3.47Å; L110-H134 HydrophobicContact CD2-CB 4.17Å; L110-H134 WeakPolarHBondContact CD2-O 3.39Å; L110-Q136 HydrophobicContact CD2-CG 4.49Å; L110-Q136 WeakPolarHBondContact O-CA 3.43Å; L110-Q136 PolarHBondContact O-N 2.94Å; L110-Y137 PolarHBondContact O-N 2.68Å
111R98.8Very high96.3Very high113 Ų11345.8 Ų45.843%0.42623%0.227SC..EExtended strand (participates in β ladder)trans-135.8126.9-179.2-50.1-176.566.790.4-4.3110.1Q83 N84 L85 Y137Q83-R111 PolarHBondContact O-N 2.93Å; N84-R111 WeakPolarHBondContact CA-O 3.47Å; N84-R111 HydrophobicContact CB-CB 4.31Å; N84-R111 WeakPolarHBondContact OD1-CB 3.46Å; N84-R111 WeakPolarHBondContact OD1-CD 3.33Å; N84-R111 WeakPolarHBondContact OD1-CG 3.43Å; L85-R111 PolarHBondContact N-O 2.94Å; R111-Y137 WeakPolarHBondContact CA-O 3.41Å; R111-Y137 HydrophobicContact CB-CD1 4.17Å; R111-Y137 HydrophobicContact CB-CG 4.47Å; R111-Y137 VanDerWaalsContact CZ-CG 3.49Å; R111-Y137 VanDerWaalsContact NH2-CG 3.33Å
112V98.5Very high96.4Very high1 Ų147 Ų471%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-128.2127.4173.3176.50000108.6L85 L109 M114 V128 L135 Y137 L138 G139L85-V112 CarbonylContact O-C 3.59Å; L85-V112 VanDerWaalsContact O-CA 3.28Å; L85-V112 WeakPolarHBondContact O-CA 3.43Å; L109-V112 HydrophobicContact CB-CG2 4.19Å; L109-V112 HydrophobicContact CD1-CG2 4.06Å; V112-M114 HydrophobicContact CG1-CE 3.94Å; V112-M114 HydrophobicContact CG1-CG 3.84Å; V112-M114 HydrophobicContact CG1-SD 4.07Å; V112-V128 HydrophobicContact CG1-CG2 4.29Å; V112-V128 HydrophobicContact CG2-CG1 4.35Å; V112-L135 HydrophobicContact CB-CD1 4.2Å; V112-L135 HydrophobicContact CG2-CD1 3.78Å; V112-Y137 PolarHBondContact N-O 2.95Å; V112-L138 HydrophobicContact CB-CD1 4.1Å; V112-L138 HydrophobicContact CG1-CD1 4.25Å; V112-L138 CarbonylContact O-C 3.58Å; V112-L138 VanDerWaalsContact O-CA 3.28Å; V112-L138 WeakPolarHBondContact O-CA 3.35Å; V112-G139 PolarHBondContact O-N 3.19Å
113D97.6Very high96.4Very high14 Ų1452.5 Ų52.58%0.07525%0.247CC..EExtended strand (participates in β ladder)trans-122.6120171.9-161.6-33.4000109.6L85 S86 V87 R115 Y137L85-D113 PolarHBondContact O-N 2.99Å; S86-D113 WeakPolarHBondContact CA-O 3.28Å; V87-D113 PolarHBondContact N-O 3.1Å; D113-R115 WeakPolarHBondContact OD1-CB 3.28Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R115 IonicContact OD2-NH2 2.91Å; D113-R115 PolarHBondContact OD2-NH2 2.94Å; D113-Y137 HydrophobicContact CB-CE1 4.28Å
114M96.5Very high96.5Very high0 Ų052.5 Ų52.50%025%0.247CC..  trans-125.822.5-179.4-62.2179.7-70.200111.2V87 L99 V112 G116 C117 L120 V128 L138 G139 L140 C143 W145V87-M114 HydrophobicContact CG2-CB 4.36Å; V87-M114 HydrophobicContact CG2-CG 3.83Å; L99-M114 HydrophobicContact CD2-CG 4.35Å; L99-M114 HydrophobicContact CD2-SD 3.45Å; L99-M114 WeakPolarHBondContact CD2-SD 3.47Å; V112-M114 HydrophobicContact CG1-CE 3.94Å; V112-M114 HydrophobicContact CG1-CG 3.84Å; V112-M114 HydrophobicContact CG1-SD 4.07Å; M114-G116 PolarHBondContact O-N 2.77Å; M114-C117 VanDerWaalsContact O-CB 3.25Å; M114-C117 WeakPolarHBondContact O-CB 3.47Å; M114-C117 PolarHBondContact O-N 3Å; M114-C117 PolarHBondContact O-SG 3.29Å; M114-L120 HydrophobicContact CB-CD1 3.99Å; M114-L120 HydrophobicContact CG-CD1 4.06Å; M114-L120 HydrophobicContact SD-CD1 3.69Å; M114-V128 HydrophobicContact CE-CG2 4.25Å; M114-L138 HydrophobicContact CE-CD1 4.11Å; M114-G139 PolarHBondContact N-O 2.99Å; M114-L140 HydrophobicContact CE-CD2 3.69Å; M114-C143 PolarHBondContact O-SG 3.45Å; M114-W145 HydrophobicContact CE-CH2 4.05Å
115R95.3Very high96.6Very high71 Ų7150.8 Ų50.827%0.26823%0.23SC..THydrogen-bonded Turntrans-50.9134.2179.2172.7-173-32.6-141.3-3.3111.9Q88 N89 D113 C117 A141 D165Q88-R115 CarbonylContact C-O 3.59Å; Q88-R115 VanDerWaalsContact CA-O 3.3Å; Q88-R115 WeakPolarHBondContact CA-O 3.32Å; Q88-R115 HydrophobicContact CB-CB 4.05Å; N89-R115 PolarHBondContact N-O 3.32Å; D113-R115 WeakPolarHBondContact OD1-CB 3.28Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R115 IonicContact OD2-NH2 2.91Å; D113-R115 PolarHBondContact OD2-NH2 2.94Å; R115-C117 PolarHBondContact O-N 3.27Å; R115-A141 CarbonylContact C-O 3.51Å; R115-A141 VanDerWaalsContact CA-O 3.28Å; R115-A141 WeakPolarHBondContact CA-O 3.42Å; R115-A141 HydrophobicContact CB-CB 4.47Å; R115-A141 HydrophobicContact CG-CB 3.89Å; R115-A141 WeakPolarHBondContact CG-O 3.47Å; R115-D165 IonicContact NH2-OD2 3.47Å
116G93.3Very high96.7Very high9 Ų950.3 Ų50.39%0.09323%0.23CC..THydrogen-bonded Turntrans64.218.9176.400000114.5S91 M114 D118 A141S91-G116 WeakPolarHBondContact CB-O 3.31Å; M114-G116 PolarHBondContact O-N 2.77Å; G116-D118 PolarHBondContact O-N 3.43Å; G116-A141 PolarHBondContact N-O 3.4Å
117C93.2Very high96.7Very high0 Ų051.1 Ų51.10%024%0.238CC..  trans-85.783175.9-67.70000111.2V87 M114 R115 R119 L120 W145V87-C117 PolarHBondContact O-SG 2.87Å; M114-C117 VanDerWaalsContact O-CB 3.25Å; M114-C117 WeakPolarHBondContact O-CB 3.47Å; M114-C117 PolarHBondContact O-N 3Å; M114-C117 PolarHBondContact O-SG 3.29Å; R115-C117 PolarHBondContact O-N 3.27Å; C117-R119 VanDerWaalsContact C-N 3.28Å; C117-R119 PolarHBondContact O-N 2.95Å; C117-L120 HydrophobicContact CB-CB 4.4Å; C117-L120 HydrophobicContact CB-CD1 3.5Å; C117-L120 HydrophobicContact CB-CG 3.76Å; C117-L120 PolarHBondContact O-N 3.23Å; C117-W145 PolarHBondContact O-NE1 3.27Å
118D91.9Very high96.8Very high106 Ų10645.7 Ų45.757%0.56721%0.212SC*.THydrogen-bonded Turntrans-70.6-19.2-171-56.7-30.5000114.9G116G116-D118 PolarHBondContact O-N 3.43Å
119R94Very high97Very high145 Ų14540.1 Ų40.155%0.54719%0.186SC..THydrogen-bonded Turntrans-94-1.6179.8-70.5-173.6-172.1-144.85.2114.6S91 D92 V94 T95 C117S91-R119 VanDerWaalsContact O-CD 3.31Å; S91-R119 WeakPolarHBondContact O-CD 3.38Å; S91-R119 VanDerWaalsContact O-CG 3.3Å; S91-R119 WeakPolarHBondContact O-CG 3.35Å; S91-R119 PolarHBondContact O-NE 3.46Å; D92-R119 PolarHBondContact O-NE 3.49Å; D92-R119 PolarHBondContact O-NH1 2.92Å; D92-R119 PolarHBondContact O-NH2 3.46Å; V94-R119 WeakPolarHBondContact O-CB 3.41Å; T95-R119 HydrophobicContact CG2-CB 4.01Å; C117-R119 VanDerWaalsContact C-N 3.28Å; C117-R119 PolarHBondContact O-N 2.95Å
120L96.3Very high96.9Very high4 Ų444.6 Ų44.62%0.02121%0.21CC..  trans-77163.9168.4-66.7-177.4000110.1V94 T95 L99 M114 C117 S124 W145V94-L120 HydrophobicContact CG1-CD2 3.76Å; V94-L120 HydrophobicContact CG1-CG 4.3Å; T95-L120 VanDerWaalsContact C-CD2 3.42Å; L99-L120 HydrophobicContact CB-CD2 4.24Å; L99-L120 HydrophobicContact CD2-CD1 3.7Å; L99-L120 HydrophobicContact CD2-CD2 3.86Å; L99-L120 HydrophobicContact CD2-CG 4.45Å; M114-L120 HydrophobicContact CB-CD1 3.99Å; M114-L120 HydrophobicContact CG-CD1 4.06Å; M114-L120 HydrophobicContact SD-CD1 3.69Å; C117-L120 HydrophobicContact CB-CB 4.4Å; C117-L120 HydrophobicContact CB-CD1 3.5Å; C117-L120 HydrophobicContact CB-CG 3.76Å; C117-L120 PolarHBondContact O-N 3.23Å; L120-S124 WeakPolarHBondContact CD2-OG 3.33Å; L120-W145 HydrophobicContact CB-CD2 4.33Å; L120-W145 HydrophobicContact CB-CH2 4.48Å; L120-W145 HydrophobicContact CB-CZ2 3.73Å; L120-W145 HydrophobicContact CD1-CZ2 3.96Å; L120-W145 HydrophobicContact CG-CZ2 4.5Å; L120-W145 VanDerWaalsContact O-CG 3.28Å
121T97.4Very high96.9Very high49 Ų4943.9 Ų43.930%0.30121%0.209SC..  trans-127.9176.2171.583.50000111D96 H123 S124 W145D96-T121 PolarHBondContact OD1-N 3.42Å; D96-T121 WeakPolarHBondContact OD2-CB 3.07Å; D96-T121 WeakPolarHBondContact OD2-CG2 3.13Å; D96-T121 PolarHBondContact OD2-OG1 3.25Å; T121-H123 PolarHBondContact O-N 3.22Å; T121-H123 PolarHBondContact OG1-N 2.65Å; T121-H123 PolarHBondContact OG1-ND1 3.04Å; T121-S124 WeakPolarHBondContact O-CB 3.08Å; T121-S124 PolarHBondContact O-N 2.9Å; T121-W145 VanDerWaalsContact C-CE3 3.44Å
122R97.6Very high96.9Very high99 Ų9938.5 Ų38.537%0.37419%0.188SC..Hα-helixtrans-50.2-26.5171.869.5-179.662.1166.1-5113.9S124 L125 V126 D147R122-S124 PolarHBondContact O-N 3.4Å; R122-L125 PolarHBondContact O-N 2.97Å; R122-V126 WeakPolarHBondContact O-CG2 3.33Å; R122-V126 PolarHBondContact O-N 2.86Å; R122-D147 IonicContact CZ-OD2 2.88Å; R122-D147 IonicContact NE-OD2 3.55Å; R122-D147 PolarHBondContact NE-OD2 2.85Å; R122-D147 IonicContact NH1-OD2 2.71Å; R122-D147 PolarHBondContact NH1-OD2 2.83Å; R122-D147 IonicContact NH2-OD2 3.97Å; R122-D147 PolarHBondContact NH2-OD2 3.24Å
123H98.2Very high96.8Very high118 Ų11841.3 Ų41.355%0.54621%0.206SC..Hα-helixtrans-60.6-35.3178-61.592.5000111.6D96 T121 V126 A127D96-H123 IonicContact OD2-ND1 3.74Å; T121-H123 PolarHBondContact O-N 3.22Å; T121-H123 PolarHBondContact OG1-N 2.65Å; T121-H123 PolarHBondContact OG1-ND1 3.04Å; H123-V126 PolarHBondContact O-N 3.33Å; H123-A127 WeakPolarHBondContact O-CB 3.32Å; H123-A127 PolarHBondContact O-N 3.4Å
124S97.9Very high96.8Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-63-46.8175-78.60000112.3D96 L120 T121 R122 A127 V128D96-S124 WeakPolarHBondContact OD1-CB 3.29Å; D96-S124 PolarHBondContact OD1-OG 2.86Å; L120-S124 WeakPolarHBondContact CD2-OG 3.33Å; T121-S124 WeakPolarHBondContact O-CB 3.08Å; T121-S124 PolarHBondContact O-N 2.9Å; R122-S124 PolarHBondContact O-N 3.4Å; S124-A127 PolarHBondContact O-N 3.36Å; S124-V128 WeakPolarHBondContact O-CG2 3.15Å; S124-V128 PolarHBondContact O-N 3.14Å
125L98.6Very high96.9Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-68.3-36.8176.6177.656.2000112.4R122 V128 S129 L138 L140 W145 V146 I151 L154R122-L125 PolarHBondContact O-N 2.97Å; L125-V128 PolarHBondContact O-N 3.2Å; L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-S129 PolarHBondContact O-N 3.12Å; L125-S129 PolarHBondContact O-OG 3.14Å; L125-L138 HydrophobicContact CD1-CD2 3.64Å; L125-L140 HydrophobicContact CD1-CD1 4.25Å; L125-L140 HydrophobicContact CD2-CD1 3.81Å; L125-W145 HydrophobicContact CB-CH2 4.35Å; L125-W145 HydrophobicContact CB-CZ3 3.73Å; L125-V146 HydrophobicContact CD2-CG1 4.14Å; L125-V146 HydrophobicContact CD2-CG2 4.31Å; L125-I151 HydrophobicContact CD2-CD1 4.34Å; L125-L154 HydrophobicContact CD1-CB 4.48Å; L125-L154 HydrophobicContact CD1-CD1 4.23Å; L125-L154 HydrophobicContact CD1-CD2 4.47Å
126V98.6Very high97.1Very high47 Ų4746.8 Ų46.829%0.28523%0.234SC..Hα-helixtrans-62.4-43.4173.2171.50000110.9R122 H123 S129 L130R122-V126 WeakPolarHBondContact O-CG2 3.33Å; R122-V126 PolarHBondContact O-N 2.86Å; H123-V126 PolarHBondContact O-N 3.33Å; V126-S129 WeakPolarHBondContact O-CB 3.41Å; V126-S129 PolarHBondContact O-N 2.96Å; V126-L130 HydrophobicContact CG1-CD1 3.86Å; V126-L130 HydrophobicContact CG1-CG 4.31Å; V126-L130 WeakPolarHBondContact O-CG 3.33Å; V126-L130 PolarHBondContact O-N 3.04Å
127A98.4Very high97.3Very high19 Ų1948 Ų4816%0.15724%0.235CC..Hα-helixtrans-64.8-41.3177.500000112.5L100 I103 H123 S124 S129 L130 S131L100-A127 HydrophobicContact CD2-CB 3.18Å; I103-A127 HydrophobicContact CG2-CB 4.26Å; H123-A127 WeakPolarHBondContact O-CB 3.32Å; H123-A127 PolarHBondContact O-N 3.4Å; S124-A127 PolarHBondContact O-N 3.36Å; A127-S129 VanDerWaalsContact C-N 3.31Å; A127-S129 PolarHBondContact O-N 3.16Å; A127-L130 PolarHBondContact O-N 2.59Å; A127-S131 WeakPolarHBondContact O-CB 3.12Å; A127-S131 PolarHBondContact O-N 3.26Å; A127-S131 PolarHBondContact O-OG 3.3Å
128V98.6Very high97.6Very high0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-58.6-46.7172.4169.10000110.1I103 V112 M114 S124 L125 L130 S131 C132 L135I103-V128 HydrophobicContact CD1-CG2 3.74Å; I103-V128 HydrophobicContact CG1-CG2 4.01Å; I103-V128 HydrophobicContact CG2-CG2 4.2Å; V112-V128 HydrophobicContact CG1-CG2 4.29Å; V112-V128 HydrophobicContact CG2-CG1 4.35Å; M114-V128 HydrophobicContact CE-CG2 4.25Å; S124-V128 WeakPolarHBondContact O-CG2 3.15Å; S124-V128 PolarHBondContact O-N 3.14Å; L125-V128 PolarHBondContact O-N 3.2Å; V128-L130 PolarHBondContact O-N 3Å; V128-S131 PolarHBondContact O-N 2.96Å; V128-C132 HydrophobicContact CG1-CB 4.42Å; V128-C132 WeakPolarHBondContact O-CA 3.25Å; V128-C132 WeakPolarHBondContact O-CB 3.3Å; V128-C132 PolarHBondContact O-N 3.28Å; V128-L135 HydrophobicContact CG1-CD1 4.49Å; V128-L135 HydrophobicContact CG1-CD2 3.74Å
129S98.5Very high97.9Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-59.3-47.7-179.9-53.20000112L125 V126 A127 L154 H157L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-S129 PolarHBondContact O-N 3.12Å; L125-S129 PolarHBondContact O-OG 3.14Å; V126-S129 WeakPolarHBondContact O-CB 3.41Å; V126-S129 PolarHBondContact O-N 2.96Å; A127-S129 VanDerWaalsContact C-N 3.31Å; A127-S129 PolarHBondContact O-N 3.16Å; S129-L154 WeakPolarHBondContact OG-CA 3.34Å; S129-L154 PolarHBondContact OG-N 3.49Å; S129-H157 WeakPolarHBondContact O-CB 3.28Å
130L98.3Very high98.1Very high94 Ų9436 Ų3649%0.49218%0.182SC..Hα-helixtrans-74.2-33.2-177.1-65.5176.3000113.2V126 A127 V128 H157V126-L130 HydrophobicContact CG1-CD1 3.86Å; V126-L130 HydrophobicContact CG1-CG 4.31Å; V126-L130 WeakPolarHBondContact O-CG 3.33Å; V126-L130 PolarHBondContact O-N 3.04Å; A127-L130 PolarHBondContact O-N 2.59Å; V128-L130 PolarHBondContact O-N 3Å; L130-H157 WeakPolarHBondContact CD2-NE2 3.49Å
131S97.9Very high98.2Very high32 Ų3235.9 Ų35.922%0.22418%0.182CC..Hα-helixtrans-92.3-33.3-173.9-48.30000112.8Q107 A127 V128Q107-S131 WeakPolarHBondContact CA-O 3.42Å; Q107-S131 WeakPolarHBondContact CB-O 3.5Å; A127-S131 WeakPolarHBondContact O-CB 3.12Å; A127-S131 PolarHBondContact O-N 3.26Å; A127-S131 PolarHBondContact O-OG 3.3Å; V128-S131 PolarHBondContact O-N 2.96Å
132C97.7Very high98.2Very high0 Ų038.7 Ų38.70%019%0.192CC..  trans-112.161.2-168.5-46.40000110.7L109 V128 H134 L135 C158L109-C132 HydrophobicContact CB-CB 4.17Å; V128-C132 HydrophobicContact CG1-CB 4.42Å; V128-C132 WeakPolarHBondContact O-CA 3.25Å; V128-C132 WeakPolarHBondContact O-CB 3.3Å; V128-C132 PolarHBondContact O-N 3.28Å; C132-H134 PolarHBondContact O-N 2.73Å; C132-L135 HydrophobicContact CB-CB 4.42Å; C132-L135 HydrophobicContact CB-CD1 4.5Å; C132-L135 VanDerWaalsContact O-CB 3.23Å; C132-L135 WeakPolarHBondContact O-CB 3.33Å; C132-L135 PolarHBondContact O-N 3.01Å; C132-C158 PolarHBondContact O-SG 3.07Å; C132-C158 VanDerWaalsContact O-SG 3.42Å
133T97.6Very high98.1Very high61 Ų6134 Ų3437%0.37417%0.174SC..THydrogen-bonded Turntrans-66.3-14-172.859.20000114.2
134H97.7Very high97.9Very high124 Ų12433.9 Ų33.957%0.57417%0.174SC*.THydrogen-bonded Turntrans-97.112.1174.3-62.5-52.8000114.2L110 C132 Q136L110-H134 HydrophobicContact CD2-CB 4.17Å; L110-H134 WeakPolarHBondContact CD2-O 3.39Å; C132-H134 PolarHBondContact O-N 2.73Å; H134-Q136 WeakPolarHBondContact O-CG 3.48Å; H134-Q136 PolarHBondContact O-N 3.03Å
135L98.6Very high97.8Very high0 Ų035 Ų350%018%0.178CC..  trans-54.4132.1179.5-166.373.6000111.6V112 V128 C132 L138 L154 C158 G160 L161V112-L135 HydrophobicContact CB-CD1 4.2Å; V112-L135 HydrophobicContact CG2-CD1 3.78Å; V128-L135 HydrophobicContact CG1-CD1 4.49Å; V128-L135 HydrophobicContact CG1-CD2 3.74Å; C132-L135 HydrophobicContact CB-CB 4.42Å; C132-L135 HydrophobicContact CB-CD1 4.5Å; C132-L135 VanDerWaalsContact O-CB 3.23Å; C132-L135 WeakPolarHBondContact O-CB 3.33Å; C132-L135 PolarHBondContact O-N 3.01Å; L135-L138 HydrophobicContact CD2-CB 4.02Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 HydrophobicContact CD2-CD2 4.17Å; L135-L138 HydrophobicContact CD2-CG 4.4Å; L135-L154 HydrophobicContact CD2-CD1 4.07Å; L135-C158 HydrophobicContact CB-CB 4.37Å; L135-G160 CarbonylContact O-C 3.59Å; L135-L161 HydrophobicContact CD2-CD1 4.15Å; L135-L161 HydrophobicContact CG-CD1 4.19Å; L135-L161 WeakPolarHBondContact O-CA 3.26Å; L135-L161 PolarHBondContact O-N 3.28Å
136Q98.7Very high97.8Very high75 Ų7535 Ų3535%0.3518%0.178SC..  trans-115.9-30.7-179.1-57.1-171.72300112.6L110 H134 R162 S163L110-Q136 HydrophobicContact CD2-CG 4.49Å; L110-Q136 WeakPolarHBondContact O-CA 3.43Å; L110-Q136 PolarHBondContact O-N 2.94Å; H134-Q136 WeakPolarHBondContact O-CG 3.48Å; H134-Q136 PolarHBondContact O-N 3.03Å; Q136-R162 HydrophobicContact CB-CG 4.34Å; Q136-R162 CarbonylContact O-C 3.31Å; Q136-R162 WeakPolarHBondContact O-CA 3.47Å; Q136-R162 WeakPolarHBondContact O-CB 3.34Å; Q136-R162 PolarHBondContact O-N 3Å; Q136-S163 PolarHBondContact O-N 3.38Å
137Y98.8Very high97.8Very high34 Ų3433.4 Ų33.413%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-128.7135.5178.7176.7-87.3000110.8L110 R111 V112 D113 S163L110-Y137 PolarHBondContact O-N 2.68Å; R111-Y137 WeakPolarHBondContact CA-O 3.41Å; R111-Y137 HydrophobicContact CB-CD1 4.17Å; R111-Y137 HydrophobicContact CB-CG 4.47Å; R111-Y137 VanDerWaalsContact CZ-CG 3.49Å; R111-Y137 VanDerWaalsContact NH2-CG 3.33Å; V112-Y137 PolarHBondContact N-O 2.95Å; D113-Y137 HydrophobicContact CB-CE1 4.28Å; Y137-S163 CarbonylContact C-O 3.25Å; Y137-S163 WeakPolarHBondContact CA-O 3.45Å; Y137-S163 WeakPolarHBondContact CD2-OG 3.15Å
138L98.7Very high97.7Very high0 Ų033.9 Ų33.90%017%0.17CC..EExtended strand (participates in β ladder)trans-139.3115.5175.2-177.158.5000111.8V112 M114 L125 L135 L140 L154 L161 S163 I164 D165V112-L138 HydrophobicContact CB-CD1 4.1Å; V112-L138 HydrophobicContact CG1-CD1 4.25Å; V112-L138 CarbonylContact O-C 3.58Å; V112-L138 VanDerWaalsContact O-CA 3.28Å; V112-L138 WeakPolarHBondContact O-CA 3.35Å; M114-L138 HydrophobicContact CE-CD1 4.11Å; L125-L138 HydrophobicContact CD1-CD2 3.64Å; L135-L138 HydrophobicContact CD2-CB 4.02Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 HydrophobicContact CD2-CD2 4.17Å; L135-L138 HydrophobicContact CD2-CG 4.4Å; L138-L140 HydrophobicContact CD1-CD1 4.44Å; L138-L140 HydrophobicContact CD1-CD2 4.23Å; L138-L140 HydrophobicContact CD1-CG 4.1Å; L138-L140 HydrophobicContact CD2-CD1 3.65Å; L138-L140 HydrophobicContact CD2-CG 4.2Å; L138-L140 HydrophobicContact CG-CD1 3.84Å; L138-L140 HydrophobicContact CG-CD2 4.47Å; L138-L140 HydrophobicContact CG-CG 3.83Å; L138-L154 HydrophobicContact CD2-CD1 3.73Å; L138-L154 HydrophobicContact CD2-CD2 3.47Å; L138-L154 VanDerWaalsContact CD2-CD2 3.47Å; L138-L154 HydrophobicContact CD2-CG 4.25Å; L138-L161 HydrophobicContact CB-CD1 4.12Å; L138-S163 PolarHBondContact N-O 2.94Å; L138-I164 HydrophobicContact CB-CG1 4.22Å; L138-I164 HydrophobicContact CD2-CD1 4.27Å; L138-I164 HydrophobicContact CD2-CG1 4.47Å; L138-I164 HydrophobicContact CG-CG1 4.49Å; L138-I164 VanDerWaalsContact O-CA 3.31Å; L138-I164 WeakPolarHBondContact O-CA 3.45Å; L138-D165 PolarHBondContact O-N 2.88Å
139G98.5Very high97.6Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-97.5116.2173.600000111.4V112 M114V112-G139 PolarHBondContact O-N 3.19Å; M114-G139 PolarHBondContact N-O 2.99Å
140L98.3Very high97.6Very high0 Ų039.3 Ų39.30%020%0.198CC..  trans-130.916.5-179-67.6169.6000112.4M114 L125 L138 H142 C143 W145 V146 D165 L166 C169M114-L140 HydrophobicContact CE-CD2 3.69Å; L125-L140 HydrophobicContact CD1-CD1 4.25Å; L125-L140 HydrophobicContact CD2-CD1 3.81Å; L138-L140 HydrophobicContact CD1-CD1 4.44Å; L138-L140 HydrophobicContact CD1-CD2 4.23Å; L138-L140 HydrophobicContact CD1-CG 4.1Å; L138-L140 HydrophobicContact CD2-CD1 3.65Å; L138-L140 HydrophobicContact CD2-CG 4.2Å; L138-L140 HydrophobicContact CG-CD1 3.84Å; L138-L140 HydrophobicContact CG-CD2 4.47Å; L138-L140 HydrophobicContact CG-CG 3.83Å; L140-H142 PolarHBondContact O-N 2.89Å; L140-C143 HydrophobicContact CB-CB 4.47Å; L140-C143 WeakPolarHBondContact O-CB 3.44Å; L140-C143 PolarHBondContact O-N 2.96Å; L140-C143 VanDerWaalsContact O-N 3.07Å; L140-C143 PolarHBondContact O-SG 3.1Å; L140-W145 HydrophobicContact CD2-CH2 3.64Å; L140-W145 HydrophobicContact CD2-CZ2 4.29Å; L140-W145 HydrophobicContact CD2-CZ3 4.35Å; L140-V146 HydrophobicContact CB-CG2 4.21Å; L140-V146 HydrophobicContact CD1-CG1 4.31Å; L140-V146 HydrophobicContact CD1-CG2 4.06Å; L140-V146 HydrophobicContact CD2-CG2 3.99Å; L140-V146 HydrophobicContact CG-CG2 4.32Å; L140-D165 CarbonylContact C-O 3.56Å; L140-D165 WeakPolarHBondContact CA-O 3.45Å; L140-D165 WeakPolarHBondContact CB-O 3.36Å; L140-D165 PolarHBondContact N-O 2.89Å; L140-L166 HydrophobicContact CB-CD2 4.18Å; L140-L166 HydrophobicContact CD1-CD2 3.78Å; L140-C169 PolarHBondContact O-SG 3.19Å
141A98Very high97.6Very high2 Ų234.8 Ų34.82%0.01718%0.175CC..THydrogen-bonded Turntrans-56.4136.5-179.200000111R115 G116 C143 D165 T167R115-A141 CarbonylContact C-O 3.51Å; R115-A141 VanDerWaalsContact CA-O 3.28Å; R115-A141 WeakPolarHBondContact CA-O 3.42Å; R115-A141 HydrophobicContact CB-CB 4.47Å; R115-A141 HydrophobicContact CG-CB 3.89Å; R115-A141 WeakPolarHBondContact CG-O 3.47Å; G116-A141 PolarHBondContact N-O 3.4Å; A141-C143 PolarHBondContact O-N 3.13Å; A141-D165 PolarHBondContact N-O 3.38Å; A141-T167 CarbonylContact C-O 3.55Å; A141-T167 VanDerWaalsContact CA-O 3.27Å; A141-T167 WeakPolarHBondContact CA-O 3.27Å
142H96.6Very high97.6Very high108 Ų10836.7 Ų36.750%0.518%0.177SC..THydrogen-bonded Turntrans61.919-177.1-54.8-85.7000115.2L140 E144 T167L140-H142 PolarHBondContact O-N 2.89Å; H142-E144 PolarHBondContact O-N 3.17Å; H142-T167 PolarHBondContact N-O 3.29Å
143C96.5Very high97.7Very high0 Ų037.6 Ų37.60%018%0.183CC..  trans-89.494.1173.8-62.80000111.2M114 L140 A141 W145 V146M114-C143 PolarHBondContact O-SG 3.45Å; L140-C143 HydrophobicContact CB-CB 4.47Å; L140-C143 WeakPolarHBondContact O-CB 3.44Å; L140-C143 PolarHBondContact O-N 2.96Å; L140-C143 VanDerWaalsContact O-N 3.07Å; L140-C143 PolarHBondContact O-SG 3.1Å; A141-C143 PolarHBondContact O-N 3.13Å; C143-W145 HydrophobicContact CB-CD2 4.15Å; C143-W145 HydrophobicContact CB-CH2 4.37Å; C143-W145 HydrophobicContact CB-CZ2 3.7Å; C143-W145 PolarHBondContact O-N 3.23Å; C143-W145 VanDerWaalsContact SG-CZ2 3.6Å; C143-V146 HydrophobicContact CB-CG2 3.57Å; C143-V146 WeakPolarHBondContact O-CB 3.25Å; C143-V146 PolarHBondContact O-N 3.18Å
144E94.6Very high97.7Very high115 Ų11534.7 Ų34.754%0.53717%0.166SC..THydrogen-bonded Turntrans-66.5-19-179-64-159.2155.200114.1H142 V146 R170 Q171H142-E144 PolarHBondContact O-N 3.17Å; E144-V146 VanDerWaalsContact C-N 3.25Å; E144-V146 PolarHBondContact O-N 3.23Å; E144-R170 VanDerWaalsContact OE1-CD 3.27Å; E144-R170 WeakPolarHBondContact OE1-CD 3.37Å; E144-Q171 WeakPolarHBondContact O-CG 3.31Å; E144-Q171 PolarHBondContact O-NE2 3.07Å
145W95.9Very high97.8Very high25 Ų2528.9 Ų28.910%0.09514%0.139CC..THydrogen-bonded Turntrans-78.5-6.3177.451.2-100.9000113.7M114 C117 L120 T121 L125 L140 C143M114-W145 HydrophobicContact CE-CH2 4.05Å; C117-W145 PolarHBondContact O-NE1 3.27Å; L120-W145 HydrophobicContact CB-CD2 4.33Å; L120-W145 HydrophobicContact CB-CH2 4.48Å; L120-W145 HydrophobicContact CB-CZ2 3.73Å; L120-W145 HydrophobicContact CD1-CZ2 3.96Å; L120-W145 HydrophobicContact CG-CZ2 4.5Å; L120-W145 VanDerWaalsContact O-CG 3.28Å; T121-W145 VanDerWaalsContact C-CE3 3.44Å; L125-W145 HydrophobicContact CB-CH2 4.35Å; L125-W145 HydrophobicContact CB-CZ3 3.73Å; L140-W145 HydrophobicContact CD2-CH2 3.64Å; L140-W145 HydrophobicContact CD2-CZ2 4.29Å; L140-W145 HydrophobicContact CD2-CZ3 4.35Å; C143-W145 HydrophobicContact CB-CD2 4.15Å; C143-W145 HydrophobicContact CB-CH2 4.37Å; C143-W145 HydrophobicContact CB-CZ2 3.7Å; C143-W145 PolarHBondContact O-N 3.23Å; C143-W145 VanDerWaalsContact SG-CZ2 3.6Å
146V98.2Very high97.8Very high0 Ų032.6 Ų32.60%016%0.159CC..  trans-78.8122.1175.4177.20000109.8L125 L140 C143 E144 I151 L166 C169 L172L125-V146 HydrophobicContact CD2-CG1 4.14Å; L125-V146 HydrophobicContact CD2-CG2 4.31Å; L140-V146 HydrophobicContact CB-CG2 4.21Å; L140-V146 HydrophobicContact CD1-CG1 4.31Å; L140-V146 HydrophobicContact CD1-CG2 4.06Å; L140-V146 HydrophobicContact CD2-CG2 3.99Å; L140-V146 HydrophobicContact CG-CG2 4.32Å; C143-V146 HydrophobicContact CB-CG2 3.57Å; C143-V146 WeakPolarHBondContact O-CB 3.25Å; C143-V146 PolarHBondContact O-N 3.18Å; E144-V146 VanDerWaalsContact C-N 3.25Å; E144-V146 PolarHBondContact O-N 3.23Å; V146-I151 HydrophobicContact CG1-CD1 3.78Å; V146-I151 HydrophobicContact CG1-CG1 3.98Å; V146-L166 HydrophobicContact CG1-CD2 4.31Å; V146-C169 HydrophobicContact CB-CB 4.38Å; V146-L172 HydrophobicContact CG1-CD1 4.44Å; V146-L172 HydrophobicContact CG1-CD2 4.24Å
147D97.3Very high97.8Very high13 Ų1332.8 Ų32.87%0.0716%0.16CC..  trans-133.6174.7-174.474.9-12.4000112.4R122 L149 S150 I151 Q171R122-D147 IonicContact CZ-OD2 2.88Å; R122-D147 IonicContact NE-OD2 3.55Å; R122-D147 PolarHBondContact NE-OD2 2.85Å; R122-D147 IonicContact NH1-OD2 2.71Å; R122-D147 PolarHBondContact NH1-OD2 2.83Å; R122-D147 IonicContact NH2-OD2 3.97Å; R122-D147 PolarHBondContact NH2-OD2 3.24Å; D147-L149 PolarHBondContact O-N 2.81Å; D147-L149 PolarHBondContact OD1-N 3.3Å; D147-S150 PolarHBondContact N-OG 3.02Å; D147-S150 VanDerWaalsContact N-OG 3.09Å; D147-S150 PolarHBondContact O-N 3.1Å; D147-S150 PolarHBondContact O-OG 2.87Å; D147-S150 WeakPolarHBondContact OD1-CB 3.4Å; D147-S150 PolarHBondContact OD1-N 2.76Å; D147-S150 PolarHBondContact OD1-OG 3.22Å; D147-I151 WeakPolarHBondContact O-CG1 3.24Å; D147-I151 PolarHBondContact O-N 2.85Å; D147-Q171 HydrophobicContact CB-CB 4.39Å
148S96.7Very high97.7Very high29 Ų2931.2 Ų31.220%0.20315%0.153CC..Hα-helixtrans-59-32.1-179.1-55.60000113.6R152S148-R152 WeakPolarHBondContact O-CB 3.49Å; S148-R152 WeakPolarHBondContact O-CD 3.37Å; S148-R152 WeakPolarHBondContact O-CG 3.28Å; S148-R152 PolarHBondContact O-N 3.18Å
149L97.1Very high97.6Very high112 Ų11233 Ų3359%0.58617%0.172SC*.Hα-helixtrans-70.5-45-179.4-67.7175.5000111.6D147 R152 S153D147-L149 PolarHBondContact O-N 2.81Å; D147-L149 PolarHBondContact OD1-N 3.3Å; L149-R152 WeakPolarHBondContact O-CB 3.43Å; L149-R152 PolarHBondContact O-N 2.98Å; L149-S153 PolarHBondContact O-N 2.77Å
150S98Very high97.6Very high1 Ų134.2 Ų34.21%0.00718%0.184CC..Hα-helixtrans-68.9-35.7177.851.90000112.4D147 S153 L154D147-S150 PolarHBondContact N-OG 3.02Å; D147-S150 VanDerWaalsContact N-OG 3.09Å; D147-S150 PolarHBondContact O-N 3.1Å; D147-S150 PolarHBondContact O-OG 2.87Å; D147-S150 WeakPolarHBondContact OD1-CB 3.4Å; D147-S150 PolarHBondContact OD1-N 2.76Å; D147-S150 PolarHBondContact OD1-OG 3.22Å; S150-S153 PolarHBondContact O-N 3.4Å; S150-L154 PolarHBondContact O-N 3.08Å
151I98.6Very high97.6Very high0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-64.8-37.9170.8-65.5-61000112.3L125 V146 D147 L154 A155 L166 L172 A176 L180L125-I151 HydrophobicContact CD2-CD1 4.34Å; V146-I151 HydrophobicContact CG1-CD1 3.78Å; V146-I151 HydrophobicContact CG1-CG1 3.98Å; D147-I151 WeakPolarHBondContact O-CG1 3.24Å; D147-I151 PolarHBondContact O-N 2.85Å; I151-L154 HydrophobicContact CD1-CD2 4.46Å; I151-L154 WeakPolarHBondContact O-CB 3.42Å; I151-L154 PolarHBondContact O-N 3.39Å; I151-A155 WeakPolarHBondContact O-CB 3.35Å; I151-A155 PolarHBondContact O-N 3.02Å; I151-L166 HydrophobicContact CD1-CD1 4.3Å; I151-L166 HydrophobicContact CD1-CD2 3.79Å; I151-L172 HydrophobicContact CG1-CD2 3.76Å; I151-A176 HydrophobicContact CB-CB 4.28Å; I151-A176 HydrophobicContact CG2-CB 4.11Å; I151-A176 WeakPolarHBondContact CG2-O 3.39Å; I151-L180 HydrophobicContact CG2-CB 4Å; I151-L180 HydrophobicContact CG2-CD1 4.38Å
152R98.3Very high97.7Very high72 Ų7238.1 Ų38.127%0.27220%0.199SC..Hα-helixtrans-61.9-46.5174-77.7167171.7-814.1111.6S148 L149 L154 A155 D156 E175 Y179S148-R152 WeakPolarHBondContact O-CB 3.49Å; S148-R152 WeakPolarHBondContact O-CD 3.37Å; S148-R152 WeakPolarHBondContact O-CG 3.28Å; S148-R152 PolarHBondContact O-N 3.18Å; L149-R152 WeakPolarHBondContact O-CB 3.43Å; L149-R152 PolarHBondContact O-N 2.98Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 2.88Å; R152-A155 PolarHBondContact O-N 3.5Å; R152-D156 PolarHBondContact O-N 3.15Å; R152-E175 IonicContact CZ-OE1 2.9Å; R152-E175 IonicContact NE-OE1 3.46Å; R152-E175 IonicContact NH2-OE1 2.67Å; R152-E175 PolarHBondContact NH2-OE1 3.35Å; R152-Y179 HydrophobicContact CB-CD1 4.26Å; R152-Y179 HydrophobicContact CB-CE1 4.23Å; R152-Y179 HydrophobicContact CG-CD1 3.79Å; R152-Y179 HydrophobicContact CG-CE1 4.09Å; R152-Y179 HydrophobicContact CG-CG 4.08Å
153S98.5Very high97.8Very high19 Ų1934.2 Ų34.213%0.13318%0.183CC..Hα-helixtrans-56.7-45.9175.6-173.80000111.8L149 S150 D156 H157L149-S153 PolarHBondContact O-N 2.77Å; S150-S153 PolarHBondContact O-N 3.4Å; S153-D156 PolarHBondContact O-N 2.8Å; S153-H157 PolarHBondContact O-N 3.25Å; S153-H157 PolarHBondContact O-ND1 3.1Å
154L98.7Very high97.9Very high0 Ų034.2 Ų34.20%018%0.183CC..Hα-helixtrans-58.7-49.7175.7178.771.8000111.8L125 S129 L135 L138 S150 I151 R152 D156 H157 C158 L161 I164 L180L125-L154 HydrophobicContact CD1-CB 4.48Å; L125-L154 HydrophobicContact CD1-CD1 4.23Å; L125-L154 HydrophobicContact CD1-CD2 4.47Å; S129-L154 WeakPolarHBondContact OG-CA 3.34Å; S129-L154 PolarHBondContact OG-N 3.49Å; L135-L154 HydrophobicContact CD2-CD1 4.07Å; L138-L154 HydrophobicContact CD2-CD1 3.73Å; L138-L154 HydrophobicContact CD2-CD2 3.47Å; L138-L154 VanDerWaalsContact CD2-CD2 3.47Å; L138-L154 HydrophobicContact CD2-CG 4.25Å; S150-L154 PolarHBondContact O-N 3.08Å; I151-L154 HydrophobicContact CD1-CD2 4.46Å; I151-L154 WeakPolarHBondContact O-CB 3.42Å; I151-L154 PolarHBondContact O-N 3.39Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 2.88Å; L154-D156 VanDerWaalsContact C-N 3.29Å; L154-D156 PolarHBondContact O-N 3.41Å; L154-H157 PolarHBondContact O-N 2.98Å; L154-C158 HydrophobicContact CD1-CB 3.89Å; L154-C158 HydrophobicContact CG-CB 4.49Å; L154-C158 VanDerWaalsContact O-CB 3.32Å; L154-C158 WeakPolarHBondContact O-CB 3.18Å; L154-C158 PolarHBondContact O-N 3.35Å; L154-L161 HydrophobicContact CD2-CD2 3.97Å; L154-L161 HydrophobicContact CG-CD2 4.41Å; L154-I164 HydrophobicContact CD2-CD1 3.62Å; L154-L180 HydrophobicContact CD2-CD1 4.23Å
155A98.5Very high98.1Very high2 Ų230 Ų302%0.01716%0.164CC..Hα-helixtrans-61.6-37.1-179.400000112.3I151 R152 Y179 L180 K183I151-A155 WeakPolarHBondContact O-CB 3.35Å; I151-A155 PolarHBondContact O-N 3.02Å; R152-A155 PolarHBondContact O-N 3.5Å; A155-Y179 HydrophobicContact CB-CD1 3.68Å; A155-Y179 HydrophobicContact CB-CE1 3.9Å; A155-L180 HydrophobicContact CB-CD1 4.05Å; A155-K183 HydrophobicContact CB-CB 3.91Å; A155-K183 HydrophobicContact CB-CG 3.97Å; A155-K183 VanDerWaalsContact O-CB 3.25Å; A155-K183 WeakPolarHBondContact O-CB 3.24Å
156D98.6Very high98.2Very high78 Ų7828.8 Ų28.842%0.41716%0.16SC..Hα-helixtrans-73-26.1-178.9-72.7-28.6000113.5R152 S153 L154 Y179 K183R152-D156 PolarHBondContact O-N 3.15Å; S153-D156 PolarHBondContact O-N 2.8Å; L154-D156 VanDerWaalsContact C-N 3.29Å; L154-D156 PolarHBondContact O-N 3.41Å; D156-Y179 WeakPolarHBondContact OD1-CE1 3.3Å; D156-Y179 PolarHBondContact OD1-OH 3.44Å; D156-Y179 PolarHBondContact OD2-OH 3.44Å; D156-K183 WeakPolarHBondContact OD1-CE 3.46Å; D156-K183 IonicContact OD1-NZ 3.43Å
157H98.5Very high98.2Very high79 Ų7929.8 Ų29.837%0.36617%0.166SC..Hα-helixtrans-113.6-23.4-173.7-60.985.2000114.6S129 L130 S153 L154S129-H157 WeakPolarHBondContact O-CB 3.28Å; L130-H157 WeakPolarHBondContact CD2-NE2 3.49Å; S153-H157 PolarHBondContact O-N 3.25Å; S153-H157 PolarHBondContact O-ND1 3.1Å; L154-H157 PolarHBondContact O-N 2.98Å
158C98.1Very high98.3Very high0 Ų029.6 Ų29.60%017%0.166CC..  trans-112.354.1-175.8-59.10000112C132 L135 L154 G160 L161C132-C158 PolarHBondContact O-SG 3.07Å; C132-C158 VanDerWaalsContact O-SG 3.42Å; L135-C158 HydrophobicContact CB-CB 4.37Å; L154-C158 HydrophobicContact CD1-CB 3.89Å; L154-C158 HydrophobicContact CG-CB 4.49Å; L154-C158 VanDerWaalsContact O-CB 3.32Å; L154-C158 WeakPolarHBondContact O-CB 3.18Å; L154-C158 PolarHBondContact O-N 3.35Å; C158-G160 PolarHBondContact O-N 3.27Å; C158-L161 WeakPolarHBondContact O-CB 3.35Å; C158-L161 PolarHBondContact O-N 3.28Å
159G97Very high98.3Very high38 Ų3828.2 Ų28.239%0.39216%0.157SC..THydrogen-bonded Turntrans-61.7-12.7178.700000115
160G97.6Very high98.2Very high25 Ų2530.6 Ų30.626%0.25816%0.158SC..THydrogen-bonded Turntrans-84.3-0.517400000115.4L135 C158 R162L135-G160 CarbonylContact O-C 3.59Å; C158-G160 PolarHBondContact O-N 3.27Å; G160-R162 WeakPolarHBondContact O-CG 3.47Å; G160-R162 PolarHBondContact O-N 3.48Å
161L98.7Very high98.1Very high0 Ų035.3 Ų35.30%018%0.18CC..  trans-60128.4-174.7-165.769.1000111.6L135 L138 L154 C158 I164 L180 C184 K186 M187L135-L161 HydrophobicContact CD2-CD1 4.15Å; L135-L161 HydrophobicContact CG-CD1 4.19Å; L135-L161 WeakPolarHBondContact O-CA 3.26Å; L135-L161 PolarHBondContact O-N 3.28Å; L138-L161 HydrophobicContact CB-CD1 4.12Å; L154-L161 HydrophobicContact CD2-CD2 3.97Å; L154-L161 HydrophobicContact CG-CD2 4.41Å; C158-L161 WeakPolarHBondContact O-CB 3.35Å; C158-L161 PolarHBondContact O-N 3.28Å; L161-I164 HydrophobicContact CD2-CB 4Å; L161-I164 HydrophobicContact CD2-CD1 4Å; L161-I164 HydrophobicContact CD2-CG1 4.38Å; L161-L180 HydrophobicContact CD2-CD1 4.36Å; L161-C184 HydrophobicContact CB-CB 4.32Å; L161-K186 CarbonylContact O-C 3.58Å; L161-M187 PolarHBondContact O-N 3.28Å
162R98.8Very high98.1Very high85 Ų8535.3 Ų35.332%0.32118%0.18SC..  trans-110.8-30.7-177.3-58.6-175.5179.5-83.25.5112.5Q136 G160 R188 S189Q136-R162 HydrophobicContact CB-CG 4.34Å; Q136-R162 CarbonylContact O-C 3.31Å; Q136-R162 WeakPolarHBondContact O-CA 3.47Å; Q136-R162 WeakPolarHBondContact O-CB 3.34Å; Q136-R162 PolarHBondContact O-N 3Å; G160-R162 WeakPolarHBondContact O-CG 3.47Å; G160-R162 PolarHBondContact O-N 3.48Å; R162-R188 WeakPolarHBondContact O-CA 3.31Å; R162-R188 PolarHBondContact O-N 3.21Å; R162-S189 PolarHBondContact O-N 2.69Å
163S98.9Very high97.9Very high25 Ų2537.8 Ų37.818%0.17519%0.193CC..EExtended strand (participates in β ladder)trans-141.7128.5-174.8-175.30000109.6Q136 Y137 L138 S189Q136-S163 PolarHBondContact O-N 3.38Å; Y137-S163 CarbonylContact C-O 3.25Å; Y137-S163 WeakPolarHBondContact CA-O 3.45Å; Y137-S163 WeakPolarHBondContact CD2-OG 3.15Å; L138-S163 PolarHBondContact N-O 2.94Å; S163-S189 VanDerWaalsContact CA-O 3.27Å; S163-S189 WeakPolarHBondContact CA-O 3.3Å
164I98.9Very high97.9Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-140.2132.8174.5-166.2177.4000110.6L138 L154 L161 L166 L180 M187 S189 L190 S191L138-I164 HydrophobicContact CB-CG1 4.22Å; L138-I164 HydrophobicContact CD2-CD1 4.27Å; L138-I164 HydrophobicContact CD2-CG1 4.47Å; L138-I164 HydrophobicContact CG-CG1 4.49Å; L138-I164 VanDerWaalsContact O-CA 3.31Å; L138-I164 WeakPolarHBondContact O-CA 3.45Å; L154-I164 HydrophobicContact CD2-CD1 3.62Å; L161-I164 HydrophobicContact CD2-CB 4Å; L161-I164 HydrophobicContact CD2-CD1 4Å; L161-I164 HydrophobicContact CD2-CG1 4.38Å; I164-L166 HydrophobicContact CD1-CD1 4.01Å; I164-L166 HydrophobicContact CD1-CD2 3.74Å; I164-L166 HydrophobicContact CD1-CG 3.89Å; I164-L166 HydrophobicContact CG1-CD1 4.48Å; I164-L166 HydrophobicContact CG1-CD2 4.02Å; I164-L166 HydrophobicContact CG1-CG 3.96Å; I164-L180 HydrophobicContact CD1-CD2 3.91Å; I164-L180 HydrophobicContact CG2-CD2 4.07Å; I164-M187 HydrophobicContact CG2-CE 4.02Å; I164-M187 HydrophobicContact CG2-SD 4.44Å; I164-S189 PolarHBondContact N-O 3.42Å; I164-L190 HydrophobicContact CG2-CD1 3.4Å; I164-S191 PolarHBondContact O-N 3.34Å
165D98.8Very high97.9Very high25 Ų2543.6 Ų43.613%0.13422%0.218CC..EExtended strand (participates in β ladder)trans-112.1107.4175.3-174.2-3.7000109.5R115 L138 L140 A141 T167 S191R115-D165 IonicContact NH2-OD2 3.47Å; L138-D165 PolarHBondContact O-N 2.88Å; L140-D165 CarbonylContact C-O 3.56Å; L140-D165 WeakPolarHBondContact CA-O 3.45Å; L140-D165 WeakPolarHBondContact CB-O 3.36Å; L140-D165 PolarHBondContact N-O 2.89Å; A141-D165 PolarHBondContact N-O 3.38Å; D165-T167 WeakPolarHBondContact OD1-CB 3.32Å; D165-T167 PolarHBondContact OD1-N 3.22Å; D165-T167 PolarHBondContact OD1-OG1 2.91Å; D165-S191 WeakPolarHBondContact OD1-CB 3.23Å
166L98.7Very high97.9Very high0 Ų043.5 Ų43.50%022%0.218CC..  trans-10924.1178.5-59.7171.9000111.4L140 V146 I151 I164 A168 C169 L172 I177 L180 S191 V192 N195L140-L166 HydrophobicContact CB-CD2 4.18Å; L140-L166 HydrophobicContact CD1-CD2 3.78Å; V146-L166 HydrophobicContact CG1-CD2 4.31Å; I151-L166 HydrophobicContact CD1-CD1 4.3Å; I151-L166 HydrophobicContact CD1-CD2 3.79Å; I164-L166 HydrophobicContact CD1-CD1 4.01Å; I164-L166 HydrophobicContact CD1-CD2 3.74Å; I164-L166 HydrophobicContact CD1-CG 3.89Å; I164-L166 HydrophobicContact CG1-CD1 4.48Å; I164-L166 HydrophobicContact CG1-CD2 4.02Å; I164-L166 HydrophobicContact CG1-CG 3.96Å; L166-A168 PolarHBondContact O-N 3.42Å; L166-C169 HydrophobicContact CB-CB 4.49Å; L166-C169 WeakPolarHBondContact O-CB 3.38Å; L166-C169 PolarHBondContact O-N 3.2Å; L166-L172 HydrophobicContact CB-CD1 3.92Å; L166-L172 HydrophobicContact CD1-CD1 3.86Å; L166-L172 HydrophobicContact CD2-CD1 4.11Å; L166-L172 HydrophobicContact CG-CD1 4.18Å; L166-I177 HydrophobicContact CD1-CD1 3.48Å; L166-I177 VanDerWaalsContact CD1-CD1 3.48Å; L166-L180 HydrophobicContact CD1-CD2 4.25Å; L166-S191 WeakPolarHBondContact CA-O 3.48Å; L166-S191 WeakPolarHBondContact CB-O 3.45Å; L166-S191 PolarHBondContact N-O 2.89Å; L166-V192 HydrophobicContact CB-CG1 4.46Å; L166-V192 HydrophobicContact CD1-CG1 4.42Å; L166-N195 PolarHBondContact O-ND2 3.36Å
167T98.7Very high97.9Very high22 Ų2239.9 Ų39.914%0.13520%0.198CC..THydrogen-bonded Turntrans-54.5129.3-180-58.90000110.5A141 H142 D165 C169 S191 A193 V194A141-T167 CarbonylContact C-O 3.55Å; A141-T167 VanDerWaalsContact CA-O 3.27Å; A141-T167 WeakPolarHBondContact CA-O 3.27Å; H142-T167 PolarHBondContact N-O 3.29Å; D165-T167 WeakPolarHBondContact OD1-CB 3.32Å; D165-T167 PolarHBondContact OD1-N 3.22Å; D165-T167 PolarHBondContact OD1-OG1 2.91Å; T167-C169 PolarHBondContact O-N 3.4Å; T167-C169 VanDerWaalsContact O-N 3.17Å; T167-S191 PolarHBondContact OG1-OG 3.35Å; T167-A193 CarbonylContact C-O 3.49Å; T167-A193 VanDerWaalsContact CA-O 3.29Å; T167-A193 WeakPolarHBondContact CA-O 3.47Å; T167-A193 HydrophobicContact CG2-CB 3.94Å; T167-V194 HydrophobicContact CG2-CG2 4.25Å
168A98Very high97.9Very high9 Ų936.9 Ų36.97%0.07419%0.186CC..THydrogen-bonded Turntrans57.125.4178.200000115.7L166 R170 A193 V194L166-A168 PolarHBondContact O-N 3.42Å; A168-R170 VanDerWaalsContact C-N 3.31Å; A168-R170 WeakPolarHBondContact O-CG 3.34Å; A168-R170 PolarHBondContact O-N 3.04Å; A168-A193 PolarHBondContact N-O 2.87Å; A168-V194 HydrophobicContact CB-CB 4.23Å; A168-V194 HydrophobicContact CB-CG1 4.39Å
169C97.9Very high97.9Very high0 Ų039.6 Ų39.60%020%0.196CC..  trans-77.675.3168.9-68.40000111.5L140 V146 L166 T167 Q171 L172 N195L140-C169 PolarHBondContact O-SG 3.19Å; V146-C169 HydrophobicContact CB-CB 4.38Å; L166-C169 HydrophobicContact CB-CB 4.49Å; L166-C169 WeakPolarHBondContact O-CB 3.38Å; L166-C169 PolarHBondContact O-N 3.2Å; T167-C169 PolarHBondContact O-N 3.4Å; T167-C169 VanDerWaalsContact O-N 3.17Å; C169-Q171 PolarHBondContact O-N 3.37Å; C169-L172 HydrophobicContact CB-CD1 3.49Å; C169-L172 VanDerWaalsContact CB-CD1 3.49Å; C169-L172 HydrophobicContact CB-CG 3.81Å; C169-L172 WeakPolarHBondContact O-CB 3.49Å; C169-L172 WeakPolarHBondContact O-CG 3.33Å; C169-L172 PolarHBondContact O-N 3.41Å; C169-N195 PolarHBondContact N-OD1 3.02Å; C169-N195 PolarHBondContact O-OD1 3.37Å
170R95.4Very high98Very high162 Ų16237.8 Ų37.861%0.61118%0.178SC*.THydrogen-bonded Turntrans-57.3-20.2-164.1-53.5-177.775.994.3-2116.7E144 A168 L172E144-R170 VanDerWaalsContact OE1-CD 3.27Å; E144-R170 WeakPolarHBondContact OE1-CD 3.37Å; A168-R170 VanDerWaalsContact C-N 3.31Å; A168-R170 WeakPolarHBondContact O-CG 3.34Å; A168-R170 PolarHBondContact O-N 3.04Å; R170-L172 VanDerWaalsContact C-N 3.29Å
171Q95.7Very high98.1Very high99 Ų9936.6 Ų36.646%0.46317%0.166SC..THydrogen-bonded Turntrans-79.6-12.3177.9-57.9-169.110.600113.2E144 D147 C169E144-Q171 WeakPolarHBondContact O-CG 3.31Å; E144-Q171 PolarHBondContact O-NE2 3.07Å; D147-Q171 HydrophobicContact CB-CB 4.39Å; C169-Q171 PolarHBondContact O-N 3.37Å
172L97Very high98Very high0 Ų041.7 Ų41.70%019%0.188CC..  trans-73.9149.4-177.2-62.5-176.8000112.8V146 I151 L166 C169 R170 A176 I177 N197V146-L172 HydrophobicContact CG1-CD1 4.44Å; V146-L172 HydrophobicContact CG1-CD2 4.24Å; I151-L172 HydrophobicContact CG1-CD2 3.76Å; L166-L172 HydrophobicContact CB-CD1 3.92Å; L166-L172 HydrophobicContact CD1-CD1 3.86Å; L166-L172 HydrophobicContact CD2-CD1 4.11Å; L166-L172 HydrophobicContact CG-CD1 4.18Å; C169-L172 HydrophobicContact CB-CD1 3.49Å; C169-L172 VanDerWaalsContact CB-CD1 3.49Å; C169-L172 HydrophobicContact CB-CG 3.81Å; C169-L172 WeakPolarHBondContact O-CB 3.49Å; C169-L172 WeakPolarHBondContact O-CG 3.33Å; C169-L172 PolarHBondContact O-N 3.41Å; R170-L172 VanDerWaalsContact C-N 3.29Å; L172-A176 HydrophobicContact CD2-CB 4Å; L172-I177 HydrophobicContact CD1-CD1 4.25Å; L172-N197 WeakPolarHBondContact O-CB 3.25Å
173K96Very high98Very high125 Ų12542 Ų4254%0.54319%0.192SC..  trans-139.1170.1176-60.8-177.2-177.6176.70108.8E175 A176 N197K173-E175 PolarHBondContact O-N 3.23Å; K173-E175 VanDerWaalsContact O-N 3.1Å; K173-A176 PolarHBondContact O-N 2.96Å; K173-A176 VanDerWaalsContact O-N 3.08Å; K173-N197 HydrophobicContact CG-CB 4.14Å
174D98.6Very high98Very high27 Ų2740.9 Ų40.914%0.14418%0.183CC..Hα-helixtrans-49.5-41.6-178.7-69-41.5000113.7A176 I177 C178 T199 V201 S202D174-A176 VanDerWaalsContact C-N 3.27Å; D174-A176 PolarHBondContact O-N 2.98Å; D174-I177 PolarHBondContact O-N 3.19Å; D174-I177 VanDerWaalsContact O-N 3.12Å; D174-C178 WeakPolarHBondContact O-CB 3.44Å; D174-C178 PolarHBondContact O-N 2.82Å; D174-C178 PolarHBondContact O-SG 2.97Å; D174-T199 PolarHBondContact OD1-N 2.9Å; D174-T199 WeakPolarHBondContact OD2-CB 3.5Å; D174-T199 WeakPolarHBondContact OD2-CG2 3.35Å; D174-T199 PolarHBondContact OD2-OG1 2.94Å; D174-V201 HydrophobicContact CB-CB 4.38Å; D174-V201 HydrophobicContact CB-CG1 4.38Å; D174-S202 WeakPolarHBondContact OD1-CB 3.42Å; D174-S202 PolarHBondContact OD1-OG 3.28Å
175E98.2Very high97.9Very high114 Ų11445.2 Ų45.253%0.53321%0.206SC..Hα-helixtrans-53.9-40.7-178.7-171.8-172.3164.100113.4R152 K173 Y179R152-E175 IonicContact CZ-OE1 2.9Å; R152-E175 IonicContact NE-OE1 3.46Å; R152-E175 IonicContact NH2-OE1 2.67Å; R152-E175 PolarHBondContact NH2-OE1 3.35Å; K173-E175 PolarHBondContact O-N 3.23Å; K173-E175 VanDerWaalsContact O-N 3.1Å; E175-Y179 WeakPolarHBondContact O-CB 3.47Å; E175-Y179 PolarHBondContact O-N 2.56Å
176A98.2Very high97.9Very high0 Ų049.5 Ų49.50%022%0.224CC..Hα-helixtrans-67.4-45.5179.800000111.3I151 L172 K173 D174 Y179 L180I151-A176 HydrophobicContact CB-CB 4.28Å; I151-A176 HydrophobicContact CG2-CB 4.11Å; I151-A176 WeakPolarHBondContact CG2-O 3.39Å; L172-A176 HydrophobicContact CD2-CB 4Å; K173-A176 PolarHBondContact O-N 2.96Å; K173-A176 VanDerWaalsContact O-N 3.08Å; D174-A176 VanDerWaalsContact C-N 3.27Å; D174-A176 PolarHBondContact O-N 2.98Å; A176-Y179 PolarHBondContact O-N 2.85Å; A176-L180 WeakPolarHBondContact O-CB 3.3Å; A176-L180 PolarHBondContact O-N 3.36Å
177I98.7Very high97.9Very high2 Ų249.6 Ų49.61%0.0122%0.224CC..Hα-helixtrans-69.8-40.1-179-54.5-52.4000111L166 L172 D174 Y179 L180 S181 L190 V192 I198 V206L166-I177 HydrophobicContact CD1-CD1 3.48Å; L166-I177 VanDerWaalsContact CD1-CD1 3.48Å; L172-I177 HydrophobicContact CD1-CD1 4.25Å; D174-I177 PolarHBondContact O-N 3.19Å; D174-I177 VanDerWaalsContact O-N 3.12Å; I177-Y179 VanDerWaalsContact C-N 3.33Å; I177-Y179 PolarHBondContact O-N 3.21Å; I177-L180 PolarHBondContact O-N 2.54Å; I177-S181 PolarHBondContact O-N 3.38Å; I177-S181 PolarHBondContact O-OG 3.24Å; I177-L190 HydrophobicContact CG2-CD2 4.37Å; I177-V192 HydrophobicContact CD1-CG1 3.76Å; I177-V192 HydrophobicContact CG1-CG1 4.14Å; I177-V192 HydrophobicContact CG2-CG1 4.45Å; I177-I198 HydrophobicContact CG1-CD1 3.57Å; I177-V206 HydrophobicContact CG2-CG2 3.7Å
178C98.8Very high97.9Very high15 Ų1552.5 Ų52.510%0.10123%0.232CC..Hα-helixtrans-60-41.7172.8-700000112.2D174 S181 K182 S202 E205D174-C178 WeakPolarHBondContact O-CB 3.44Å; D174-C178 PolarHBondContact O-N 2.82Å; D174-C178 PolarHBondContact O-SG 2.97Å; C178-S181 PolarHBondContact O-OG 2.91Å; C178-K182 VanDerWaalsContact O-CG 3.29Å; C178-K182 WeakPolarHBondContact O-CG 3.43Å; C178-K182 PolarHBondContact O-N 3.33Å; C178-S202 VanDerWaalsContact SG-CA 3.58Å; C178-E205 HydrophobicContact CB-CB 4.36Å; C178-E205 HydrophobicContact CB-CG 3.96Å
179Y98.6Very high98Very high57 Ų5753.2 Ų53.222%0.22424%0.237CC..Hα-helixtrans-68.2-42.3178.1-164.8-90.9000111.1R152 A155 D156 E175 A176 I177 K182 K183R152-Y179 HydrophobicContact CB-CD1 4.26Å; R152-Y179 HydrophobicContact CB-CE1 4.23Å; R152-Y179 HydrophobicContact CG-CD1 3.79Å; R152-Y179 HydrophobicContact CG-CE1 4.09Å; R152-Y179 HydrophobicContact CG-CG 4.08Å; A155-Y179 HydrophobicContact CB-CD1 3.68Å; A155-Y179 HydrophobicContact CB-CE1 3.9Å; D156-Y179 WeakPolarHBondContact OD1-CE1 3.3Å; D156-Y179 PolarHBondContact OD1-OH 3.44Å; D156-Y179 PolarHBondContact OD2-OH 3.44Å; E175-Y179 WeakPolarHBondContact O-CB 3.47Å; E175-Y179 PolarHBondContact O-N 2.56Å; A176-Y179 PolarHBondContact O-N 2.85Å; I177-Y179 VanDerWaalsContact C-N 3.33Å; I177-Y179 PolarHBondContact O-N 3.21Å; Y179-K182 PolarHBondContact O-N 3.21Å; Y179-K183 HydrophobicContact CD1-CG 4.34Å; Y179-K183 HydrophobicContact CE1-CG 4.03Å; Y179-K183 WeakPolarHBondContact O-CG 3.39Å; Y179-K183 PolarHBondContact O-N 3.16Å; Y179-K183 WeakPolarHBondContact OH-CE 3.39Å
180L98.7Very high98Very high1 Ų153.3 Ų53.31%0.00524%0.237CC..Hα-helixtrans-59.3-48176.1-175.168.7000111.8I151 L154 A155 L161 I164 L166 A176 I177 K182 K183 C184 M187I151-L180 HydrophobicContact CG2-CB 4Å; I151-L180 HydrophobicContact CG2-CD1 4.38Å; L154-L180 HydrophobicContact CD2-CD1 4.23Å; A155-L180 HydrophobicContact CB-CD1 4.05Å; L161-L180 HydrophobicContact CD2-CD1 4.36Å; I164-L180 HydrophobicContact CD1-CD2 3.91Å; I164-L180 HydrophobicContact CG2-CD2 4.07Å; L166-L180 HydrophobicContact CD1-CD2 4.25Å; A176-L180 WeakPolarHBondContact O-CB 3.3Å; A176-L180 PolarHBondContact O-N 3.36Å; I177-L180 PolarHBondContact O-N 2.54Å; L180-K182 VanDerWaalsContact C-N 3.32Å; L180-K182 PolarHBondContact O-N 3.37Å; L180-K183 PolarHBondContact O-N 3.36Å; L180-C184 WeakPolarHBondContact O-CB 3.34Å; L180-C184 PolarHBondContact O-N 2.77Å; L180-M187 HydrophobicContact CD2-CE 3.87Å; L180-M187 HydrophobicContact CG-CE 3.84Å
181S98.4Very high98.2Very high0 Ų046.1 Ų46.10%021%0.212CC..Hα-helixtrans-65.1-33.1-178.964.70000113.3I177 C178 K183 E205 N209I177-S181 PolarHBondContact O-N 3.38Å; I177-S181 PolarHBondContact O-OG 3.24Å; C178-S181 PolarHBondContact O-OG 2.91Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.32Å; S181-E205 WeakPolarHBondContact OG-CG 3.41Å; S181-E205 PolarHBondContact OG-O 3.25Å; S181-N209 VanDerWaalsContact O-CB 3.3Å; S181-N209 WeakPolarHBondContact O-CB 3.35Å
182K98.5Very high98.3Very high106 Ų10641.5 Ų41.546%0.46119%0.19SC..Hα-helixtrans-68.1-25.9175.9-75.2175.2-176.3179.70113.9C178 Y179 L180 E205C178-K182 VanDerWaalsContact O-CG 3.29Å; C178-K182 WeakPolarHBondContact O-CG 3.43Å; C178-K182 PolarHBondContact O-N 3.33Å; Y179-K182 PolarHBondContact O-N 3.21Å; L180-K182 VanDerWaalsContact C-N 3.32Å; L180-K182 PolarHBondContact O-N 3.37Å; K182-E205 WeakPolarHBondContact CE-OE1 3.05Å; K182-E205 WeakPolarHBondContact CE-OE2 3.26Å; K182-E205 IonicContact NZ-OE1 2.69Å; K182-E205 IonicContact NZ-OE2 3.29Å; K182-E205 PolarHBondContact NZ-OE2 3.3Å
183K98.3Very high98.4Very high93 Ų9341.7 Ų41.740%0.40419%0.192SC..Hα-helixtrans-101.5-39-176.9-62.8-70.1-169164.50112.7A155 D156 Y179 L180 S181 L185A155-K183 HydrophobicContact CB-CB 3.91Å; A155-K183 HydrophobicContact CB-CG 3.97Å; A155-K183 VanDerWaalsContact O-CB 3.25Å; A155-K183 WeakPolarHBondContact O-CB 3.24Å; D156-K183 WeakPolarHBondContact OD1-CE 3.46Å; D156-K183 IonicContact OD1-NZ 3.43Å; Y179-K183 HydrophobicContact CD1-CG 4.34Å; Y179-K183 HydrophobicContact CE1-CG 4.03Å; Y179-K183 WeakPolarHBondContact O-CG 3.39Å; Y179-K183 PolarHBondContact O-N 3.16Å; Y179-K183 WeakPolarHBondContact OH-CE 3.39Å; L180-K183 PolarHBondContact O-N 3.36Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.32Å; K183-L185 PolarHBondContact O-N 3.07Å
184C98.1Very high98.5Very high0 Ų039.3 Ų39.30%019%0.187CC..  trans-94.663.5-175.4-61.70000111.7L161 L180 K186 M187L161-C184 HydrophobicContact CB-CB 4.32Å; L180-C184 WeakPolarHBondContact O-CB 3.34Å; L180-C184 PolarHBondContact O-N 2.77Å; C184-K186 PolarHBondContact O-N 3.27Å; C184-M187 HydrophobicContact CB-CE 3.92Å; C184-M187 WeakPolarHBondContact O-CB 3.21Å; C184-M187 PolarHBondContact O-N 3.23Å; C184-M187 VanDerWaalsContact O-N 3.14Å
185L98Very high98.4Very high92 Ų9238.1 Ų38.148%0.48218%0.181SC..THydrogen-bonded Turntrans-64.9-12.8-173.5-56.2179.1000114.8K183 M187 N209K183-L185 PolarHBondContact O-N 3.07Å; L185-M187 VanDerWaalsContact C-N 3.35Å; L185-N209 HydrophobicContact CD2-CB 4.09Å
186K98Very high98.3Very high116 Ų11635.3 Ų35.350%0.50418%0.178SC..THydrogen-bonded Turntrans-93.610179-62.6-176.6-177.7175.50113.3L161 C184 R188L161-K186 CarbonylContact O-C 3.58Å; C184-K186 PolarHBondContact O-N 3.27Å; K186-R188 PolarHBondContact O-N 3.23Å
187M98.6Very high98.2Very high1 Ų138.1 Ų38.11%0.00519%0.193CC..  trans-60.9129.6-179.3-169.4172.3-6800111.3L161 I164 L180 C184 L185 L190 C210 E212 L213L161-M187 PolarHBondContact O-N 3.28Å; I164-M187 HydrophobicContact CG2-CE 4.02Å; I164-M187 HydrophobicContact CG2-SD 4.44Å; L180-M187 HydrophobicContact CD2-CE 3.87Å; L180-M187 HydrophobicContact CG-CE 3.84Å; C184-M187 HydrophobicContact CB-CE 3.92Å; C184-M187 WeakPolarHBondContact O-CB 3.21Å; C184-M187 PolarHBondContact O-N 3.23Å; C184-M187 VanDerWaalsContact O-N 3.14Å; L185-M187 VanDerWaalsContact C-N 3.35Å; M187-L190 HydrophobicContact CG-CB 4.49Å; M187-L190 HydrophobicContact SD-CB 3.8Å; M187-L190 HydrophobicContact SD-CD1 4.1Å; M187-L190 HydrophobicContact SD-CD2 4.08Å; M187-L190 HydrophobicContact SD-CG 4.21Å; M187-C210 HydrophobicContact CB-CB 4.19Å; M187-E212 CarbonylContact O-C 3.57Å; M187-E212 VanDerWaalsContact O-C 3.31Å; M187-L213 HydrophobicContact CG-CD1 4.22Å; M187-L213 PolarHBondContact O-N 2.86Å
188R98.8Very high98.1Very high84 Ų8438.1 Ų38.132%0.31719%0.193SC..  trans-116.1-33.2179.8-63.6-169.4169.6-136-4.4112.4R162 K186 E212 E214 Q215R162-R188 WeakPolarHBondContact O-CA 3.31Å; R162-R188 PolarHBondContact O-N 3.21Å; K186-R188 PolarHBondContact O-N 3.23Å; R188-E212 HydrophobicContact CG-CB 4.48Å; R188-E212 IonicContact NH2-OE2 3.57Å; R188-E214 IonicContact CZ-OE1 2.67Å; R188-E214 IonicContact NE-OE1 2.68Å; R188-E214 IonicContact NH1-OE1 3.81Å; R188-E214 PolarHBondContact NH1-OE1 3.4Å; R188-E214 IonicContact NH1-OE2 3.58Å; R188-E214 CarbonylContact O-C 3.35Å; R188-E214 WeakPolarHBondContact O-CA 3.43Å; R188-E214 PolarHBondContact O-N 3.36Å; R188-Q215 PolarHBondContact O-N 3.11Å
189S98.9Very high98.1Very high23 Ų2338.8 Ų38.816%0.16120%0.196CC..EExtended strand (participates in β ladder)trans-133126.2178.6-1770000110.2R162 S163 I164 Q215R162-S189 PolarHBondContact O-N 2.69Å; S163-S189 VanDerWaalsContact CA-O 3.27Å; S163-S189 WeakPolarHBondContact CA-O 3.3Å; I164-S189 PolarHBondContact N-O 3.42Å; S189-Q215 WeakPolarHBondContact CA-O 3.45Å; S189-Q215 PolarHBondContact OG-OE1 3.39Å
190L98.9Very high98.1Very high3 Ų337.1 Ų37.12%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-132.1122.1175.6176.661.7000109.1I164 I177 M187 V192 V206 L213 Q215 L216 D217I164-L190 HydrophobicContact CG2-CD1 3.4Å; I177-L190 HydrophobicContact CG2-CD2 4.37Å; M187-L190 HydrophobicContact CG-CB 4.49Å; M187-L190 HydrophobicContact SD-CB 3.8Å; M187-L190 HydrophobicContact SD-CD1 4.1Å; M187-L190 HydrophobicContact SD-CD2 4.08Å; M187-L190 HydrophobicContact SD-CG 4.21Å; L190-V192 HydrophobicContact CD1-CG1 3.93Å; L190-V192 HydrophobicContact CD2-CG1 4.38Å; L190-V192 HydrophobicContact CG-CG1 4.14Å; L190-V206 HydrophobicContact CD2-CB 4.3Å; L190-V206 HydrophobicContact CD2-CG1 3.81Å; L190-V206 HydrophobicContact CD2-CG2 3.54Å; L190-L213 HydrophobicContact CB-CD1 4.18Å; L190-Q215 PolarHBondContact N-O 3.16Å; L190-L216 HydrophobicContact CB-CD1 4.15Å; L190-L216 HydrophobicContact CD2-CD1 4.12Å; L190-L216 HydrophobicContact CG-CD1 4.24Å; L190-L216 WeakPolarHBondContact O-CA 3.25Å; L190-D217 PolarHBondContact O-N 3Å
191S98.9Very high98.1Very high10 Ų1041.3 Ų41.37%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-108.5128.4161.4-178.10000110.2I164 D165 L166 T167 A193I164-S191 PolarHBondContact O-N 3.34Å; D165-S191 WeakPolarHBondContact OD1-CB 3.23Å; L166-S191 WeakPolarHBondContact CA-O 3.48Å; L166-S191 WeakPolarHBondContact CB-O 3.45Å; L166-S191 PolarHBondContact N-O 2.89Å; T167-S191 PolarHBondContact OG1-OG 3.35Å; S191-A193 PolarHBondContact OG-N 3.26Å
192V98.7Very high98.1Very high2 Ų241.3 Ų41.31%0.01222%0.217CC..  trans-124.624166.3-67.10000110.5L166 I177 L190 N195 I198 D217 L218 C221L166-V192 HydrophobicContact CB-CG1 4.46Å; L166-V192 HydrophobicContact CD1-CG1 4.42Å; I177-V192 HydrophobicContact CD1-CG1 3.76Å; I177-V192 HydrophobicContact CG1-CG1 4.14Å; I177-V192 HydrophobicContact CG2-CG1 4.45Å; L190-V192 HydrophobicContact CD1-CG1 3.93Å; L190-V192 HydrophobicContact CD2-CG1 4.38Å; L190-V192 HydrophobicContact CG-CG1 4.14Å; V192-N195 VanDerWaalsContact C-ND2 3.3Å; V192-N195 WeakPolarHBondContact O-CB 3.43Å; V192-N195 PolarHBondContact O-N 2.8Å; V192-N195 PolarHBondContact O-ND2 3Å; V192-I198 HydrophobicContact CB-CG1 4.33Å; V192-I198 HydrophobicContact CG2-CG2 4.06Å; V192-D217 PolarHBondContact N-O 2.95Å; V192-L218 HydrophobicContact CG2-CD2 3.49Å; V192-L218 VanDerWaalsContact CG2-CD2 3.49Å; V192-C221 PolarHBondContact O-SG 2.95Å
193A98.6Very high98.2Very high4 Ų436.4 Ų36.43%0.03320%0.196CC..THydrogen-bonded Turntrans-53.8148.6-178.400000112.7T167 A168 S191 N195 D217 T219T167-A193 CarbonylContact C-O 3.49Å; T167-A193 VanDerWaalsContact CA-O 3.29Å; T167-A193 WeakPolarHBondContact CA-O 3.47Å; T167-A193 HydrophobicContact CG2-CB 3.94Å; A168-A193 PolarHBondContact N-O 2.87Å; S191-A193 PolarHBondContact OG-N 3.26Å; A193-N195 PolarHBondContact O-N 2.88Å; A193-N195 VanDerWaalsContact O-N 3.11Å; A193-N195 PolarHBondContact O-ND2 2.56Å; A193-D217 PolarHBondContact N-O 3.12Å; A193-T219 CarbonylContact C-O 3.52Å; A193-T219 VanDerWaalsContact CA-O 3.22Å; A193-T219 WeakPolarHBondContact CA-O 3.46Å; A193-T219 WeakPolarHBondContact CB-O 3.2Å
194V97.9Very high98.2Very high75 Ų7534.4 Ų34.446%0.45519%0.188SC..THydrogen-bonded Turntrans61.119.9176.1-161.70000113.2T167 A168 T219T167-V194 HydrophobicContact CG2-CG2 4.25Å; A168-V194 HydrophobicContact CB-CB 4.23Å; A168-V194 HydrophobicContact CB-CG1 4.39Å; V194-T219 PolarHBondContact N-O 3.2Å
195N97.6Very high98.2Very high2 Ų236.7 Ų36.71%0.01120%0.199CC..  trans-98.5103.2171.7-68.8-69.5000111.2L166 C169 V192 A193 N197 I198L166-N195 PolarHBondContact O-ND2 3.36Å; C169-N195 PolarHBondContact N-OD1 3.02Å; C169-N195 PolarHBondContact O-OD1 3.37Å; V192-N195 VanDerWaalsContact C-ND2 3.3Å; V192-N195 WeakPolarHBondContact O-CB 3.43Å; V192-N195 PolarHBondContact O-N 2.8Å; V192-N195 PolarHBondContact O-ND2 3Å; A193-N195 PolarHBondContact O-N 2.88Å; A193-N195 VanDerWaalsContact O-N 3.11Å; A193-N195 PolarHBondContact O-ND2 2.56Å; N195-N197 PolarHBondContact O-N 2.79Å; N195-I198 HydrophobicContact CB-CB 4.39Å; N195-I198 HydrophobicContact CB-CG1 3.53Å; N195-I198 PolarHBondContact O-N 2.81Å
196A94.7Very high98.3Very high56 Ų5632.4 Ų32.446%0.46318%0.176SC..THydrogen-bonded Turntrans-67-16.3-175.300000115R223A196-R223 WeakPolarHBondContact O-CD 3.49Å
197N96.1Very high98.3Very high59 Ų5926.9 Ų26.932%0.31615%0.152SC..THydrogen-bonded Turntrans-95.90.6-179.4-66-43.8000113.7L172 K173 N195L172-N197 WeakPolarHBondContact O-CB 3.25Å; K173-N197 HydrophobicContact CG-CB 4.14Å; N195-N197 PolarHBondContact O-N 2.79Å
198I98.1Very high98.3Very high1 Ų130.9 Ų30.91%0.00517%0.169CC..  trans-83.8127.5175.5-64.4-55.3000109.3I177 V192 N195 V203 R223 V224I177-I198 HydrophobicContact CG1-CD1 3.57Å; V192-I198 HydrophobicContact CB-CG1 4.33Å; V192-I198 HydrophobicContact CG2-CG2 4.06Å; N195-I198 HydrophobicContact CB-CB 4.39Å; N195-I198 HydrophobicContact CB-CG1 3.53Å; N195-I198 PolarHBondContact O-N 2.81Å; I198-V203 HydrophobicContact CG2-CG2 4.28Å; I198-R223 WeakPolarHBondContact O-CB 3.44Å; I198-V224 HydrophobicContact CG2-CG2 4.5Å
199T98.6Very high98.3Very high30 Ų3029 Ų2918%0.18417%0.166CC..BIsolated β-bridgetrans-123.7-179.6-178.976.80000110.7D174 V201 S202 R223D174-T199 PolarHBondContact OD1-N 2.9Å; D174-T199 WeakPolarHBondContact OD2-CB 3.5Å; D174-T199 WeakPolarHBondContact OD2-CG2 3.35Å; D174-T199 PolarHBondContact OD2-OG1 2.94Å; T199-V201 PolarHBondContact O-N 2.62Å; T199-V201 VanDerWaalsContact O-N 3.1Å; T199-V201 PolarHBondContact OG1-N 3.42Å; T199-S202 PolarHBondContact O-N 3.03Å; T199-S202 PolarHBondContact O-OG 3.01Å; T199-R223 HydrophobicContact CG2-CB 3.81Å
200D98.7Very high98.3Very high22 Ų2228 Ų2812%0.11816%0.158CC..Hα-helixtrans-51.4-32173.9-67.3-28.6000113.2S202 V203 E204 V224 R225 S228D200-S202 PolarHBondContact O-N 2.88Å; D200-V203 PolarHBondContact O-N 2.85Å; D200-E204 WeakPolarHBondContact O-CB 3.39Å; D200-E204 VanDerWaalsContact O-CG 3.28Å; D200-E204 WeakPolarHBondContact O-CG 3.21Å; D200-E204 PolarHBondContact O-N 3.29Å; D200-V224 WeakPolarHBondContact OD1-CA 3.22Å; D200-R225 PolarHBondContact OD1-N 2.93Å; D200-R225 VanDerWaalsContact OD2-CB 3.3Å; D200-R225 WeakPolarHBondContact OD2-CB 3.29Å; D200-R225 WeakPolarHBondContact OD2-CG 3.27Å; D200-S228 VanDerWaalsContact OD1-CB 3.22Å; D200-S228 WeakPolarHBondContact OD1-CB 3.38Å; D200-S228 PolarHBondContact OD1-OG 3.02Å
201V98.7Very high98.2Very high88 Ų8835.3 Ų35.353%0.53319%0.186SC..Hα-helixtrans-55.3-51-177.9176.40000112.1D174 T199 E205D174-V201 HydrophobicContact CB-CB 4.38Å; D174-V201 HydrophobicContact CB-CG1 4.38Å; T199-V201 PolarHBondContact O-N 2.62Å; T199-V201 VanDerWaalsContact O-N 3.1Å; T199-V201 PolarHBondContact OG1-N 3.42Å; V201-E205 WeakPolarHBondContact O-CB 3.21Å; V201-E205 PolarHBondContact O-N 3Å; V201-E205 VanDerWaalsContact O-N 3.15Å
202S98.5Very high98.2Very high1 Ų137.6 Ų37.61%0.00720%0.196CC..Hα-helixtrans-76.9-33.1-178.3560000113.3D174 C178 T199 D200 E205 V206D174-S202 WeakPolarHBondContact OD1-CB 3.42Å; D174-S202 PolarHBondContact OD1-OG 3.28Å; C178-S202 VanDerWaalsContact SG-CA 3.58Å; T199-S202 PolarHBondContact O-N 3.03Å; T199-S202 PolarHBondContact O-OG 3.01Å; D200-S202 PolarHBondContact O-N 2.88Å; S202-E205 PolarHBondContact O-N 2.77Å; S202-V206 WeakPolarHBondContact O-CB 3.43Å; S202-V206 VanDerWaalsContact O-CG2 3.23Å; S202-V206 WeakPolarHBondContact O-CG2 3.4Å; S202-V206 PolarHBondContact O-N 3.47Å
203V98.8Very high98.2Very high3 Ų337.5 Ų37.52%0.01820%0.195CC..Hα-helixtrans-64.6-42.6176.2179.20000110.7I198 D200 V206 A207 L216 L218 V224 V232I198-V203 HydrophobicContact CG2-CG2 4.28Å; D200-V203 PolarHBondContact O-N 2.85Å; V203-V206 PolarHBondContact O-N 3.1Å; V203-A207 WeakPolarHBondContact O-CB 3.32Å; V203-A207 PolarHBondContact O-N 3.39Å; V203-L216 HydrophobicContact CG1-CD2 4.34Å; V203-L218 HydrophobicContact CG1-CD1 3.88Å; V203-L218 HydrophobicContact CG2-CD1 4.02Å; V203-L218 HydrophobicContact CG2-CD2 3.77Å; V203-V224 HydrophobicContact CG2-CG2 3.87Å; V203-V232 HydrophobicContact CG1-CG2 3.73Å
204E98.8Very high98.2Very high51 Ų5139.2 Ų39.224%0.23820%0.202CC..Hα-helixtrans-64.1-43174-74.5-172.9-152.500112.6D200 V206 A207 K208 T231D200-E204 WeakPolarHBondContact O-CB 3.39Å; D200-E204 VanDerWaalsContact O-CG 3.28Å; D200-E204 WeakPolarHBondContact O-CG 3.21Å; D200-E204 PolarHBondContact O-N 3.29Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-A207 PolarHBondContact O-N 3.15Å; E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 WeakPolarHBondContact O-CD 3.48Å; E204-K208 VanDerWaalsContact O-CG 3.27Å; E204-K208 WeakPolarHBondContact O-CG 3.35Å; E204-K208 PolarHBondContact O-N 2.99Å; E204-K208 IonicContact OE2-NZ 3.1Å; E204-K208 PolarHBondContact OE2-NZ 3.01Å; E204-T231 HydrophobicContact CB-CG2 4.14Å; E204-T231 HydrophobicContact CG-CG2 3.99Å
205E98.7Very high98.2Very high48 Ų4840.1 Ų40.122%0.22420%0.202CC..Hα-helixtrans-65.7-37178-168.174.5-12800111.3C178 S181 K182 V201 S202 N209C178-E205 HydrophobicContact CB-CB 4.36Å; C178-E205 HydrophobicContact CB-CG 3.96Å; S181-E205 WeakPolarHBondContact OG-CG 3.41Å; S181-E205 PolarHBondContact OG-O 3.25Å; K182-E205 WeakPolarHBondContact CE-OE1 3.05Å; K182-E205 WeakPolarHBondContact CE-OE2 3.26Å; K182-E205 IonicContact NZ-OE1 2.69Å; K182-E205 IonicContact NZ-OE2 3.29Å; K182-E205 PolarHBondContact NZ-OE2 3.3Å; V201-E205 WeakPolarHBondContact O-CB 3.21Å; V201-E205 PolarHBondContact O-N 3Å; V201-E205 VanDerWaalsContact O-N 3.15Å; S202-E205 PolarHBondContact O-N 2.77Å; E205-N209 PolarHBondContact O-N 2.74Å; E205-N209 PolarHBondContact O-ND2 2.86Å; E205-N209 PolarHBondContact OE1-ND2 2.95Å
206V98.9Very high98.3Very high2 Ų240.2 Ų40.21%0.01220%0.202CC..Hα-helixtrans-60.5-50.5170.1166.80000110.3I177 L190 S202 V203 E204 K208 N209 C210 L213I177-V206 HydrophobicContact CG2-CG2 3.7Å; L190-V206 HydrophobicContact CD2-CB 4.3Å; L190-V206 HydrophobicContact CD2-CG1 3.81Å; L190-V206 HydrophobicContact CD2-CG2 3.54Å; S202-V206 WeakPolarHBondContact O-CB 3.43Å; S202-V206 VanDerWaalsContact O-CG2 3.23Å; S202-V206 WeakPolarHBondContact O-CG2 3.4Å; S202-V206 PolarHBondContact O-N 3.47Å; V203-V206 PolarHBondContact O-N 3.1Å; E204-V206 VanDerWaalsContact C-N 3.32Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 2.84Å; V206-N209 PolarHBondContact O-N 3.21Å; V206-C210 HydrophobicContact CG1-CB 4.35Å; V206-C210 VanDerWaalsContact O-CB 3.24Å; V206-C210 WeakPolarHBondContact O-CB 3.21Å; V206-C210 PolarHBondContact O-N 3.12Å; V206-L213 HydrophobicContact CG1-CD2 3.85Å
207A98.7Very high98.5Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-58.8-44-178.900000112.4V203 E204 T231 V232 Y235V203-A207 WeakPolarHBondContact O-CB 3.32Å; V203-A207 PolarHBondContact O-N 3.39Å; E204-A207 PolarHBondContact O-N 3.15Å; A207-T231 HydrophobicContact CB-CG2 3.95Å; A207-V232 HydrophobicContact CB-CB 4.44Å; A207-V232 HydrophobicContact CB-CG2 3.88Å; A207-Y235 VanDerWaalsContact O-CB 3.26Å; A207-Y235 WeakPolarHBondContact O-CB 3.34Å
208K98.6Very high98.6Very high84 Ų8436.1 Ų36.137%0.36517%0.172SC..Hα-helixtrans-68.2-35-177.2-71.5164.8-173.7159.90113.1E204 V206 T231 Y235E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 WeakPolarHBondContact O-CD 3.48Å; E204-K208 VanDerWaalsContact O-CG 3.27Å; E204-K208 WeakPolarHBondContact O-CG 3.35Å; E204-K208 PolarHBondContact O-N 2.99Å; E204-K208 IonicContact OE2-NZ 3.1Å; E204-K208 PolarHBondContact OE2-NZ 3.01Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 2.84Å; K208-T231 HydrophobicContact CG-CG2 4.28Å; K208-Y235 HydrophobicContact CG-CD2 4.39Å; K208-Y235 HydrophobicContact CG-CG 4.36Å
209N98.5Very high98.6Very high46 Ų4637.6 Ų37.625%0.24618%0.181CC..Hα-helixtrans-96.9-37.8-175.9-65.5-59.3000114S181 L185 E205 V206 R211S181-N209 VanDerWaalsContact O-CB 3.3Å; S181-N209 WeakPolarHBondContact O-CB 3.35Å; L185-N209 HydrophobicContact CD2-CB 4.09Å; E205-N209 PolarHBondContact O-N 2.74Å; E205-N209 PolarHBondContact O-ND2 2.86Å; E205-N209 PolarHBondContact OE1-ND2 2.95Å; V206-N209 PolarHBondContact O-N 3.21Å; N209-R211 PolarHBondContact O-N 3.43Å
210C98.2Very high98.6Very high0 Ų037 Ų370%018%0.181CC..  trans-93.265-172.9-58.30000111.7M187 V206 E212 L213M187-C210 HydrophobicContact CB-CB 4.19Å; V206-C210 HydrophobicContact CG1-CB 4.35Å; V206-C210 VanDerWaalsContact O-CB 3.24Å; V206-C210 WeakPolarHBondContact O-CB 3.21Å; V206-C210 PolarHBondContact O-N 3.12Å; C210-E212 PolarHBondContact O-N 3.48Å; C210-L213 HydrophobicContact CB-CB 4.3Å; C210-L213 WeakPolarHBondContact O-CB 3.32Å; C210-L213 PolarHBondContact O-N 3.36Å
211R97.6Very high98.5Very high158 Ų15835.9 Ų35.960%0.59618%0.175SC*.THydrogen-bonded Turntrans-64-16.3-176.6-63.4-176.5179.2176.2-2.4114.8N209 L213N209-R211 PolarHBondContact O-N 3.43Å; R211-L213 VanDerWaalsContact C-N 3.31Å
212E98.2Very high98.4Very high58 Ų5835.9 Ų35.927%0.27117%0.172SC..THydrogen-bonded Turntrans-87.65.2174.9-62.2-64.6123.100113.3M187 R188 C210 E214 K238M187-E212 CarbonylContact O-C 3.57Å; M187-E212 VanDerWaalsContact O-C 3.31Å; R188-E212 HydrophobicContact CG-CB 4.48Å; R188-E212 IonicContact NH2-OE2 3.57Å; C210-E212 PolarHBondContact O-N 3.48Å; E212-E214 PolarHBondContact O-N 3.24Å; E212-K238 IonicContact OE1-NZ 2.67Å; E212-K238 PolarHBondContact OE1-NZ 3.2Å; E212-K238 IonicContact OE2-NZ 3.98Å; E212-K238 PolarHBondContact OE2-NZ 3.4Å
213L98.8Very high98.4Very high0 Ų042.4 Ų42.40%020%0.196CC..  trans-63.8122.2-177.4-164.972.5000111.1M187 L190 V206 C210 R211 L216 K238 L239M187-L213 HydrophobicContact CG-CD1 4.22Å; M187-L213 PolarHBondContact O-N 2.86Å; L190-L213 HydrophobicContact CB-CD1 4.18Å; V206-L213 HydrophobicContact CG1-CD2 3.85Å; C210-L213 HydrophobicContact CB-CB 4.3Å; C210-L213 WeakPolarHBondContact O-CB 3.32Å; C210-L213 PolarHBondContact O-N 3.36Å; R211-L213 VanDerWaalsContact C-N 3.31Å; L213-L216 HydrophobicContact CD2-CB 3.98Å; L213-L216 HydrophobicContact CD2-CD1 4.34Å; L213-L216 HydrophobicContact CD2-CD2 4.19Å; L213-L216 HydrophobicContact CD2-CG 4.39Å; L213-K238 CarbonylContact O-C 3.53Å; L213-K238 VanDerWaalsContact O-C 3.25Å; L213-L239 HydrophobicContact CD2-CD1 4.18Å; L213-L239 HydrophobicContact CG-CD1 4.12Å; L213-L239 VanDerWaalsContact O-CA 3.28Å; L213-L239 WeakPolarHBondContact O-CA 3.36Å; L213-L239 PolarHBondContact O-N 3.3Å; L213-L239 VanDerWaalsContact O-N 3.1Å
214E98.9Very high98.4Very high40 Ų4042.3 Ų42.319%0.18720%0.195CC..  trans-106.7-33179.5-70.7166.8-171.300111.1R188 E212 Q240 S241R188-E214 IonicContact CZ-OE1 2.67Å; R188-E214 IonicContact NE-OE1 2.68Å; R188-E214 IonicContact NH1-OE1 3.81Å; R188-E214 PolarHBondContact NH1-OE1 3.4Å; R188-E214 IonicContact NH1-OE2 3.58Å; R188-E214 CarbonylContact O-C 3.35Å; R188-E214 WeakPolarHBondContact O-CA 3.43Å; R188-E214 PolarHBondContact O-N 3.36Å; E212-E214 PolarHBondContact O-N 3.24Å; E214-Q240 WeakPolarHBondContact O-CA 3.36Å; E214-Q240 PolarHBondContact O-N 3.42Å; E214-S241 PolarHBondContact O-N 2.85Å
215Q98.9Very high98.3Very high94 Ų9446.8 Ų46.844%0.43921%0.21SC..EExtended strand (participates in β ladder)trans-134.5128.1-176.8-60177.4-2.100110.5R188 S189 L190 S241R188-Q215 PolarHBondContact O-N 3.11Å; S189-Q215 WeakPolarHBondContact CA-O 3.45Å; S189-Q215 PolarHBondContact OG-OE1 3.39Å; L190-Q215 PolarHBondContact N-O 3.16Å; Q215-S241 WeakPolarHBondContact CA-O 3.42Å
216L98.9Very high98.3Very high3 Ų346 Ų462%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-131.3120.5175.4-178.157.2000110.1L190 V203 L213 L218 V232 L239 S241 L242 K243L190-L216 HydrophobicContact CB-CD1 4.15Å; L190-L216 HydrophobicContact CD2-CD1 4.12Å; L190-L216 HydrophobicContact CG-CD1 4.24Å; L190-L216 WeakPolarHBondContact O-CA 3.25Å; V203-L216 HydrophobicContact CG1-CD2 4.34Å; L213-L216 HydrophobicContact CD2-CB 3.98Å; L213-L216 HydrophobicContact CD2-CD1 4.34Å; L213-L216 HydrophobicContact CD2-CD2 4.19Å; L213-L216 HydrophobicContact CD2-CG 4.39Å; L216-L218 HydrophobicContact CD1-CD2 3.91Å; L216-L218 HydrophobicContact CD1-CG 4.3Å; L216-L218 HydrophobicContact CD2-CD1 4.04Å; L216-L218 HydrophobicContact CD2-CD2 4.44Å; L216-L218 HydrophobicContact CD2-CG 4.26Å; L216-L218 HydrophobicContact CG-CD1 4.27Å; L216-L218 HydrophobicContact CG-CD2 4.11Å; L216-L218 HydrophobicContact CG-CG 3.94Å; L216-V232 HydrophobicContact CD2-CG1 4.25Å; L216-V232 HydrophobicContact CD2-CG2 3.77Å; L216-L239 HydrophobicContact CB-CD1 4.12Å; L216-S241 PolarHBondContact N-O 3.16Å; L216-L242 HydrophobicContact CB-CD1 4.07Å; L216-L242 HydrophobicContact CD2-CD1 4.07Å; L216-L242 HydrophobicContact CG-CD1 4.09Å; L216-L242 WeakPolarHBondContact O-CA 3.39Å; L216-K243 PolarHBondContact O-N 3.2Å
217D98.9Very high98.3Very high29 Ų2950.2 Ų50.216%0.15523%0.23CC..EExtended strand (participates in β ladder)trans-112.4110.8177-167.4-14.4000111.1L190 V192 A193 T219 K243L190-D217 PolarHBondContact O-N 3Å; V192-D217 PolarHBondContact N-O 2.95Å; A193-D217 PolarHBondContact N-O 3.12Å; D217-T219 WeakPolarHBondContact OD1-CB 3.46Å; D217-T219 PolarHBondContact OD1-N 3.39Å; D217-T219 PolarHBondContact OD1-OG1 3.3Å; D217-K243 HydrophobicContact CB-CB 4.25Å; D217-K243 HydrophobicContact CB-CD 4.18Å; D217-K243 WeakPolarHBondContact OD1-CB 3.41Å; D217-K243 WeakPolarHBondContact OD2-CD 2.88Å; D217-K243 IonicContact OD2-NZ 3.67Å
218L98.8Very high98.3Very high1 Ų150.2 Ų50.21%0.00523%0.23CC..  trans-113.516.2178-54.8177000111.2V192 V203 L216 G220 C221 V224 I229 L242 K243 V244 C247V192-L218 HydrophobicContact CG2-CD2 3.49Å; V192-L218 VanDerWaalsContact CG2-CD2 3.49Å; V203-L218 HydrophobicContact CG1-CD1 3.88Å; V203-L218 HydrophobicContact CG2-CD1 4.02Å; V203-L218 HydrophobicContact CG2-CD2 3.77Å; L216-L218 HydrophobicContact CD1-CD2 3.91Å; L216-L218 HydrophobicContact CD1-CG 4.3Å; L216-L218 HydrophobicContact CD2-CD1 4.04Å; L216-L218 HydrophobicContact CD2-CD2 4.44Å; L216-L218 HydrophobicContact CD2-CG 4.26Å; L216-L218 HydrophobicContact CG-CD1 4.27Å; L216-L218 HydrophobicContact CG-CD2 4.11Å; L216-L218 HydrophobicContact CG-CG 3.94Å; L218-G220 PolarHBondContact O-N 2.7Å; L218-C221 HydrophobicContact CB-CB 4.31Å; L218-C221 VanDerWaalsContact O-CB 3.22Å; L218-C221 WeakPolarHBondContact O-CB 3.29Å; L218-C221 PolarHBondContact O-N 3.02Å; L218-C221 PolarHBondContact O-SG 2.88Å; L218-C221 VanDerWaalsContact O-SG 3.4Å; L218-V224 HydrophobicContact CD1-CG1 4.01Å; L218-I229 HydrophobicContact CD1-CD1 3.87Å; L218-L242 HydrophobicContact CD1-CD1 4.3Å; L218-K243 CarbonylContact C-O 3.6Å; L218-K243 WeakPolarHBondContact CA-O 3.37Å; L218-K243 WeakPolarHBondContact CB-O 3.46Å; L218-K243 PolarHBondContact N-O 2.83Å; L218-V244 HydrophobicContact CB-CG1 4.34Å; L218-V244 HydrophobicContact CD1-CG1 4.36Å; L218-C247 PolarHBondContact O-SG 3.06Å
219T98.6Very high98.3Very high31 Ų3146.2 Ų46.219%0.1921%0.212CC..THydrogen-bonded Turntrans-51.7125.3-176.3-57.50000110.8A193 V194 D217 C221 N245A193-T219 CarbonylContact C-O 3.52Å; A193-T219 VanDerWaalsContact CA-O 3.22Å; A193-T219 WeakPolarHBondContact CA-O 3.46Å; A193-T219 WeakPolarHBondContact CB-O 3.2Å; V194-T219 PolarHBondContact N-O 3.2Å; D217-T219 WeakPolarHBondContact OD1-CB 3.46Å; D217-T219 PolarHBondContact OD1-N 3.39Å; D217-T219 PolarHBondContact OD1-OG1 3.3Å; T219-C221 VanDerWaalsContact C-N 3.28Å; T219-C221 PolarHBondContact O-N 3.33Å; T219-N245 CarbonylContact C-O 3.56Å; T219-N245 WeakPolarHBondContact CA-O 3.39Å; T219-N245 HydrophobicContact CG2-CB 4.13Å
220G97.5Very high98.3Very high17 Ų1749.1 Ų49.118%0.17522%0.22CC..THydrogen-bonded Turntrans71.411.9-179.700000115.9L218 L222 N245L218-G220 PolarHBondContact O-N 2.7Å; G220-L222 VanDerWaalsContact C-N 3.33Å; G220-L222 PolarHBondContact O-N 3.31Å; G220-N245 PolarHBondContact N-O 3.09Å
221C97.7Very high98.3Very high0 Ų050 Ų500%023%0.225CC..  trans-76.881.2170-67.80000110.7V192 L218 T219 R223 V224V192-C221 PolarHBondContact O-SG 2.95Å; L218-C221 HydrophobicContact CB-CB 4.31Å; L218-C221 VanDerWaalsContact O-CB 3.22Å; L218-C221 WeakPolarHBondContact O-CB 3.29Å; L218-C221 PolarHBondContact O-N 3.02Å; L218-C221 PolarHBondContact O-SG 2.88Å; L218-C221 VanDerWaalsContact O-SG 3.4Å; T219-C221 VanDerWaalsContact C-N 3.28Å; T219-C221 PolarHBondContact O-N 3.33Å; C221-R223 PolarHBondContact O-N 3.01Å; C221-V224 HydrophobicContact CB-CB 4.24Å; C221-V224 HydrophobicContact CB-CG2 3.59Å; C221-V224 WeakPolarHBondContact O-CB 3.47Å; C221-V224 PolarHBondContact O-N 3.29Å
222L96.2Very high98.4Very high88 Ų8842.4 Ų42.446%0.46120%0.197SC..THydrogen-bonded Turntrans-59.3-16.7-170.2-54.4-178.8000115.7G220 H246 N249G220-L222 VanDerWaalsContact C-N 3.33Å; G220-L222 PolarHBondContact O-N 3.31Å; L222-H246 WeakPolarHBondContact CD2-O 3.5Å; L222-N249 PolarHBondContact O-ND2 2.82Å
223R97.7Very high98.4Very high138 Ų13840.3 Ų40.352%0.52119%0.189SC..BIsolated β-bridgetrans-102.12.1-179-61.5-179174175.60.1113.8A196 I198 T199 C221A196-R223 WeakPolarHBondContact O-CD 3.49Å; I198-R223 WeakPolarHBondContact O-CB 3.44Å; T199-R223 HydrophobicContact CG2-CB 3.81Å; C221-R223 PolarHBondContact O-N 3.01Å
224V98.4Very high98.4Very high0 Ų046.6 Ų46.60%022%0.218CC..  trans-79.5137.8170.6170.90000109.5I198 D200 V203 L218 C221 I229 V250I198-V224 HydrophobicContact CG2-CG2 4.5Å; D200-V224 WeakPolarHBondContact OD1-CA 3.22Å; V203-V224 HydrophobicContact CG2-CG2 3.87Å; L218-V224 HydrophobicContact CD1-CG1 4.01Å; C221-V224 HydrophobicContact CB-CB 4.24Å; C221-V224 HydrophobicContact CB-CG2 3.59Å; C221-V224 WeakPolarHBondContact O-CB 3.47Å; C221-V224 PolarHBondContact O-N 3.29Å; V224-I229 HydrophobicContact CG1-CD1 4.01Å; V224-I229 HydrophobicContact CG1-CG1 4.41Å; V224-V250 HydrophobicContact CG1-CG2 4.03Å
225R98.5Very high98.4Very high146 Ų14648.8 Ų48.855%0.55123%0.225SC*.BIsolated β-bridgetrans-133.4177.8-176.1-47.7179.1171.9176.8-2.2110.9D200 D227 S228 N249D200-R225 PolarHBondContact OD1-N 2.93Å; D200-R225 VanDerWaalsContact OD2-CB 3.3Å; D200-R225 WeakPolarHBondContact OD2-CB 3.29Å; D200-R225 WeakPolarHBondContact OD2-CG 3.27Å; R225-D227 VanDerWaalsContact C-N 3.26Å; R225-D227 PolarHBondContact O-N 3.04Å; R225-D227 VanDerWaalsContact O-N 3.16Å; R225-S228 PolarHBondContact O-N 3.46Å; R225-S228 PolarHBondContact O-OG 3.35Å; R225-S228 VanDerWaalsContact O-OG 3.14Å; R225-N249 HydrophobicContact CB-CB 4.21Å; R225-N249 HydrophobicContact CG-CB 3.85Å
226N98.6Very high98.3Very high31 Ų3144.3 Ų44.317%0.16620%0.204CC..Hα-helixtrans-51.6-36.3-178.8-67.3-37.4000115I229 R230 N249 T251 S254N226-I229 PolarHBondContact O-N 2.85Å; N226-R230 WeakPolarHBondContact O-CG 3.49Å; N226-R230 PolarHBondContact O-N 2.83Å; N226-N249 PolarHBondContact N-O 2.72Å; N226-N249 PolarHBondContact OD1-O 3.5Å; N226-T251 PolarHBondContact ND2-OG1 2.77Å; N226-T251 PolarHBondContact OD1-N 2.86Å; N226-T251 PolarHBondContact OD1-OG1 2.92Å; N226-S254 WeakPolarHBondContact OD1-CB 3.45Å; N226-S254 PolarHBondContact OD1-OG 3.06Å
227D98.4Very high98.3Very high90 Ų9048.2 Ų48.248%0.48123%0.23SC..Hα-helixtrans-67.6-41.1-171.3-65.8-31.6000112.7R225 R230 T231R225-D227 VanDerWaalsContact C-N 3.26Å; R225-D227 PolarHBondContact O-N 3.04Å; R225-D227 VanDerWaalsContact O-N 3.16Å; D227-R230 PolarHBondContact O-N 3.34Å; D227-R230 IonicContact OD1-CZ 2.6Å; D227-R230 IonicContact OD1-NH1 3.64Å; D227-R230 PolarHBondContact OD1-NH1 3.32Å; D227-T231 PolarHBondContact O-N 2.99Å; D227-T231 PolarHBondContact O-OG1 3.45Å
228S98.5Very high98.2Very high0 Ų051.1 Ų51.10%024%0.242CC..Hα-helixtrans-69.6-35175.362.30000112.4D200 R225 T231 V232D200-S228 VanDerWaalsContact OD1-CB 3.22Å; D200-S228 WeakPolarHBondContact OD1-CB 3.38Å; D200-S228 PolarHBondContact OD1-OG 3.02Å; R225-S228 PolarHBondContact O-N 3.46Å; R225-S228 PolarHBondContact O-OG 3.35Å; R225-S228 VanDerWaalsContact O-OG 3.14Å; S228-T231 CarbonylContact O-C 3.46Å; S228-T231 WeakPolarHBondContact O-CB 3.47Å; S228-T231 PolarHBondContact O-N 3.12Å; S228-V232 WeakPolarHBondContact O-CG2 3.44Å; S228-V232 PolarHBondContact O-N 2.93Å
229I98.8Very high98.2Very high0 Ų051.5 Ų51.50%024%0.243CC..Hα-helixtrans-65.1-39.7174.4-56.7-52.1000111.4L218 V224 N226 T231 V232 A233 L242 V244 V250 S254 L255 L258L218-I229 HydrophobicContact CD1-CD1 3.87Å; V224-I229 HydrophobicContact CG1-CD1 4.01Å; V224-I229 HydrophobicContact CG1-CG1 4.41Å; N226-I229 PolarHBondContact O-N 2.85Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 PolarHBondContact O-N 3.19Å; I229-V232 WeakPolarHBondContact O-CB 3.44Å; I229-V232 PolarHBondContact O-N 3.25Å; I229-A233 PolarHBondContact O-N 3.41Å; I229-L242 HydrophobicContact CD1-CD2 4.27Å; I229-L242 HydrophobicContact CG2-CD2 4.09Å; I229-V244 HydrophobicContact CD1-CG1 3.91Å; I229-V250 HydrophobicContact CD1-CG2 4.42Å; I229-V250 HydrophobicContact CG1-CG1 4.03Å; I229-V250 HydrophobicContact CG1-CG2 3.86Å; I229-S254 WeakPolarHBondContact CG2-O 3.49Å; I229-L255 HydrophobicContact CG2-CD2 3.86Å; I229-L258 HydrophobicContact CG2-CD1 4.04Å
230R98.6Very high98.2Very high108 Ų10855.6 Ų55.641%0.40826%0.26SS..Hα-helixtrans-62.1-42172.2-70.5-178.4-164.3120.8-0.6111.3N226 D227 V232 A233 E234N226-R230 WeakPolarHBondContact O-CG 3.49Å; N226-R230 PolarHBondContact O-N 2.83Å; D227-R230 PolarHBondContact O-N 3.34Å; D227-R230 IonicContact OD1-CZ 2.6Å; D227-R230 IonicContact OD1-NH1 3.64Å; D227-R230 PolarHBondContact OD1-NH1 3.32Å; R230-V232 VanDerWaalsContact C-N 3.34Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-A233 WeakPolarHBondContact O-CB 3.45Å; R230-A233 PolarHBondContact O-N 2.87Å; R230-A233 VanDerWaalsContact O-N 3.14Å; R230-E234 PolarHBondContact O-N 2.85Å
231T98.8Very high98.3Very high17 Ų1755.7 Ų55.710%0.10426%0.258CS..Hα-helixtrans-61.7-42175.2-54.90000111.2E204 A207 K208 D227 S228 I229 A233 E234 Y235E204-T231 HydrophobicContact CB-CG2 4.14Å; E204-T231 HydrophobicContact CG-CG2 3.99Å; A207-T231 HydrophobicContact CB-CG2 3.95Å; K208-T231 HydrophobicContact CG-CG2 4.28Å; D227-T231 PolarHBondContact O-N 2.99Å; D227-T231 PolarHBondContact O-OG1 3.45Å; S228-T231 CarbonylContact O-C 3.46Å; S228-T231 WeakPolarHBondContact O-CB 3.47Å; S228-T231 PolarHBondContact O-N 3.12Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 PolarHBondContact O-N 3.19Å; T231-A233 VanDerWaalsContact C-N 3.34Å; T231-A233 PolarHBondContact O-N 3.15Å; T231-E234 PolarHBondContact O-N 3.22Å; T231-Y235 HydrophobicContact CG2-CD2 3.65Å; T231-Y235 HydrophobicContact CG2-CE2 4.13Å; T231-Y235 WeakPolarHBondContact O-CD2 3.46Å; T231-Y235 PolarHBondContact O-N 3.47Å
232V98.8Very high98.4Very high0 Ų055.7 Ų55.70%026%0.258CS..Hα-helixtrans-59.6-44.6172.5168.40000111V203 A207 L216 S228 I229 R230 E234 C236 L239V203-V232 HydrophobicContact CG1-CG2 3.73Å; A207-V232 HydrophobicContact CB-CB 4.44Å; A207-V232 HydrophobicContact CB-CG2 3.88Å; L216-V232 HydrophobicContact CD2-CG1 4.25Å; L216-V232 HydrophobicContact CD2-CG2 3.77Å; S228-V232 WeakPolarHBondContact O-CG2 3.44Å; S228-V232 PolarHBondContact O-N 2.93Å; I229-V232 WeakPolarHBondContact O-CB 3.44Å; I229-V232 PolarHBondContact O-N 3.25Å; R230-V232 VanDerWaalsContact C-N 3.34Å; R230-V232 PolarHBondContact O-N 2.93Å; V232-E234 VanDerWaalsContact C-N 3.27Å; V232-E234 PolarHBondContact O-N 3.39Å; V232-C236 HydrophobicContact CG1-CB 4.4Å; V232-C236 VanDerWaalsContact O-CB 3.23Å; V232-C236 WeakPolarHBondContact O-CB 3.41Å; V232-C236 PolarHBondContact O-N 3.14Å; V232-L239 HydrophobicContact CG1-CD2 3.48Å; V232-L239 VanDerWaalsContact CG1-CD2 3.48Å
233A98.4Very high98.5Very high13 Ų1355.7 Ų55.711%0.10726%0.255CS..Hα-helixtrans-63.1-32.5178.100000113.5I229 R230 T231 P257 L258 R261I229-A233 PolarHBondContact O-N 3.41Å; R230-A233 WeakPolarHBondContact O-CB 3.45Å; R230-A233 PolarHBondContact O-N 2.87Å; R230-A233 VanDerWaalsContact O-N 3.14Å; T231-A233 VanDerWaalsContact C-N 3.34Å; T231-A233 PolarHBondContact O-N 3.15Å; A233-P257 HydrophobicContact CB-CB 4.09Å; A233-L258 HydrophobicContact CB-CD1 4.41Å; A233-L258 HydrophobicContact CB-CD2 3.76Å; A233-L258 HydrophobicContact CB-CG 3.75Å; A233-R261 PolarHBondContact O-NH1 3.35Å
234E98.2Very high98.5Very high132 Ų13249.3 Ų49.362%0.61723%0.231SC*.Hα-helixtrans-80.1-47179.1-173.7-179.1164.700112.5R230 T231 V232R230-E234 PolarHBondContact O-N 2.85Å; T231-E234 PolarHBondContact O-N 3.22Å; V232-E234 VanDerWaalsContact C-N 3.27Å; V232-E234 PolarHBondContact O-N 3.39Å
235Y98.3Very high98.5Very high86 Ų8652 Ų5234%0.33725%0.246SC..Hα-helixtrans-99.6-11-168.1-68.3-86.4000115A207 K208 T231 P237A207-Y235 VanDerWaalsContact O-CB 3.26Å; A207-Y235 WeakPolarHBondContact O-CB 3.34Å; K208-Y235 HydrophobicContact CG-CD2 4.39Å; K208-Y235 HydrophobicContact CG-CG 4.36Å; T231-Y235 HydrophobicContact CG2-CD2 3.65Å; T231-Y235 HydrophobicContact CG2-CE2 4.13Å; T231-Y235 WeakPolarHBondContact O-CD2 3.46Å; T231-Y235 PolarHBondContact O-N 3.47Å; Y235-P237 VanDerWaalsContact C-CD 3.43Å; Y235-P237 WeakPolarHBondContact O-CD 3.27Å
236C98.4Very high98.3Very high0 Ų050.9 Ų50.90%025%0.246CC..  trans-108.677.8176.8-57.90000111.7V232 K238 L239 R261V232-C236 HydrophobicContact CG1-CB 4.4Å; V232-C236 VanDerWaalsContact O-CB 3.23Å; V232-C236 WeakPolarHBondContact O-CB 3.41Å; V232-C236 PolarHBondContact O-N 3.14Å; C236-K238 PolarHBondContact O-N 3.02Å; C236-L239 HydrophobicContact CB-CB 4.01Å; C236-L239 WeakPolarHBondContact O-CB 3.23Å; C236-L239 PolarHBondContact O-N 2.89Å; C236-R261 PolarHBondContact O-NH1 3.47Å; C236-R261 PolarHBondContact O-NH2 3.26Å
237P97.5Very high98.2Very high86 Ų8649.8 Ų49.856%0.55824%0.241SC*.THydrogen-bonded Turntrans-67.4-19.5-178.128.4-36.5000113.5Y235 R261Y235-P237 VanDerWaalsContact C-CD 3.43Å; Y235-P237 WeakPolarHBondContact O-CD 3.27Å; P237-R261 PolarHBondContact O-NH2 2.84Å
238K98.4Very high98Very high90 Ų9052.3 Ų52.339%0.39125%0.249SC..THydrogen-bonded Turntrans-96.41.5-179.3-69.7179.2170.5172.90114.2E212 L213 C236 Q240E212-K238 IonicContact OE1-NZ 2.67Å; E212-K238 PolarHBondContact OE1-NZ 3.2Å; E212-K238 IonicContact OE2-NZ 3.98Å; E212-K238 PolarHBondContact OE2-NZ 3.4Å; L213-K238 CarbonylContact O-C 3.53Å; L213-K238 VanDerWaalsContact O-C 3.25Å; C236-K238 PolarHBondContact O-N 3.02Å; K238-Q240 WeakPolarHBondContact O-CG 3.45Å; K238-Q240 PolarHBondContact O-N 3.49Å
239L98.8Very high97.9Very high8 Ų856.1 Ų56.14%0.04227%0.27CS..  trans-61.4128.1-178.5-161.975.5000110.7L213 L216 V232 C236 L242 L258 V263L213-L239 HydrophobicContact CD2-CD1 4.18Å; L213-L239 HydrophobicContact CG-CD1 4.12Å; L213-L239 VanDerWaalsContact O-CA 3.28Å; L213-L239 WeakPolarHBondContact O-CA 3.36Å; L213-L239 PolarHBondContact O-N 3.3Å; L213-L239 VanDerWaalsContact O-N 3.1Å; L216-L239 HydrophobicContact CB-CD1 4.12Å; V232-L239 HydrophobicContact CG1-CD2 3.48Å; V232-L239 VanDerWaalsContact CG1-CD2 3.48Å; C236-L239 HydrophobicContact CB-CB 4.01Å; C236-L239 WeakPolarHBondContact O-CB 3.23Å; C236-L239 PolarHBondContact O-N 2.89Å; L239-L242 HydrophobicContact CD2-CB 4.16Å; L239-L258 HydrophobicContact CD2-CD1 4.44Å; L239-L258 HydrophobicContact CD2-CD2 3.89Å; L239-V263 HydrophobicContact CD2-CG1 4.15Å; L239-V263 HydrophobicContact CG-CG1 4.32Å; L239-V263 VanDerWaalsContact O-CG2 3.26Å; L239-V263 WeakPolarHBondContact O-CG2 3.34Å
240Q98.7Very high97.8Very high117 Ų11757.2 Ų57.255%0.54728%0.276SS..  trans-114.3-30.7180-62.1176.11600111.5E214 K238 E264E214-Q240 WeakPolarHBondContact O-CA 3.36Å; E214-Q240 PolarHBondContact O-N 3.42Å; K238-Q240 WeakPolarHBondContact O-CG 3.45Å; K238-Q240 PolarHBondContact O-N 3.49Å; Q240-E264 WeakPolarHBondContact O-CB 3.46Å; Q240-E264 PolarHBondContact O-N 2.58Å
241S98.8Very high97.7Very high19 Ų1954.9 Ų54.913%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-138.1131.5-179.9-173.40000111.4E214 Q215 L216 E264E214-S241 PolarHBondContact O-N 2.85Å; Q215-S241 WeakPolarHBondContact CA-O 3.42Å; L216-S241 PolarHBondContact N-O 3.16Å; S241-E264 CarbonylContact C-O 3.6Å; S241-E264 WeakPolarHBondContact CA-O 3.34Å
242L98.8Very high97.5Very high0 Ų056 Ų560%028%0.278CS..EExtended strand (participates in β ladder)trans-128121.3172.1174.564.5000109.4L216 L218 I229 L239 V244 L255 L258 V263 E264 I265 D266L216-L242 HydrophobicContact CB-CD1 4.07Å; L216-L242 HydrophobicContact CD2-CD1 4.07Å; L216-L242 HydrophobicContact CG-CD1 4.09Å; L216-L242 WeakPolarHBondContact O-CA 3.39Å; L218-L242 HydrophobicContact CD1-CD1 4.3Å; I229-L242 HydrophobicContact CD1-CD2 4.27Å; I229-L242 HydrophobicContact CG2-CD2 4.09Å; L239-L242 HydrophobicContact CD2-CB 4.16Å; L242-V244 HydrophobicContact CD1-CG1 3.87Å; L242-V244 HydrophobicContact CD2-CG1 4.02Å; L242-V244 HydrophobicContact CG-CG1 3.83Å; L242-L255 HydrophobicContact CD2-CD2 3.93Å; L242-L258 HydrophobicContact CD2-CD1 3.35Å; L242-V263 HydrophobicContact CB-CG1 4.18Å; L242-E264 PolarHBondContact N-O 3.23Å; L242-I265 WeakPolarHBondContact O-CA 3.41Å; L242-D266 PolarHBondContact O-N 3.35Å
243K98.8Very high97.3Very high89 Ų8959.5 Ų59.539%0.38730%0.303SS..EExtended strand (participates in β ladder)trans-105.8122.7172.5-61.9176.2175.3179.90111.2L216 D217 L218 D266L216-K243 PolarHBondContact O-N 3.2Å; D217-K243 HydrophobicContact CB-CB 4.25Å; D217-K243 HydrophobicContact CB-CD 4.18Å; D217-K243 WeakPolarHBondContact OD1-CB 3.41Å; D217-K243 WeakPolarHBondContact OD2-CD 2.88Å; D217-K243 IonicContact OD2-NZ 3.67Å; L218-K243 CarbonylContact C-O 3.6Å; L218-K243 WeakPolarHBondContact CA-O 3.37Å; L218-K243 WeakPolarHBondContact CB-O 3.46Å; L218-K243 PolarHBondContact N-O 2.83Å; K243-D266 VanDerWaalsContact CA-CG 3.44Å; K243-D266 VanDerWaalsContact CA-OD1 3.32Å; K243-D266 WeakPolarHBondContact CA-OD1 3.22Å; K243-D266 WeakPolarHBondContact CA-OD2 3.43Å; K243-D266 HydrophobicContact CB-CB 4.39Å; K243-D266 WeakPolarHBondContact CB-OD2 3.44Å; K243-D266 HydrophobicContact CG-CB 4.08Å
244V98.4Very high97.3Very high3 Ų358.9 Ų58.92%0.01830%0.298CS..  trans-137.715.9-177.2-71.60000111.7L218 I229 L242 H246 C247 V250 L255 I265 D266 V267L218-V244 HydrophobicContact CB-CG1 4.34Å; L218-V244 HydrophobicContact CD1-CG1 4.36Å; I229-V244 HydrophobicContact CD1-CG1 3.91Å; L242-V244 HydrophobicContact CD1-CG1 3.87Å; L242-V244 HydrophobicContact CD2-CG1 4.02Å; L242-V244 HydrophobicContact CG-CG1 3.83Å; V244-H246 PolarHBondContact O-N 3.11Å; V244-C247 HydrophobicContact CB-CB 4.22Å; V244-C247 WeakPolarHBondContact O-CB 3.37Å; V244-C247 PolarHBondContact O-N 2.86Å; V244-C247 PolarHBondContact O-SG 3.17Å; V244-V250 HydrophobicContact CB-CG1 4.4Å; V244-V250 HydrophobicContact CG2-CG1 4.27Å; V244-L255 HydrophobicContact CG2-CD1 4.35Å; V244-L255 HydrophobicContact CG2-CD2 3.96Å; V244-I265 HydrophobicContact CG2-CG2 4.11Å; V244-D266 PolarHBondContact N-OD1 2.89Å; V244-D266 PolarHBondContact N-OD2 2.94Å; V244-V267 HydrophobicContact CG2-CG2 3.91Å
245N97.1Very high97.3Very high58 Ų5852.8 Ų52.831%0.3127%0.269SS..THydrogen-bonded Turntrans-51.7140171.4-90.1-44.7000111T219 G220 C247 D266T219-N245 CarbonylContact C-O 3.56Å; T219-N245 WeakPolarHBondContact CA-O 3.39Å; T219-N245 HydrophobicContact CG2-CB 4.13Å; G220-N245 PolarHBondContact N-O 3.09Å; N245-C247 PolarHBondContact O-N 3.23Å; N245-D266 WeakPolarHBondContact CB-OD2 3.49Å; N245-D266 VanDerWaalsContact CG-OD2 3.25Å; N245-D266 PolarHBondContact N-OD1 2.95Å; N245-D266 PolarHBondContact N-OD2 3.02Å; N245-D266 VanDerWaalsContact N-OD2 3.1Å; N245-D266 WeakPolarHBondContact ND2-CB 3.36Å; N245-D266 PolarHBondContact ND2-O 3.29Å; N245-D266 PolarHBondContact ND2-OD2 2.93Å; N245-D266 PolarHBondContact OD1-O 3.1Å
246H95.8Very high97.2Very high122 Ų12250.1 Ų50.157%0.56526%0.261SS*.THydrogen-bonded Turntrans62.312.7-175.1-45.8-69.2000115.5L222 V244 H248L222-H246 WeakPolarHBondContact CD2-O 3.5Å; V244-H246 PolarHBondContact O-N 3.11Å; H246-H248 PolarHBondContact O-N 2.96Å
247C96.4Very high97.1Very high7 Ų752.5 Ų52.55%0.04728%0.276CS..  trans-85.481.6165.6-63.80000110.4L218 V244 N245 N249 V250L218-C247 PolarHBondContact O-SG 3.06Å; V244-C247 HydrophobicContact CB-CB 4.22Å; V244-C247 WeakPolarHBondContact O-CB 3.37Å; V244-C247 PolarHBondContact O-N 2.86Å; V244-C247 PolarHBondContact O-SG 3.17Å; N245-C247 PolarHBondContact O-N 3.23Å; C247-N249 PolarHBondContact O-N 3.3Å; C247-V250 HydrophobicContact CB-CB 4.03Å; C247-V250 HydrophobicContact CB-CG2 3.64Å; C247-V250 WeakPolarHBondContact O-CB 3.48Å; C247-V250 PolarHBondContact O-N 3.18Å
248H93Very high97.1Very high144 Ų14448.4 Ų48.467%0.66725%0.25SC*.THydrogen-bonded Turntrans-61.4-16.6-169.6-57.1-54.8000116.1H246H246-H248 PolarHBondContact O-N 2.96Å
249N96.8Very high97Very high79 Ų7946.3 Ų46.342%0.42224%0.239SC..BIsolated β-bridgetrans-99.36.7177.3-62.7-56.3000113.4L222 R225 N226 C247L222-N249 PolarHBondContact O-ND2 2.82Å; R225-N249 HydrophobicContact CB-CB 4.21Å; R225-N249 HydrophobicContact CG-CB 3.85Å; N226-N249 PolarHBondContact N-O 2.72Å; N226-N249 PolarHBondContact OD1-O 3.5Å; C247-N249 PolarHBondContact O-N 3.3Å
250V97.6Very high96.9Very high23 Ų2352.6 Ų52.614%0.13927%0.267CS..  trans-96124.2172.4175.60000108.3V224 I229 V244 C247 L255V224-V250 HydrophobicContact CG1-CG2 4.03Å; I229-V250 HydrophobicContact CD1-CG2 4.42Å; I229-V250 HydrophobicContact CG1-CG1 4.03Å; I229-V250 HydrophobicContact CG1-CG2 3.86Å; V244-V250 HydrophobicContact CB-CG1 4.4Å; V244-V250 HydrophobicContact CG2-CG1 4.27Å; C247-V250 HydrophobicContact CB-CB 4.03Å; C247-V250 HydrophobicContact CB-CG2 3.64Å; C247-V250 WeakPolarHBondContact O-CB 3.48Å; C247-V250 PolarHBondContact O-N 3.18Å; V250-L255 HydrophobicContact CG1-CD1 4.15Å; V250-L255 HydrophobicContact CG1-CD2 3.87Å; V250-L255 HydrophobicContact CG1-CG 4Å
251T95.7Very high96.8Very high59 Ų5951.4 Ų51.436%0.36226%0.257SS..  trans-114.8157.5-176.966.60000110.4N226 S253 S254 L255N226-T251 PolarHBondContact ND2-OG1 2.77Å; N226-T251 PolarHBondContact OD1-N 2.86Å; N226-T251 PolarHBondContact OD1-OG1 2.92Å; T251-S253 PolarHBondContact O-N 3.35Å; T251-S253 PolarHBondContact OG1-OG 3.07Å; T251-S254 PolarHBondContact O-N 2.69Å; T251-S254 PolarHBondContact O-OG 3.46Å; T251-L255 PolarHBondContact O-N 2.96Å
252E94.9Very high96.7Very high40 Ų4057.7 Ų57.719%0.18729%0.289CS..Hα-helixtrans-53.5-30.5177179.362.9-165.500112.8S254 L255 D256 R259 P270 R273E252-S254 PolarHBondContact O-N 2.87Å; E252-L255 PolarHBondContact O-N 3.39Å; E252-D256 PolarHBondContact O-N 3.17Å; E252-R259 WeakPolarHBondContact OE1-CD 3.37Å; E252-R259 IonicContact OE1-NE 3.81Å; E252-R259 PolarHBondContact OE1-NE 3.13Å; E252-R259 IonicContact OE2-CZ 3.84Å; E252-R259 IonicContact OE2-NE 3.47Å; E252-R259 PolarHBondContact OE2-NE 3.47Å; E252-R259 IonicContact OE2-NH2 3.01Å; E252-R259 PolarHBondContact OE2-NH2 2.67Å; E252-P270 HydrophobicContact CB-CG 4.36Å; E252-P270 HydrophobicContact CG-CG 3.86Å; E252-R273 IonicContact OE1-NH1 2.99Å; E252-R273 PolarHBondContact OE1-NH1 2.77Å
253S95.2Very high96.7Very high74 Ų7458.1 Ų58.152%0.51729%0.292SS..Hα-helixtrans-59.1-31.617773.30000113.7T251T251-S253 PolarHBondContact O-N 3.35Å; T251-S253 PolarHBondContact OG1-OG 3.07Å
254S97.8Very high96.6Very high0 Ų060.6 Ų60.60%031%0.305CS..Hα-helixtrans-85-24.5176.668.10000113N226 I229 T251 E252 P257N226-S254 WeakPolarHBondContact OD1-CB 3.45Å; N226-S254 PolarHBondContact OD1-OG 3.06Å; I229-S254 WeakPolarHBondContact CG2-O 3.49Å; T251-S254 PolarHBondContact O-N 2.69Å; T251-S254 PolarHBondContact O-OG 3.46Å; E252-S254 PolarHBondContact O-N 2.87Å; S254-P257 WeakPolarHBondContact O-CD 3.43Å
255L98.1Very high96.6Very high4 Ų461.4 Ų61.42%0.02131%0.308CS..Hα-helixtrans-86.2-24.7-179.8-60173.1000112.4I229 L242 V244 V250 T251 E252 L258 R259 I265I229-L255 HydrophobicContact CG2-CD2 3.86Å; L242-L255 HydrophobicContact CD2-CD2 3.93Å; V244-L255 HydrophobicContact CG2-CD1 4.35Å; V244-L255 HydrophobicContact CG2-CD2 3.96Å; V250-L255 HydrophobicContact CG1-CD1 4.15Å; V250-L255 HydrophobicContact CG1-CD2 3.87Å; V250-L255 HydrophobicContact CG1-CG 4Å; T251-L255 PolarHBondContact O-N 2.96Å; E252-L255 PolarHBondContact O-N 3.39Å; L255-L258 WeakPolarHBondContact O-CB 3.22Å; L255-L258 PolarHBondContact O-N 3.03Å; L255-R259 PolarHBondContact O-N 2.89Å; L255-I265 HydrophobicContact CB-CD1 3.89Å; L255-I265 HydrophobicContact CD1-CG2 4.21Å; L255-I265 HydrophobicContact CD2-CD1 4.07Å; L255-I265 HydrophobicContact CD2-CG2 4.17Å; L255-I265 HydrophobicContact CG-CD1 4.46Å
256D96Very high96.6Very high30 Ų3060.9 Ų60.916%0.1631%0.306CS..Hα-helixtrans-49.2-48.1-178.7172.759.6000114.4E252 L258 R259 K260 R273E252-D256 PolarHBondContact O-N 3.17Å; D256-L258 VanDerWaalsContact C-N 3.25Å; D256-L258 PolarHBondContact O-N 2.91Å; D256-R259 PolarHBondContact O-N 3Å; D256-K260 WeakPolarHBondContact O-CG 3.22Å; D256-K260 PolarHBondContact O-N 3.46Å; D256-K260 WeakPolarHBondContact OD1-CE 3.27Å; D256-K260 IonicContact OD1-NZ 3.41Å; D256-K260 VanDerWaalsContact OD2-CE 3.27Å; D256-K260 WeakPolarHBondContact OD2-CE 3.4Å; D256-K260 IonicContact OD2-NZ 2.63Å; D256-K260 PolarHBondContact OD2-NZ 2.76Å; D256-R273 IonicContact OD1-CZ 3.98Å; D256-R273 IonicContact OD1-NH1 3.94Å; D256-R273 PolarHBondContact OD1-NH1 2.6Å; D256-R273 IonicContact OD1-NH2 3.68Å; D256-R273 PolarHBondContact OD1-NH2 3.4Å
257P96.7Very high96.6Very high51 Ų5157.3 Ų57.333%0.33129%0.293SS..Hα-helixtrans-62-32.7178.6-22.735.3000113.3A233 S254 R261A233-P257 HydrophobicContact CB-CB 4.09Å; S254-P257 WeakPolarHBondContact O-CD 3.43Å; P257-R261 WeakPolarHBondContact O-CG 3.37Å; P257-R261 PolarHBondContact O-N 3.19Å
258L98.2Very high96.3Very high0 Ų065.3 Ų65.30%033%0.329CS..Hα-helixtrans-74.1-42.5178-69.1172000111.1I229 A233 L239 L242 L255 D256 K260 R261 N262 V263 I265I229-L258 HydrophobicContact CG2-CD1 4.04Å; A233-L258 HydrophobicContact CB-CD1 4.41Å; A233-L258 HydrophobicContact CB-CD2 3.76Å; A233-L258 HydrophobicContact CB-CG 3.75Å; L239-L258 HydrophobicContact CD2-CD1 4.44Å; L239-L258 HydrophobicContact CD2-CD2 3.89Å; L242-L258 HydrophobicContact CD2-CD1 3.35Å; L255-L258 WeakPolarHBondContact O-CB 3.22Å; L255-L258 PolarHBondContact O-N 3.03Å; D256-L258 VanDerWaalsContact C-N 3.25Å; D256-L258 PolarHBondContact O-N 2.91Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.17Å; L258-R261 CarbonylContact O-C 3.54Å; L258-R261 WeakPolarHBondContact O-CA 3.5Å; L258-R261 WeakPolarHBondContact O-CB 3.19Å; L258-R261 PolarHBondContact O-N 3.08Å; L258-N262 PolarHBondContact O-N 2.96Å; L258-V263 HydrophobicContact CB-CB 3.99Å; L258-V263 HydrophobicContact CB-CG1 4.36Å; L258-V263 HydrophobicContact CB-CG2 4.07Å; L258-V263 HydrophobicContact CD2-CG2 3.9Å; L258-V263 WeakPolarHBondContact O-CB 3.28Å; L258-V263 WeakPolarHBondContact O-CG2 3.22Å; L258-V263 PolarHBondContact O-N 3.31Å; L258-V263 VanDerWaalsContact O-N 3.08Å; L258-I265 HydrophobicContact CB-CD1 3.91Å
259R95.8Very high95.9Very high45 Ų4560.7 Ų60.717%0.1731%0.312CS..Hα-helixtrans-60.9-41.4175.1-65-166.2-165.2-80.32.2112.3E252 L255 D256 R261 N262 I265 V267E252-R259 WeakPolarHBondContact OE1-CD 3.37Å; E252-R259 IonicContact OE1-NE 3.81Å; E252-R259 PolarHBondContact OE1-NE 3.13Å; E252-R259 IonicContact OE2-CZ 3.84Å; E252-R259 IonicContact OE2-NE 3.47Å; E252-R259 PolarHBondContact OE2-NE 3.47Å; E252-R259 IonicContact OE2-NH2 3.01Å; E252-R259 PolarHBondContact OE2-NH2 2.67Å; L255-R259 PolarHBondContact O-N 2.89Å; D256-R259 PolarHBondContact O-N 3Å; R259-R261 PolarHBondContact O-N 3.1Å; R259-R261 VanDerWaalsContact O-N 3.15Å; R259-N262 WeakPolarHBondContact O-CA 3.34Å; R259-N262 PolarHBondContact O-N 2.88Å; R259-I265 HydrophobicContact CG-CD1 3.61Å; R259-V267 PolarHBondContact NH1-O 2.63Å; R259-V267 VanDerWaalsContact NH1-O 3.15Å; R259-V267 PolarHBondContact NH2-O 3.37Å
260K96.3Very high95.1Very high141 Ų14160 Ų6061%0.61331%0.312SS*.THydrogen-bonded Turntrans-59.3-23.7174.8-75.4170.6174.4163.90113.3D256 L258D256-K260 WeakPolarHBondContact O-CG 3.22Å; D256-K260 PolarHBondContact O-N 3.46Å; D256-K260 WeakPolarHBondContact OD1-CE 3.27Å; D256-K260 IonicContact OD1-NZ 3.41Å; D256-K260 VanDerWaalsContact OD2-CE 3.27Å; D256-K260 WeakPolarHBondContact OD2-CE 3.4Å; D256-K260 IonicContact OD2-NZ 2.63Å; D256-K260 PolarHBondContact OD2-NZ 2.76Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.17Å
261R96.5Very high94.1Very high92 Ų9265.8 Ų65.835%0.34734%0.341SS..THydrogen-bonded Turntrans-92.98.2174.9-69.4172.352.3-153.8-18.4113.2A233 C236 P237 P257 L258 R259 V263A233-R261 PolarHBondContact O-NH1 3.35Å; C236-R261 PolarHBondContact O-NH1 3.47Å; C236-R261 PolarHBondContact O-NH2 3.26Å; P237-R261 PolarHBondContact O-NH2 2.84Å; P257-R261 WeakPolarHBondContact O-CG 3.37Å; P257-R261 PolarHBondContact O-N 3.19Å; L258-R261 CarbonylContact O-C 3.54Å; L258-R261 WeakPolarHBondContact O-CA 3.5Å; L258-R261 WeakPolarHBondContact O-CB 3.19Å; L258-R261 PolarHBondContact O-N 3.08Å; R259-R261 PolarHBondContact O-N 3.1Å; R259-R261 VanDerWaalsContact O-N 3.15Å; R261-V263 VanDerWaalsContact C-N 3.26Å; R261-V263 HydrophobicContact CB-CG2 4.27Å; R261-V263 PolarHBondContact O-N 3.37Å
262N96.6Very high92.4Very high150 Ų15070.8 Ų70.880%0.80236%0.361SS*.THydrogen-bonded Turntrans59.531.4-175.2-55.3-49.2000114L258 R259L258-N262 PolarHBondContact O-N 2.96Å; R259-N262 WeakPolarHBondContact O-CA 3.34Å; R259-N262 PolarHBondContact O-N 2.88Å
263V98.3Very high90.5Very high9 Ų972.8 Ų72.86%0.05537%0.366CS..  trans-69.9130.3168.9177.40000108.5L239 L242 L258 R261 I265L239-V263 HydrophobicContact CD2-CG1 4.15Å; L239-V263 HydrophobicContact CG-CG1 4.32Å; L239-V263 VanDerWaalsContact O-CG2 3.26Å; L239-V263 WeakPolarHBondContact O-CG2 3.34Å; L242-V263 HydrophobicContact CB-CG1 4.18Å; L258-V263 HydrophobicContact CB-CB 3.99Å; L258-V263 HydrophobicContact CB-CG1 4.36Å; L258-V263 HydrophobicContact CB-CG2 4.07Å; L258-V263 HydrophobicContact CD2-CG2 3.9Å; L258-V263 WeakPolarHBondContact O-CB 3.28Å; L258-V263 WeakPolarHBondContact O-CG2 3.22Å; L258-V263 PolarHBondContact O-N 3.31Å; L258-V263 VanDerWaalsContact O-N 3.08Å; R261-V263 VanDerWaalsContact C-N 3.26Å; R261-V263 HydrophobicContact CB-CG2 4.27Å; R261-V263 PolarHBondContact O-N 3.37Å; V263-I265 HydrophobicContact CG1-CG1 4.25Å; V263-I265 PolarHBondContact O-N 3.39Å
264E98.2Very high88.6Confident142 Ų14271.3 Ų71.366%0.66436%0.358SS*.EExtended strand (participates in β ladder)trans-68.6120.9171.6-173.1-175.3176.100109.3Q240 S241 L242Q240-E264 WeakPolarHBondContact O-CB 3.46Å; Q240-E264 PolarHBondContact O-N 2.58Å; S241-E264 CarbonylContact C-O 3.6Å; S241-E264 WeakPolarHBondContact CA-O 3.34Å; L242-E264 PolarHBondContact N-O 3.23Å
265I98.2Very high86.4Confident19 Ų1976.5 Ų76.510%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-123.3129.5179.4-53.2178.7000108.4L242 V244 L255 L258 R259 V263 V267L242-I265 WeakPolarHBondContact O-CA 3.41Å; V244-I265 HydrophobicContact CG2-CG2 4.11Å; L255-I265 HydrophobicContact CB-CD1 3.89Å; L255-I265 HydrophobicContact CD1-CG2 4.21Å; L255-I265 HydrophobicContact CD2-CD1 4.07Å; L255-I265 HydrophobicContact CD2-CG2 4.17Å; L255-I265 HydrophobicContact CG-CD1 4.46Å; L258-I265 HydrophobicContact CB-CD1 3.91Å; R259-I265 HydrophobicContact CG-CD1 3.61Å; V263-I265 HydrophobicContact CG1-CG1 4.25Å; V263-I265 PolarHBondContact O-N 3.39Å; I265-V267 HydrophobicContact CG2-CB 4.39Å; I265-V267 PolarHBondContact O-N 2.96Å
266D97.4Very high84.5Confident48 Ų4879.8 Ų79.826%0.25741%0.406SS..SBendtrans-75.60.6-174.870.9-24000115L242 K243 V244 N245L242-D266 PolarHBondContact O-N 3.35Å; K243-D266 VanDerWaalsContact CA-CG 3.44Å; K243-D266 VanDerWaalsContact CA-OD1 3.32Å; K243-D266 WeakPolarHBondContact CA-OD1 3.22Å; K243-D266 WeakPolarHBondContact CA-OD2 3.43Å; K243-D266 HydrophobicContact CB-CB 4.39Å; K243-D266 WeakPolarHBondContact CB-OD2 3.44Å; K243-D266 HydrophobicContact CG-CB 4.08Å; V244-D266 PolarHBondContact N-OD1 2.89Å; V244-D266 PolarHBondContact N-OD2 2.94Å; N245-D266 WeakPolarHBondContact CB-OD2 3.49Å; N245-D266 VanDerWaalsContact CG-OD2 3.25Å; N245-D266 PolarHBondContact N-OD1 2.95Å; N245-D266 PolarHBondContact N-OD2 3.02Å; N245-D266 VanDerWaalsContact N-OD2 3.1Å; N245-D266 WeakPolarHBondContact ND2-CB 3.36Å; N245-D266 PolarHBondContact ND2-O 3.29Å; N245-D266 PolarHBondContact ND2-OD2 2.93Å; N245-D266 PolarHBondContact OD1-O 3.1Å
267V95Very high82.6Confident47 Ų4783.5 Ų83.529%0.28543%0.425SS..SBendtrans-105.3127.5172.3179.60000108.5V244 R259 I265V244-V267 HydrophobicContact CG2-CG2 3.91Å; R259-V267 PolarHBondContact NH1-O 2.63Å; R259-V267 VanDerWaalsContact NH1-O 3.15Å; R259-V267 PolarHBondContact NH2-O 3.37Å; I265-V267 HydrophobicContact CG2-CB 4.39Å; I265-V267 PolarHBondContact O-N 2.96Å
268E89.5Confident80.5Confident174 Ų17486.1 Ų86.181%0.81344%0.436SS*.PPolyproline II helixtrans-63.7141.6177.4-69.8-174.1170.600111.9
269P84.6Confident78.3Confident47 Ų4791.7 Ų91.731%0.30546%0.462SS..PPolyproline II helixtrans-68.6151.3173.629.8-33.8000110.8R273P269-R273 HydrophobicContact CB-CB 4.49Å
270P80.4Confident76.3Confident65 Ų6595.4 Ų95.442%0.42249%0.485SS..PPolyproline II helixtrans-59.6142.1176.922.4-31.1000111.9E252 Q272 R273E252-P270 HydrophobicContact CB-CG 4.36Å; E252-P270 HydrophobicContact CG-CG 3.86Å; P270-Q272 PolarHBondContact O-N 2.59Å; P270-R273 WeakPolarHBondContact O-CB 3.27Å; P270-R273 PolarHBondContact O-N 3.14Å
271L76.2Confident74.4Confident144 Ų14494.4 Ų94.475%0.75449%0.49SS*.Hα-helixtrans-50.9-32.1-171.4-69.7171.6000115.3R273 A274 L275L271-R273 PolarHBondContact O-N 3.48Å; L271-R273 VanDerWaalsContact O-N 3.13Å; L271-A274 PolarHBondContact O-N 3.25Å; L271-A274 VanDerWaalsContact O-N 3.11Å; L271-L275 PolarHBondContact O-N 3.17Å
272Q60.1Low72.2Confident165 Ų16595.1 Ų95.177%0.77150%0.504SS*.Hα-helixtrans-58.1-27.5177.3-77.1166.3-16.900112.2P270 V276P270-Q272 PolarHBondContact O-N 2.59Å; Q272-V276 WeakPolarHBondContact O-CG2 3.34Å; Q272-V276 PolarHBondContact O-N 3.46Å
273R55.2Low69.8Low82 Ų8290.8 Ų90.831%0.30950%0.495SS..Hα-helixtrans-82.6-33.3176.8-124.2175.5-177.8171.50.5114E252 D256 P269 P270 L271 L275 V276 L277E252-R273 IonicContact OE1-NH1 2.99Å; E252-R273 PolarHBondContact OE1-NH1 2.77Å; D256-R273 IonicContact OD1-CZ 3.98Å; D256-R273 IonicContact OD1-NH1 3.94Å; D256-R273 PolarHBondContact OD1-NH1 2.6Å; D256-R273 IonicContact OD1-NH2 3.68Å; D256-R273 PolarHBondContact OD1-NH2 3.4Å; P269-R273 HydrophobicContact CB-CB 4.49Å; P270-R273 WeakPolarHBondContact O-CB 3.27Å; P270-R273 PolarHBondContact O-N 3.14Å; L271-R273 PolarHBondContact O-N 3.48Å; L271-R273 VanDerWaalsContact O-N 3.13Å; R273-L275 PolarHBondContact O-N 3.33Å; R273-V276 PolarHBondContact O-N 3.47Å; R273-L277 WeakPolarHBondContact O-CG 3.48Å; R273-L277 PolarHBondContact O-N 3.01Å
274A54.8Low67.2Low42 Ų4298.8 Ų98.835%0.34753%0.53SS..Hα-helixtrans-59.7-38.8175.500000110.6L271 L278L271-A274 PolarHBondContact O-N 3.25Å; L271-A274 VanDerWaalsContact O-N 3.11Å; A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 WeakPolarHBondContact O-CD1 3.39Å; A274-L278 VanDerWaalsContact O-CG 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.43Å; A274-L278 PolarHBondContact O-N 2.94Å; A274-L278 VanDerWaalsContact O-N 3.1Å
275L52.7Low64.4Low110 Ų11096 Ų9658%0.57653%0.531SS*.Hα-helixtrans-68.4-41.8175.1-81.2155.9000113.4L271 R273 L278 Q279L271-L275 PolarHBondContact O-N 3.17Å; R273-L275 PolarHBondContact O-N 3.33Å; L275-L278 PolarHBondContact O-N 3.21Å; L275-Q279 WeakPolarHBondContact O-CG 3.45Å; L275-Q279 PolarHBondContact O-N 3.16Å
276V58.6Low61.8Low73 Ų73100.3 Ų100.344%0.44256%0.56SS.*Hα-helixtrans-67-42.6178.5174.70000111.2Q272 R273 L278 Q279 D280Q272-V276 WeakPolarHBondContact O-CG2 3.34Å; Q272-V276 PolarHBondContact O-N 3.46Å; R273-V276 PolarHBondContact O-N 3.47Å; V276-L278 VanDerWaalsContact C-N 3.26Å; V276-L278 PolarHBondContact O-N 2.95Å; V276-Q279 PolarHBondContact O-N 3.01Å; V276-Q279 VanDerWaalsContact O-N 3.12Å; V276-D280 PolarHBondContact O-N 2.84Å
277L54.2Low59.3Low108 Ų108107.8 Ų107.857%0.56559%0.591SS**Hα-helixtrans-63.3-32.6174.5-70.4172.4000112.1R273 V281R273-L277 WeakPolarHBondContact O-CG 3.48Å; R273-L277 PolarHBondContact O-N 3.01Å; L277-V281 VanDerWaalsContact O-CG2 3.31Å; L277-V281 WeakPolarHBondContact O-CG2 3.44Å; L277-V281 PolarHBondContact O-N 3.19Å
278L52.9Low56.8Low106 Ų106112.8 Ų112.856%0.55561%0.614SS**Hα-helixtrans-72-37171.9-75.2167.2000112.4A274 L275 V276 V281 V282A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 WeakPolarHBondContact O-CD1 3.39Å; A274-L278 VanDerWaalsContact O-CG 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.43Å; A274-L278 PolarHBondContact O-N 2.94Å; A274-L278 VanDerWaalsContact O-N 3.1Å; L275-L278 PolarHBondContact O-N 3.21Å; V276-L278 VanDerWaalsContact C-N 3.26Å; V276-L278 PolarHBondContact O-N 2.95Å; L278-V281 PolarHBondContact O-N 2.84Å; L278-V282 WeakPolarHBondContact O-CB 3.43Å; L278-V282 WeakPolarHBondContact O-CG2 3.3Å; L278-V282 PolarHBondContact O-N 3.01Å
279Q51.8Low54.3Low117 Ų117111.5 Ų111.555%0.54761%0.613SS.*Hα-helixtrans-68.4-34.7177.6-78.4179.6-17.300112.7L275 V276 V281 V282L275-Q279 WeakPolarHBondContact O-CG 3.45Å; L275-Q279 PolarHBondContact O-N 3.16Å; V276-Q279 PolarHBondContact O-N 3.01Å; V276-Q279 VanDerWaalsContact O-N 3.12Å; Q279-V281 VanDerWaalsContact C-N 3.26Å; Q279-V281 PolarHBondContact O-N 2.78Å; Q279-V282 CarbonylContact O-C 3.56Å; Q279-V282 PolarHBondContact O-N 3.05Å; Q279-V282 VanDerWaalsContact O-O 3.04Å
280D54.2Low52.3Low123 Ų123116.2 Ų116.266%0.65864%0.635SS**Hα-helixtrans-69.9-24.8173.8-73.2-26000112.3V276V276-D280 PolarHBondContact O-N 2.84Å
281V57.6Low50.2Low120 Ų120121.7 Ų121.773%0.72766%0.655SS**Hα-helixtrans-84.5-36174.2175.20000111.7L277 L278 Q279 G283L277-V281 VanDerWaalsContact O-CG2 3.31Å; L277-V281 WeakPolarHBondContact O-CG2 3.44Å; L277-V281 PolarHBondContact O-N 3.19Å; L278-V281 PolarHBondContact O-N 2.84Å; Q279-V281 VanDerWaalsContact C-N 3.26Å; Q279-V281 PolarHBondContact O-N 2.78Å; V281-G283 PolarHBondContact O-N 2.79Å
282V48.8Very low48.9Very low106 Ų106125.7 Ų125.764%0.64268%0.675SS**SBendtrans-96.277.3178-171.20000108L278 Q279 F284L278-V282 WeakPolarHBondContact O-CB 3.43Å; L278-V282 WeakPolarHBondContact O-CG2 3.3Å; L278-V282 PolarHBondContact O-N 3.01Å; Q279-V282 CarbonylContact O-C 3.56Å; Q279-V282 PolarHBondContact O-N 3.05Å; Q279-V282 VanDerWaalsContact O-O 3.04Å; V282-F284 PolarHBondContact O-N 2.95Å
283G47.8Very low48.3Very low59 Ų59123.8 Ų123.861%0.60867%0.67SS**  trans-39.5126.6179.600000112.7V281 A285V281-G283 PolarHBondContact O-N 2.79Å; G283-A285 PolarHBondContact O-N 3.49Å
284F42.9Very low48Very low177 Ų177125.9 Ų125.978%0.77669%0.689SS**  trans-29.2103.1176.4-79.8-97.9000113.1V282 P286V282-F284 PolarHBondContact O-N 2.95Å; F284-P286 VanDerWaalsContact O-CD 3.32Å; F284-P286 WeakPolarHBondContact O-CD 3.42Å
285A39.2Very low47.6Very low84 Ų84130.6 Ų130.669%0.69471%0.708SS**  trans-79.4111.815700000106.5G283 F287G283-A285 PolarHBondContact O-N 3.49Å; A285-F287 PolarHBondContact O-N 3.26Å
286P44.4Very low47.3Very low109 Ų109131.8 Ų131.871%0.70872%0.716SS**  trans-66.5127.1-178.226.2-30.3000108.8F284 I288F284-P286 VanDerWaalsContact O-CD 3.32Å; F284-P286 WeakPolarHBondContact O-CD 3.42Å; P286-I288 PolarHBondContact O-N 2.59Å
287F44.5Very low46.6Very low205 Ų205135.5 Ų135.590%0.89973%0.733SS**  trans-50.2108.7176.5-64.3-89.2000110.2A285 N289A285-F287 PolarHBondContact O-N 3.26Å; F287-N289 PolarHBondContact O-N 2.99Å; F287-N289 VanDerWaalsContact O-N 3.16Å
288I41.5Very low46.1Very low152 Ų152137.3 Ų137.378%0.77974%0.744SS**  trans-69.5110.6170.3-64.8174.5000106.7P286 L290P286-I288 PolarHBondContact O-N 2.59Å; I288-L290 PolarHBondContact O-N 3.47Å; I288-L290 VanDerWaalsContact O-N 3.12Å
289N38.7Very low45.6Very low148 Ų148139.6 Ų139.679%0.79176%0.758SS**  trans-7299177.4-147.9-5.4000108.2F287 Q291F287-N289 PolarHBondContact O-N 2.99Å; F287-N289 VanDerWaalsContact O-N 3.16Å; N289-Q291 PolarHBondContact O-N 2.71Å; N289-Q291 VanDerWaalsContact O-N 3.16Å
290L42.6Very low45.1Very low146 Ų146141.3 Ų141.376%0.76477%0.774SS**  trans-79.293.4174.6-79.7162.2000108.8I288I288-L290 PolarHBondContact O-N 3.47Å; I288-L290 VanDerWaalsContact O-N 3.12Å
291Q35.7Very low44.4Very low179 Ų179142.8 Ų142.884%0.83678%0.783SS**  trans-78.8112.5156.6-75.3-176.6-3100108.4N289N289-Q291 PolarHBondContact O-N 2.71Å; N289-Q291 VanDerWaalsContact O-N 3.16Å
292I48.7Very low43.2Very low229 Ų229144.9 Ų144.9100%1.17479%0.789SS**  trans-135.10151-58.4-179.9000106.6

Retrieved 292 of 292 residues in 1375.4 ms (Link to these results)

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