A0A3Q0KTJ7_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KTJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 526 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M57.7Low73.8Confident184 Ų18482.6 Ų82.691%0.90642%0.415SS*.  0-41.80-158.4-172.8-70.200112.7S4 K5M1-S4 PolarHBondContact O-OG 3.03Å; M1-K5 PolarHBondContact O-N 3.16Å
2I61.5Low75Confident113 Ų11375.9 Ų75.958%0.57938%0.382SS*.Hα-helixtrans-66.2-48.5177.9-63.4169.4000111.2S4 K5 V6I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 3.27Å; I2-K5 WeakPolarHBondContact O-CB 3.28Å; I2-K5 PolarHBondContact O-N 3.26Å; I2-V6 HydrophobicContact CG2-CG2 4.06Å; I2-V6 WeakPolarHBondContact O-CG2 3.43Å; I2-V6 PolarHBondContact O-N 3.37Å
3E62.6Low76.1Confident82 Ų8278.3 Ų78.338%0.38339%0.388SS..Hα-helixtrans-59.6-36.1-177.8-60.8-170.9168.800114R7 I57 T59E3-R7 WeakPolarHBondContact O-CG 3.43Å; E3-R7 PolarHBondContact O-N 2.97Å; E3-R7 IonicContact OE2-NH1 3.11Å; E3-I57 HydrophobicContact CG-CG2 4.14Å; E3-T59 PolarHBondContact OE1-OG1 3.11Å
4S70.8Confident77.2Confident78 Ų7879.6 Ų79.655%0.54539%0.393SS..Hα-helixtrans-69.2-34.5176.149.90000112.2M1 I2M1-S4 PolarHBondContact O-OG 3.03Å; I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 3.27Å
5K74.7Confident78.2Confident117 Ų11774.3 Ų74.351%0.50937%0.367SS..Hα-helixtrans-69.3-45.7175-73.3-175.3177.5-171.80111.4M1 I2 R7 S8 Y11M1-K5 PolarHBondContact O-N 3.16Å; I2-K5 WeakPolarHBondContact O-CB 3.28Å; I2-K5 PolarHBondContact O-N 3.26Å; K5-R7 PolarHBondContact O-N 3.31Å; K5-R7 VanDerWaalsContact O-N 3.12Å; K5-S8 VanDerWaalsContact O-CB 3.26Å; K5-S8 WeakPolarHBondContact O-CB 3.42Å; K5-S8 PolarHBondContact O-N 2.99Å; K5-Y11 HydrophobicContact CB-CD2 4.31Å; K5-Y11 WeakPolarHBondContact O-CB 3.38Å
6V72.3Confident79.1Confident2 Ų273.5 Ų73.51%0.01237%0.369CS..Hα-helixtrans-60.2-24.8179.4179.20000112.8I2 Y11 S35 M55 I57I2-V6 HydrophobicContact CG2-CG2 4.06Å; I2-V6 WeakPolarHBondContact O-CG2 3.43Å; I2-V6 PolarHBondContact O-N 3.37Å; V6-Y11 HydrophobicContact CB-CD1 4.21Å; V6-Y11 HydrophobicContact CB-CE1 4.24Å; V6-Y11 HydrophobicContact CG1-CD1 4.4Å; V6-Y11 HydrophobicContact CG1-CE1 4.41Å; V6-Y11 HydrophobicContact CG2-CD1 4.09Å; V6-Y11 HydrophobicContact CG2-CE1 3.64Å; V6-S35 PolarHBondContact O-OG 3.1Å; V6-M55 HydrophobicContact CG1-CE 4.14Å; V6-M55 HydrophobicContact CG1-CG 4.5Å; V6-M55 HydrophobicContact CG1-SD 4.23Å; V6-I57 HydrophobicContact CG1-CG1 4.29Å
7R77.9Confident79.9Confident67 Ų6774.7 Ų74.725%0.25337%0.373SS..THydrogen-bonded Turntrans-83.6-8.2175.3-69.6179.3-178.9124.23.7114E3 K5 Q30 T32E3-R7 WeakPolarHBondContact O-CG 3.43Å; E3-R7 PolarHBondContact O-N 2.97Å; E3-R7 IonicContact OE2-NH1 3.11Å; K5-R7 PolarHBondContact O-N 3.31Å; K5-R7 VanDerWaalsContact O-N 3.12Å; R7-Q30 PolarHBondContact O-NE2 3.3Å; R7-T32 PolarHBondContact NH2-O 3.06Å
8S80.7Confident80.6Confident59 Ų5970.6 Ų70.641%0.41335%0.352SS..SBendtrans-80.1134.2175.1179.50000110.8K5 Q10 Y11K5-S8 VanDerWaalsContact O-CB 3.26Å; K5-S8 WeakPolarHBondContact O-CB 3.42Å; K5-S8 PolarHBondContact O-N 2.99Å; S8-Q10 PolarHBondContact O-N 3.42Å; S8-Q10 VanDerWaalsContact O-N 3.13Å; S8-Q10 PolarHBondContact OG-N 3.13Å; S8-Y11 WeakPolarHBondContact O-CB 3.48Å; S8-Y11 PolarHBondContact O-N 2.82Å
9L81.2Confident81.2Confident45 Ų4568.2 Ų68.224%0.23634%0.342CS..G310 helixtrans-50-36.7168.9-74.5178000111.7Y11 I12 Q28 L37L9-Y11 PolarHBondContact O-N 3.15Å; L9-I12 WeakPolarHBondContact O-CG2 3.44Å; L9-I12 PolarHBondContact O-N 2.8Å; L9-Q28 HydrophobicContact CD2-CB 3.87Å; L9-Q28 HydrophobicContact CD2-CG 4.09Å; L9-Q28 HydrophobicContact CG-CG 4.4Å; L9-L37 HydrophobicContact CD2-CD2 3.29Å
10Q85Confident81.8Confident130 Ų13070.1 Ų70.161%0.60735%0.353SS*.G310 helixtrans-64.9-25.4-176.6-166.558.628.800113.1S8 I12 F13S8-Q10 PolarHBondContact O-N 3.42Å; S8-Q10 VanDerWaalsContact O-N 3.13Å; S8-Q10 PolarHBondContact OG-N 3.13Å; Q10-I12 PolarHBondContact O-N 3.04Å; Q10-F13 WeakPolarHBondContact O-CD2 3.3Å; Q10-F13 PolarHBondContact O-N 2.91Å
11Y87.4Confident82.3Confident32 Ų3269.8 Ų69.813%0.12535%0.352CS..G310 helixtrans-68.1-25.4-176.1-170.3-109.7000112.9K5 V6 S8 L9 F13 E14 F15 M55 H93K5-Y11 HydrophobicContact CB-CD2 4.31Å; K5-Y11 WeakPolarHBondContact O-CB 3.38Å; V6-Y11 HydrophobicContact CB-CD1 4.21Å; V6-Y11 HydrophobicContact CB-CE1 4.24Å; V6-Y11 HydrophobicContact CG1-CD1 4.4Å; V6-Y11 HydrophobicContact CG1-CE1 4.41Å; V6-Y11 HydrophobicContact CG2-CD1 4.09Å; V6-Y11 HydrophobicContact CG2-CE1 3.64Å; S8-Y11 WeakPolarHBondContact O-CB 3.48Å; S8-Y11 PolarHBondContact O-N 2.82Å; L9-Y11 PolarHBondContact O-N 3.15Å; Y11-F13 PolarHBondContact O-N 3.48Å; Y11-E14 VanDerWaalsContact CD2-CD 3.48Å; Y11-E14 HydrophobicContact CD2-CG 4.28Å; Y11-E14 WeakPolarHBondContact CD2-OE1 3.12Å; Y11-E14 HydrophobicContact CE2-CG 4.45Å; Y11-E14 WeakPolarHBondContact CE2-OE1 3.49Å; Y11-E14 WeakPolarHBondContact CE2-OE2 3.5Å; Y11-E14 WeakPolarHBondContact O-CB 3.15Å; Y11-E14 PolarHBondContact O-N 3.09Å; Y11-E14 VanDerWaalsContact O-N 3.13Å; Y11-F15 HydrophobicContact CD1-CE2 4.02Å; Y11-F15 AromaticContact CE1-CE2 3.71Å; Y11-F15 HydrophobicContact CE1-CE2 3.71Å; Y11-F15 AromaticContact CE1-CZ 3.92Å; Y11-F15 HydrophobicContact CE1-CZ 3.92Å; Y11-F15 WeakPolarHBondContact O-CE2 3.36Å; Y11-M55 HydrophobicContact CD1-CE 3.51Å; Y11-M55 HydrophobicContact CD1-SD 4.23Å; Y11-M55 HydrophobicContact CE1-CE 3.41Å; Y11-M55 VanDerWaalsContact CE1-CE 3.41Å; Y11-H93 AromaticContact CE1-CE1 3.54Å; Y11-H93 AromaticContact CE1-NE2 3.82Å; Y11-H93 AromaticContact CZ-NE2 3.91Å; Y11-H93 PolarHBondContact OH-NE2 3.02Å; Y11-H93 VanDerWaalsContact OH-NE2 3.1Å
12I87.8Confident84.1Confident2 Ų261.8 Ų61.81%0.0131%0.312CS..G310 helixtrans-63.4-26.7177.3-160.461.9000112.3L9 Q10 E14 F15 I18 V24 L37 L53 M55 F95L9-I12 WeakPolarHBondContact O-CG2 3.44Å; L9-I12 PolarHBondContact O-N 2.8Å; Q10-I12 PolarHBondContact O-N 3.04Å; I12-E14 PolarHBondContact O-N 3.47Å; I12-F15 PolarHBondContact O-N 3.47Å; I12-I18 HydrophobicContact CD1-CG2 4.1Å; I12-I18 HydrophobicContact CG1-CG2 4.13Å; I12-V24 HydrophobicContact CG1-CG2 4.19Å; I12-V24 HydrophobicContact CG2-CB 4.4Å; I12-V24 HydrophobicContact CG2-CG1 4.22Å; I12-V24 HydrophobicContact CG2-CG2 3.91Å; I12-L37 HydrophobicContact CB-CD1 3.92Å; I12-L37 HydrophobicContact CD1-CD1 3.81Å; I12-L37 HydrophobicContact CG1-CD1 3.73Å; I12-L37 HydrophobicContact CG2-CD1 4.46Å; I12-L53 HydrophobicContact CD1-CD2 4.2Å; I12-M55 HydrophobicContact CD1-SD 4.23Å; I12-F95 HydrophobicContact CD1-CD1 4.46Å; I12-F95 HydrophobicContact CD1-CE1 3.67Å; I12-F95 HydrophobicContact CD1-CZ 4.45Å
13F89.7Confident85.6Confident107 Ų10760.7 Ų60.747%0.46931%0.308SS..G310 helixtrans-74.1-6.2179.3-61.1-80.3000113.2Q10 Y11 F15 T19Q10-F13 WeakPolarHBondContact O-CD2 3.3Å; Q10-F13 PolarHBondContact O-N 2.91Å; Y11-F13 PolarHBondContact O-N 3.48Å; F13-F15 PolarHBondContact O-N 3.49Å; F13-T19 HydrophobicContact CD1-CG2 3.73Å; F13-T19 HydrophobicContact CE1-CG2 4.31Å; F13-T19 HydrophobicContact CG-CG2 4.42Å
14E91Very high86.9Confident96 Ų9658.6 Ų58.645%0.44930%0.301SS..G310 helixtrans-76.6-3169-62.2-173.1-166.600113.2Y11 I12 P16Y11-E14 VanDerWaalsContact CD2-CD 3.48Å; Y11-E14 HydrophobicContact CD2-CG 4.28Å; Y11-E14 WeakPolarHBondContact CD2-OE1 3.12Å; Y11-E14 HydrophobicContact CE2-CG 4.45Å; Y11-E14 WeakPolarHBondContact CE2-OE1 3.49Å; Y11-E14 WeakPolarHBondContact CE2-OE2 3.5Å; Y11-E14 WeakPolarHBondContact O-CB 3.15Å; Y11-E14 PolarHBondContact O-N 3.09Å; Y11-E14 VanDerWaalsContact O-N 3.13Å; I12-E14 PolarHBondContact O-N 3.47Å; E14-P16 WeakPolarHBondContact O-CD 3.45Å
15F92.6Very high87.8Confident1 Ų156.1 Ų56.10%0.00428%0.283CS..  trans-119.183.6-178.6-55.4-88.3000111.1Y11 I12 F13 Q17 I18 T19 M55 I90 H93 F95Y11-F15 HydrophobicContact CD1-CE2 4.02Å; Y11-F15 AromaticContact CE1-CE2 3.71Å; Y11-F15 HydrophobicContact CE1-CE2 3.71Å; Y11-F15 AromaticContact CE1-CZ 3.92Å; Y11-F15 HydrophobicContact CE1-CZ 3.92Å; Y11-F15 WeakPolarHBondContact O-CE2 3.36Å; I12-F15 PolarHBondContact O-N 3.47Å; F13-F15 PolarHBondContact O-N 3.49Å; F15-Q17 PolarHBondContact O-N 3.08Å; F15-Q17 VanDerWaalsContact O-N 3.11Å; F15-I18 HydrophobicContact CB-CB 4.25Å; F15-I18 HydrophobicContact CB-CG1 4.07Å; F15-I18 PolarHBondContact O-N 3.21Å; F15-T19 PolarHBondContact O-N 3.34Å; F15-T19 VanDerWaalsContact O-N 3.14Å; F15-T19 PolarHBondContact O-OG1 3.34Å; F15-M55 HydrophobicContact CD2-CE 4.43Å; F15-M55 HydrophobicContact CE2-CE 3.59Å; F15-M55 HydrophobicContact CZ-CE 3.86Å; F15-I90 HydrophobicContact CD1-CB 4.41Å; F15-I90 HydrophobicContact CD1-CG2 3.93Å; F15-H93 HydrophobicContact CE1-CB 4.26Å; F15-H93 AromaticContact CE1-CD2 3.55Å; F15-H93 HydrophobicContact CZ-CB 4.41Å; F15-H93 AromaticContact CZ-CD2 3.34Å; F15-H93 WeakPolarHBondContact CZ-CD2 3.38Å; F15-H93 AromaticContact CZ-CG 3.79Å; F15-H93 AromaticContact CZ-NE2 3.6Å; F15-F95 HydrophobicContact CD1-CE2 4.38Å; F15-F95 HydrophobicContact CD1-CZ 4.12Å; F15-F95 HydrophobicContact CD2-CZ 4.21Å; F15-F95 HydrophobicContact CE1-CZ 4.26Å; F15-F95 HydrophobicContact CE2-CZ 4.37Å; F15-F95 HydrophobicContact CG-CZ 4.1Å; F15-F95 HydrophobicContact CZ-CZ 4.39Å
16P92.4Very high88.3Confident61 Ų6158.6 Ų58.640%0.39630%0.296SS..Hα-helixtrans-50.1-38.3175.8-28.635.5000112.8E14 I18 T19 D20E14-P16 WeakPolarHBondContact O-CD 3.45Å; P16-I18 PolarHBondContact O-N 3.19Å; P16-I18 VanDerWaalsContact O-N 3.07Å; P16-T19 WeakPolarHBondContact CA-OG1 3.15Å; P16-T19 PolarHBondContact O-N 3.32Å; P16-T19 PolarHBondContact O-OG1 3.49Å; P16-D20 WeakPolarHBondContact O-CB 3.16Å; P16-D20 PolarHBondContact O-N 3.24Å
17Q92.7Very high88.6Confident94 Ų9464.3 Ų64.344%0.43932%0.318SS..Hα-helixtrans-59.3-25.4178.7-54.986.9-10.700113.7F15 L21 I90F15-Q17 PolarHBondContact O-N 3.08Å; F15-Q17 VanDerWaalsContact O-N 3.11Å; Q17-L21 WeakPolarHBondContact O-CD1 3.47Å; Q17-L21 WeakPolarHBondContact O-CG 3.4Å; Q17-I90 HydrophobicContact CB-CD1 3.89Å
18I93.1Very high88.6Confident0 Ų065.2 Ų65.20%033%0.325CS..Hα-helixtrans-89.4-49.5173.8-62.3-61.1000110.3I12 F15 P16 D20 L21 F22 L53 M88 I90 F95I12-I18 HydrophobicContact CD1-CG2 4.1Å; I12-I18 HydrophobicContact CG1-CG2 4.13Å; F15-I18 HydrophobicContact CB-CB 4.25Å; F15-I18 HydrophobicContact CB-CG1 4.07Å; F15-I18 PolarHBondContact O-N 3.21Å; P16-I18 PolarHBondContact O-N 3.19Å; P16-I18 VanDerWaalsContact O-N 3.07Å; I18-D20 PolarHBondContact O-N 3.2Å; I18-L21 PolarHBondContact O-N 3.25Å; I18-L21 VanDerWaalsContact O-N 3.1Å; I18-F22 HydrophobicContact CG2-CD2 4.2Å; I18-F22 WeakPolarHBondContact O-CD2 3.37Å; I18-F22 PolarHBondContact O-N 2.84Å; I18-L53 HydrophobicContact CG2-CD2 3.64Å; I18-M88 HydrophobicContact CD1-CE 3.71Å; I18-I90 HydrophobicContact CD1-CD1 3.57Å; I18-I90 HydrophobicContact CG1-CD1 3.63Å; I18-F95 HydrophobicContact CD1-CD1 4.43Å; I18-F95 HydrophobicContact CD1-CD2 4.37Å; I18-F95 HydrophobicContact CD1-CG 4.23Å; I18-F95 HydrophobicContact CG1-CE1 4.35Å; I18-F95 HydrophobicContact CG1-CE2 4.5Å; I18-F95 HydrophobicContact CG1-CZ 4.34Å
19T92.3Very high88.5Confident26 Ų2664 Ų6416%0.1632%0.322CS..Hα-helixtrans-69.1-21.6-175.653.50000113.6F13 F15 P16 K42F13-T19 HydrophobicContact CD1-CG2 3.73Å; F13-T19 HydrophobicContact CE1-CG2 4.31Å; F13-T19 HydrophobicContact CG-CG2 4.42Å; F15-T19 PolarHBondContact O-N 3.34Å; F15-T19 VanDerWaalsContact O-N 3.14Å; F15-T19 PolarHBondContact O-OG1 3.34Å; P16-T19 WeakPolarHBondContact CA-OG1 3.15Å; P16-T19 PolarHBondContact O-N 3.32Å; P16-T19 PolarHBondContact O-OG1 3.49Å; T19-K42 WeakPolarHBondContact O-CE 3.3Å; T19-K42 PolarHBondContact O-NZ 2.98Å
20D93.4Very high88.4Confident106 Ų10667.4 Ų67.457%0.56734%0.336SS*.THydrogen-bonded Turntrans-72.9-31.9173.7-67.6-15.9000111.2P16 I18 K42P16-D20 WeakPolarHBondContact O-CB 3.16Å; P16-D20 PolarHBondContact O-N 3.24Å; I18-D20 PolarHBondContact O-N 3.2Å; D20-K42 WeakPolarHBondContact O-CD 3.21Å; D20-K42 PolarHBondContact O-NZ 3.29Å
21L92.5Very high88Confident63 Ų6363 Ų6333%0.3333%0.327SS..THydrogen-bonded Turntrans-91.3-28.9-179.8-62.6179.1000113.2Q17 I18 K42Q17-L21 WeakPolarHBondContact O-CD1 3.47Å; Q17-L21 WeakPolarHBondContact O-CG 3.4Å; I18-L21 PolarHBondContact O-N 3.25Å; I18-L21 VanDerWaalsContact O-N 3.1Å; L21-K42 PolarHBondContact O-N 3.47Å
22F94.1Very high87.8Confident17 Ų1766.4 Ų66.48%0.07535%0.35CS..EExtended strand (participates in β ladder)trans-132.7141.7-169.3-61.3-76.1000113.6I18 V39 R40 M88 L97I18-F22 HydrophobicContact CG2-CD2 4.2Å; I18-F22 WeakPolarHBondContact O-CD2 3.37Å; I18-F22 PolarHBondContact O-N 2.84Å; F22-V39 HydrophobicContact CB-CB 4.05Å; F22-V39 HydrophobicContact CB-CG2 4.4Å; F22-V39 HydrophobicContact CD1-CB 4.24Å; F22-V39 HydrophobicContact CD1-CG2 3.75Å; F22-V39 HydrophobicContact CE1-CG2 4.27Å; F22-V39 HydrophobicContact CG-CB 4.31Å; F22-V39 HydrophobicContact CG-CG2 4.11Å; F22-R40 CarbonylContact C-O 3.49Å; F22-R40 VanDerWaalsContact CA-O 3.24Å; F22-R40 WeakPolarHBondContact CA-O 3.49Å; F22-M88 HydrophobicContact CE2-CE 4.42Å; F22-L97 HydrophobicContact CE1-CD1 4.19Å; F22-L97 HydrophobicContact CE1-CD2 4.37Å; F22-L97 HydrophobicContact CZ-CD1 4.08Å; F22-L97 HydrophobicContact CZ-CD2 3.97Å
23N92.6Very high87.7Confident89 Ų8969.3 Ų69.348%0.47636%0.363SS..EExtended strand (participates in β ladder)trans-88.6117.5162.9-67.1-37.7000108.9V39 R40 K42N23-V39 CarbonylContact O-C 3.53Å; N23-V39 WeakPolarHBondContact O-CA 3.46Å; N23-R40 HydrophobicContact CB-CB 4.43Å; N23-R40 PolarHBondContact N-O 2.89Å; N23-R40 PolarHBondContact O-N 3.38Å; N23-K42 WeakPolarHBondContact OD1-CE 3.48Å
24V91.6Very high87.7Confident39 Ų3964.6 Ų64.624%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-83.6133.9180-174.80000110.2I12 L37 V39I12-V24 HydrophobicContact CG1-CG2 4.19Å; I12-V24 HydrophobicContact CG2-CB 4.4Å; I12-V24 HydrophobicContact CG2-CG1 4.22Å; I12-V24 HydrophobicContact CG2-CG2 3.91Å; V24-L37 HydrophobicContact CG1-CB 4.42Å; V24-L37 HydrophobicContact CG1-CD1 4.38Å; V24-V39 HydrophobicContact CG1-CG1 4.48Å; V24-V39 HydrophobicContact CG2-CG1 4.17Å
25S89.2Confident87.8Confident25 Ų2560.1 Ų60.118%0.17532%0.323CS..EExtended strand (participates in β ladder)trans-96.7157.51751800000111.1R27 A38S25-R27 PolarHBondContact O-N 2.84Å; S25-A38 WeakPolarHBondContact CB-O 3.34Å; S25-A38 PolarHBondContact N-O 3.2Å
26E84.4Confident87.8Confident169 Ų16962.4 Ų62.479%0.7934%0.337SS*.EExtended strand (participates in β ladder)trans-66.2-15.9175.8-61.8-175.5166.200113.7Q28E26-Q28 PolarHBondContact O-N 2.64Å
27R78.5Confident87.8Confident123 Ų12359.8 Ų59.846%0.46432%0.32SS..EExtended strand (participates in β ladder)trans-69.7112.3178.4-62.1-175.7-176.9-1653.1110.2S25 A38 D102S25-R27 PolarHBondContact O-N 2.84Å; R27-A38 HydrophobicContact CB-CB 3.84Å; R27-A38 WeakPolarHBondContact O-CB 3.18Å; R27-A38 PolarHBondContact O-N 3.34Å; R27-D102 IonicContact NH1-OD1 3.53Å; R27-D102 PolarHBondContact NH1-OD1 3.15Å; R27-D102 VanDerWaalsContact NH1-OD1 3.11Å; R27-D102 IonicContact NH1-OD2 2.85Å; R27-D102 PolarHBondContact NH1-OD2 3.35Å
28Q78.2Confident87.9Confident85 Ų8555.4 Ų55.440%0.39730%0.299SS..EExtended strand (participates in β ladder)trans-131.7148178.460.4175.3-25.800112.9L9 E26 V36 L37L9-Q28 HydrophobicContact CD2-CB 3.87Å; L9-Q28 HydrophobicContact CD2-CG 4.09Å; L9-Q28 HydrophobicContact CG-CG 4.4Å; E26-Q28 PolarHBondContact O-N 2.64Å; Q28-V36 CarbonylContact C-O 3.58Å; Q28-V36 VanDerWaalsContact CA-O 3.26Å; Q28-V36 WeakPolarHBondContact CA-O 3.22Å; Q28-L37 HydrophobicContact CB-CD2 3.98Å
29G79.2Confident88Confident34 Ų3455.4 Ų55.435%0.35130%0.299SS..EExtended strand (participates in β ladder)trans-115.5141.9164.100000109.8V36G29-V36 PolarHBondContact N-O 3.21Å; G29-V36 PolarHBondContact O-N 3.25Å
30Q79Confident88.1Confident116 Ų11658.3 Ų58.354%0.54231%0.307SS..EExtended strand (participates in β ladder)trans-120.1133.5178-66.5-178.2-0.700110.1R7R7-Q30 PolarHBondContact O-NE2 3.3Å
31G77Confident88.1Confident39 Ų3954.4 Ų54.440%0.40229%0.289SS..  trans-125.6177.5174.500000111.8F33 A34G31-F33 VanDerWaalsContact C-N 3.3Å; G31-F33 PolarHBondContact O-N 3.29Å; G31-A34 WeakPolarHBondContact CA-O 3.43Å; G31-A34 PolarHBondContact N-O 2.91Å
32T81.8Confident88.1Confident102 Ų10256.4 Ų56.463%0.62630%0.295SS*.SBendtrans-63.8-37.7178.2-51.90000112R7 I57R7-T32 PolarHBondContact NH2-O 3.06Å; T32-I57 VanDerWaalsContact O-CD1 3.28Å; T32-I57 WeakPolarHBondContact O-CD1 3.41Å
33F86Confident87.9Confident64 Ų6463 Ų6328%0.28133%0.326SS..SBendtrans-108.9-9.2-170.5-52.7-70.7000114G31 I57 V60 R64 L163G31-F33 VanDerWaalsContact C-N 3.3Å; G31-F33 PolarHBondContact O-N 3.29Å; F33-I57 PolarHBondContact O-N 2.62Å; F33-V60 HydrophobicContact CB-CG2 4.04Å; F33-V60 HydrophobicContact CD1-CG2 4.22Å; F33-R64 VanDerWaalsContact CZ-NH2 3.26Å; F33-L163 HydrophobicContact CE2-CD1 4.3Å; F33-L163 HydrophobicContact CE2-CD2 4.23Å; F33-L163 HydrophobicContact CE2-CG 4.21Å; F33-L163 HydrophobicContact CZ-CD2 4.33Å
34A90.8Very high87.5Confident7 Ų760.3 Ų60.36%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-159.4158.4-174.200000112.6G31 K54 M55 I56G31-A34 WeakPolarHBondContact CA-O 3.43Å; G31-A34 PolarHBondContact N-O 2.91Å; A34-K54 HydrophobicContact CB-CD 4.15Å; A34-K54 VanDerWaalsContact CB-CE 3.45Å; A34-K54 HydrophobicContact CB-CG 3.62Å; A34-M55 CarbonylContact C-O 3.56Å; A34-M55 WeakPolarHBondContact CA-O 3.48Å; A34-M55 WeakPolarHBondContact CB-O 3.24Å; A34-I56 HydrophobicContact CB-CD1 4.09Å
35S91.5Very high87.3Confident3 Ų364.7 Ų64.72%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-107.1137.1163.5-56.10000108.4V6 K54 M55V6-S35 PolarHBondContact O-OG 3.1Å; S35-K54 CarbonylContact O-C 3.53Å; S35-K54 WeakPolarHBondContact O-CA 3.47Å; S35-M55 PolarHBondContact N-O 3.09Å; S35-M55 PolarHBondContact O-N 3.44Å
36V93.2Very high87.2Confident49 Ų4967.1 Ų67.130%0.29735%0.352SS..EExtended strand (participates in β ladder)trans-114.8121.3178.3-1770000108.5Q28 G29 A52 L53 K54Q28-V36 CarbonylContact C-O 3.58Å; Q28-V36 VanDerWaalsContact CA-O 3.26Å; Q28-V36 WeakPolarHBondContact CA-O 3.22Å; G29-V36 PolarHBondContact N-O 3.21Å; G29-V36 PolarHBondContact O-N 3.25Å; V36-A52 HydrophobicContact CG1-CB 3.98Å; V36-L53 WeakPolarHBondContact CA-O 3.04Å; V36-K54 HydrophobicContact CG2-CB 4.19Å; V36-K54 HydrophobicContact CG2-CG 4.07Å
37L93.5Very high87Confident6 Ų666.3 Ų66.33%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-111.5137.5-177.7-58.1172.7000109.9L9 I12 V24 Q28 V39 A52 L53L9-L37 HydrophobicContact CD2-CD2 3.29Å; I12-L37 HydrophobicContact CB-CD1 3.92Å; I12-L37 HydrophobicContact CD1-CD1 3.81Å; I12-L37 HydrophobicContact CG1-CD1 3.73Å; I12-L37 HydrophobicContact CG2-CD1 4.46Å; V24-L37 HydrophobicContact CG1-CB 4.42Å; V24-L37 HydrophobicContact CG1-CD1 4.38Å; Q28-L37 HydrophobicContact CB-CD2 3.98Å; L37-V39 HydrophobicContact CB-CG1 4.25Å; L37-A52 WeakPolarHBondContact O-CA 3.29Å; L37-L53 HydrophobicContact CB-CB 4.48Å; L37-L53 PolarHBondContact N-O 3.07Å; L37-L53 PolarHBondContact O-N 2.9Å
38A94.6Very high87.1Confident1 Ų164.6 Ų64.61%0.00836%0.355CS..EExtended strand (participates in β ladder)trans-78.2128.8166.100000109.4S25 R27 Y50 Y51 F100S25-A38 WeakPolarHBondContact CB-O 3.34Å; S25-A38 PolarHBondContact N-O 3.2Å; R27-A38 HydrophobicContact CB-CB 3.84Å; R27-A38 WeakPolarHBondContact O-CB 3.18Å; R27-A38 PolarHBondContact O-N 3.34Å; A38-Y50 HydrophobicContact CB-CD1 4.09Å; A38-Y51 CarbonylContact C-O 3.52Å; A38-Y51 WeakPolarHBondContact CA-O 3.41Å; A38-F100 HydrophobicContact CB-CD2 3.79Å; A38-F100 HydrophobicContact CB-CE2 3.56Å; A38-F100 HydrophobicContact CB-CZ 4.16Å
39V95.1Very high87.7Confident0 Ų064.8 Ų64.80%035%0.354CS..EExtended strand (participates in β ladder)trans-134.4151.2-177.7-56.30000111.3F22 N23 V24 L37 Y50 Y51 L53 L97F22-V39 HydrophobicContact CB-CB 4.05Å; F22-V39 HydrophobicContact CB-CG2 4.4Å; F22-V39 HydrophobicContact CD1-CB 4.24Å; F22-V39 HydrophobicContact CD1-CG2 3.75Å; F22-V39 HydrophobicContact CE1-CG2 4.27Å; F22-V39 HydrophobicContact CG-CB 4.31Å; F22-V39 HydrophobicContact CG-CG2 4.11Å; N23-V39 CarbonylContact O-C 3.53Å; N23-V39 WeakPolarHBondContact O-CA 3.46Å; V24-V39 HydrophobicContact CG1-CG1 4.48Å; V24-V39 HydrophobicContact CG2-CG1 4.17Å; L37-V39 HydrophobicContact CB-CG1 4.25Å; V39-Y50 CarbonylContact O-C 3.59Å; V39-Y50 WeakPolarHBondContact O-CA 3.33Å; V39-Y51 PolarHBondContact N-O 3.14Å; V39-Y51 PolarHBondContact O-N 2.82Å; V39-L53 HydrophobicContact CG1-CB 3.88Å; V39-L53 HydrophobicContact CG1-CD2 4.21Å; V39-L53 HydrophobicContact CG2-CB 4.08Å; V39-L97 HydrophobicContact CG2-CD1 4.16Å
40R94.2Very high88.4Confident87 Ų8766.2 Ų66.233%0.32835%0.349SS..EExtended strand (participates in β ladder)trans-115132.5172.3-69.8-175.8-94.1179.2-5.1109.2F22 N23 E47 Y50F22-R40 CarbonylContact C-O 3.49Å; F22-R40 VanDerWaalsContact CA-O 3.24Å; F22-R40 WeakPolarHBondContact CA-O 3.49Å; N23-R40 HydrophobicContact CB-CB 4.43Å; N23-R40 PolarHBondContact N-O 2.89Å; N23-R40 PolarHBondContact O-N 3.38Å; R40-E47 WeakPolarHBondContact CD-O 3.35Å; R40-E47 PolarHBondContact NH1-O 3.41Å; R40-Y50 HydrophobicContact CG-CD1 3.69Å; R40-Y50 HydrophobicContact CG-CD2 4.41Å; R40-Y50 HydrophobicContact CG-CE1 3.71Å; R40-Y50 HydrophobicContact CG-CE2 4.41Å; R40-Y50 HydrophobicContact CG-CG 4.07Å; R40-Y50 PolarHBondContact NE-OH 3.02Å; R40-Y50 PolarHBondContact NH2-OH 3.09Å
41S93.1Very high89.2Confident25 Ų2561.7 Ų61.718%0.17533%0.328CS..EExtended strand (participates in β ladder)trans-70.4132.2176.7174.40000109.4Q43 D44S41-Q43 PolarHBondContact O-N 2.85Å; S41-Q43 PolarHBondContact OG-N 2.88Å; S41-D44 PolarHBondContact OG-N 3.48Å
42K92.7Very high90.1Very high104 Ų10460.3 Ų60.345%0.45231%0.312SS..SBendtrans-72.8-12.9173.4-63.4-170.1-166.4167.80113.1T19 D20 L21 N23T19-K42 WeakPolarHBondContact O-CE 3.3Å; T19-K42 PolarHBondContact O-NZ 2.98Å; D20-K42 WeakPolarHBondContact O-CD 3.21Å; D20-K42 PolarHBondContact O-NZ 3.29Å; L21-K42 PolarHBondContact O-N 3.47Å; N23-K42 WeakPolarHBondContact OD1-CE 3.48Å
43Q89.1Confident90.8Very high156 Ų15655.4 Ų55.473%0.72928%0.282SS*.SBendtrans-100.7-13.8-179.2-62.2179.1-2.800113S41S41-Q43 PolarHBondContact O-N 2.85Å; S41-Q43 PolarHBondContact OG-N 2.88Å
44D85.3Confident91.2Very high33 Ų3352.8 Ų52.818%0.17627%0.271CS..  trans-82.1122.7-179.6-163-26.8000108.5S41 D46 K49 Y51S41-D44 PolarHBondContact OG-N 3.48Å; D44-D46 PolarHBondContact O-N 3.48Å; D44-D46 PolarHBondContact OD1-N 2.88Å; D44-K49 WeakPolarHBondContact OD2-CD 3.37Å; D44-K49 IonicContact OD2-NZ 3.74Å; D44-Y51 PolarHBondContact OD2-OH 3.17Å
45P86.1Confident91.4Very high131 Ų13152.6 Ų52.685%0.85127%0.269SS*.SBendtrans-63.7-21179.825.7-35.3000112.8E47P45-E47 PolarHBondContact O-N 3.1Å
46D88.9Confident91.5Very high76 Ų7652.7 Ų52.741%0.40627%0.269SS..  trans-86.688.8173.5-175.44.7000110.9D44 S48 K49D44-D46 PolarHBondContact O-N 3.48Å; D44-D46 PolarHBondContact OD1-N 2.88Å; D46-S48 PolarHBondContact O-N 3.45Å; D46-S48 VanDerWaalsContact OD1-CB 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.46Å; D46-S48 PolarHBondContact OD1-N 2.68Å; D46-S48 PolarHBondContact OD1-OG 2.58Å; D46-S48 PolarHBondContact OD2-OG 2.87Å; D46-K49 HydrophobicContact CB-CB 4.18Å; D46-K49 WeakPolarHBondContact O-CB 3.26Å; D46-K49 PolarHBondContact O-N 2.68Å
47E79.1Confident91.3Very high152 Ų15250.4 Ų50.471%0.7126%0.255SS*.THydrogen-bonded Turntrans-61.7-14.2176-65.3-170.4-176.800113.9R40 P45 K49R40-E47 WeakPolarHBondContact CD-O 3.35Å; R40-E47 PolarHBondContact NH1-O 3.41Å; P45-E47 PolarHBondContact O-N 3.1Å; E47-K49 VanDerWaalsContact C-N 3.29Å
48S81.8Confident91.1Very high87 Ų8752.4 Ų52.461%0.60827%0.268SS*.THydrogen-bonded Turntrans-80.9-13.1176.583.10000112.5D46 Y50D46-S48 PolarHBondContact O-N 3.45Å; D46-S48 VanDerWaalsContact OD1-CB 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.46Å; D46-S48 PolarHBondContact OD1-N 2.68Å; D46-S48 PolarHBondContact OD1-OG 2.58Å; D46-S48 PolarHBondContact OD2-OG 2.87Å; S48-Y50 VanDerWaalsContact O-CD2 3.32Å; S48-Y50 WeakPolarHBondContact O-CD2 3.49Å; S48-Y50 PolarHBondContact O-N 3.5Å
49K90.5Very high90.9Very high89 Ų8956.8 Ų56.839%0.38730%0.295SS..  trans-85.4113.2-174.2-168.3171.2173-160.70112.3D44 D46 E47 Y51D44-K49 WeakPolarHBondContact OD2-CD 3.37Å; D44-K49 IonicContact OD2-NZ 3.74Å; D46-K49 HydrophobicContact CB-CB 4.18Å; D46-K49 WeakPolarHBondContact O-CB 3.26Å; D46-K49 PolarHBondContact O-N 2.68Å; E47-K49 VanDerWaalsContact C-N 3.29Å; K49-Y51 HydrophobicContact CD-CE2 4.43Å; K49-Y51 WeakPolarHBondContact CE-OH 3.31Å; K49-Y51 HydrophobicContact CG-CE2 4.18Å; K49-Y51 PolarHBondContact NZ-OH 3.3Å
50Y93.7Very high90.6Very high63 Ų6357.8 Ų57.825%0.24730%0.301CS..EExtended strand (participates in β ladder)trans-91.8148.2173.1-71.1-95.5000111.9A38 V39 R40 S48 F100A38-Y50 HydrophobicContact CB-CD1 4.09Å; V39-Y50 CarbonylContact O-C 3.59Å; V39-Y50 WeakPolarHBondContact O-CA 3.33Å; R40-Y50 HydrophobicContact CG-CD1 3.69Å; R40-Y50 HydrophobicContact CG-CD2 4.41Å; R40-Y50 HydrophobicContact CG-CE1 3.71Å; R40-Y50 HydrophobicContact CG-CE2 4.41Å; R40-Y50 HydrophobicContact CG-CG 4.07Å; R40-Y50 PolarHBondContact NE-OH 3.02Å; R40-Y50 PolarHBondContact NH2-OH 3.09Å; S48-Y50 VanDerWaalsContact O-CD2 3.32Å; S48-Y50 WeakPolarHBondContact O-CD2 3.49Å; S48-Y50 PolarHBondContact O-N 3.5Å; Y50-F100 VanDerWaalsContact C-CB 3.49Å; Y50-F100 VanDerWaalsContact O-CB 3.31Å; Y50-F100 WeakPolarHBondContact O-CB 3.47Å
51Y95.3Very high90.4Very high22 Ų2257 Ų579%0.08630%0.304CS..EExtended strand (participates in β ladder)trans-120.7153.6169.4-60.5-89.7000109.6A38 V39 D44 K49 H85 L97 M98A38-Y51 CarbonylContact C-O 3.52Å; A38-Y51 WeakPolarHBondContact CA-O 3.41Å; V39-Y51 PolarHBondContact N-O 3.14Å; V39-Y51 PolarHBondContact O-N 2.82Å; D44-Y51 PolarHBondContact OD2-OH 3.17Å; K49-Y51 HydrophobicContact CD-CE2 4.43Å; K49-Y51 WeakPolarHBondContact CE-OH 3.31Å; K49-Y51 HydrophobicContact CG-CE2 4.18Å; K49-Y51 PolarHBondContact NZ-OH 3.3Å; Y51-H85 AromaticContact CD1-CE1 3.83Å; Y51-H85 AromaticContact CD1-ND1 3.65Å; Y51-H85 AromaticContact CE1-CE1 3.63Å; Y51-H85 AromaticContact CE1-ND1 3.61Å; Y51-L97 HydrophobicContact CG-CD1 4.34Å; Y51-M98 WeakPolarHBondContact CA-O 3.17Å
52A96Very high90.3Very high9 Ų960.8 Ų60.87%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-96.7122.117100000109.1V36 L37 M98 F100V36-A52 HydrophobicContact CG1-CB 3.98Å; L37-A52 WeakPolarHBondContact O-CA 3.29Å; A52-M98 HydrophobicContact CB-CB 4.47Å; A52-M98 PolarHBondContact N-O 2.92Å; A52-M98 PolarHBondContact O-N 3.36Å; A52-F100 HydrophobicContact CB-CD2 4.35Å
53L95.9Very high90.2Very high0 Ų060 Ų600%032%0.32CS..EExtended strand (participates in β ladder)trans-104.5103.6173.7-171.769.6000108.9I12 I18 V36 L37 V39 M55 F95 L97I12-L53 HydrophobicContact CD1-CD2 4.2Å; I18-L53 HydrophobicContact CG2-CD2 3.64Å; V36-L53 WeakPolarHBondContact CA-O 3.04Å; L37-L53 HydrophobicContact CB-CB 4.48Å; L37-L53 PolarHBondContact N-O 3.07Å; L37-L53 PolarHBondContact O-N 2.9Å; V39-L53 HydrophobicContact CG1-CB 3.88Å; V39-L53 HydrophobicContact CG1-CD2 4.21Å; V39-L53 HydrophobicContact CG2-CB 4.08Å; L53-M55 PolarHBondContact O-N 3.22Å; L53-F95 HydrophobicContact CD1-CB 3.92Å; L53-F95 HydrophobicContact CD1-CD1 4.39Å; L53-F95 HydrophobicContact CD2-CD1 4.08Å; L53-F95 HydrophobicContact CG-CD1 4.16Å; L53-L97 HydrophobicContact CD1-CD1 4.08Å
54K95Very high90.2Very high9 Ų955.5 Ų55.54%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-85.3107.6175.3-177-178.4-172.3-173.70109.1A34 S35 V36 I56 E68 F95 I96 M98 D160A34-K54 HydrophobicContact CB-CD 4.15Å; A34-K54 VanDerWaalsContact CB-CE 3.45Å; A34-K54 HydrophobicContact CB-CG 3.62Å; S35-K54 CarbonylContact O-C 3.53Å; S35-K54 WeakPolarHBondContact O-CA 3.47Å; V36-K54 HydrophobicContact CG2-CB 4.19Å; V36-K54 HydrophobicContact CG2-CG 4.07Å; K54-I56 HydrophobicContact CD-CD1 4.01Å; K54-I56 HydrophobicContact CG-CD1 4.02Å; K54-E68 IonicContact NZ-OE1 3.91Å; K54-E68 PolarHBondContact NZ-OE1 3.08Å; K54-E68 IonicContact NZ-OE2 2.94Å; K54-E68 PolarHBondContact NZ-OE2 2.79Å; K54-F95 CarbonylContact O-C 3.48Å; K54-F95 WeakPolarHBondContact O-CA 3.31Å; K54-I96 HydrophobicContact CB-CB 4.27Å; K54-I96 PolarHBondContact N-O 3.26Å; K54-I96 PolarHBondContact O-N 3.19Å; K54-M98 HydrophobicContact CB-CE 3.74Å; K54-M98 HydrophobicContact CD-CE 4.27Å; K54-D160 IonicContact NZ-OD1 3.3Å; K54-D160 PolarHBondContact NZ-OD1 3.32Å
55M94.3Very high90.6Very high3 Ų354.8 Ų54.82%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-88.4113.3172.4-177.9175.5-167.600109.6V6 Y11 I12 F15 A34 S35 L53 H93 F95V6-M55 HydrophobicContact CG1-CE 4.14Å; V6-M55 HydrophobicContact CG1-CG 4.5Å; V6-M55 HydrophobicContact CG1-SD 4.23Å; Y11-M55 HydrophobicContact CD1-CE 3.51Å; Y11-M55 HydrophobicContact CD1-SD 4.23Å; Y11-M55 HydrophobicContact CE1-CE 3.41Å; Y11-M55 VanDerWaalsContact CE1-CE 3.41Å; I12-M55 HydrophobicContact CD1-SD 4.23Å; F15-M55 HydrophobicContact CD2-CE 4.43Å; F15-M55 HydrophobicContact CE2-CE 3.59Å; F15-M55 HydrophobicContact CZ-CE 3.86Å; A34-M55 CarbonylContact C-O 3.56Å; A34-M55 WeakPolarHBondContact CA-O 3.48Å; A34-M55 WeakPolarHBondContact CB-O 3.24Å; S35-M55 PolarHBondContact N-O 3.09Å; S35-M55 PolarHBondContact O-N 3.44Å; L53-M55 PolarHBondContact O-N 3.22Å; M55-H93 HydrophobicContact CE-CB 4.43Å; M55-H93 WeakPolarHBondContact CE-ND1 3.32Å; M55-F95 HydrophobicContact CB-CD1 4.01Å; M55-F95 HydrophobicContact CB-CE1 3.94Å; M55-F95 HydrophobicContact CE-CE1 3.98Å; M55-F95 HydrophobicContact CE-CZ 3.89Å; M55-F95 HydrophobicContact CG-CD1 4.08Å; M55-F95 HydrophobicContact CG-CE1 3.58Å; M55-F95 HydrophobicContact CG-CZ 4.22Å; M55-F95 HydrophobicContact SD-CE1 3.82Å; M55-F95 HydrophobicContact SD-CZ 4.34Å
56I93.4Very high90.9Very high4 Ų452.5 Ų52.52%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-77136.7179.4-53.6-63.1000109.8A34 K54 V60 I65 V94 I96A34-I56 HydrophobicContact CB-CD1 4.09Å; K54-I56 HydrophobicContact CD-CD1 4.01Å; K54-I56 HydrophobicContact CG-CD1 4.02Å; I56-V60 HydrophobicContact CG2-CB 3.83Å; I56-V60 HydrophobicContact CG2-CG1 4.19Å; I56-V60 HydrophobicContact CG2-CG2 3.93Å; I56-I65 HydrophobicContact CB-CD1 4.45Å; I56-I65 HydrophobicContact CG1-CG2 4.48Å; I56-I65 HydrophobicContact CG2-CD1 3.68Å; I56-I65 HydrophobicContact CG2-CG1 3.94Å; I56-V94 HydrophobicContact CB-CB 4.38Å; I56-V94 HydrophobicContact CG1-CB 4.21Å; I56-V94 HydrophobicContact CG1-CG1 4.45Å; I56-V94 WeakPolarHBondContact CG1-O 3.38Å; I56-V94 PolarHBondContact N-O 2.78Å; I56-I96 HydrophobicContact CD1-CD1 4.27Å
57I90.4Very high91.1Very high1 Ų149 Ų491%0.00525%0.251CS..  trans-68.7131.6176.3-58.7175.2000108.9E3 V6 T32 F33 T59 V60E3-I57 HydrophobicContact CG-CG2 4.14Å; V6-I57 HydrophobicContact CG1-CG1 4.29Å; T32-I57 VanDerWaalsContact O-CD1 3.28Å; T32-I57 WeakPolarHBondContact O-CD1 3.41Å; F33-I57 PolarHBondContact O-N 2.62Å; I57-T59 WeakPolarHBondContact CG2-OG1 3.5Å; I57-T59 PolarHBondContact O-N 3.33Å; I57-V60 HydrophobicContact CB-CG2 4.36Å; I57-V60 WeakPolarHBondContact O-CB 3.37Å; I57-V60 VanDerWaalsContact O-CG2 3.29Å; I57-V60 WeakPolarHBondContact O-CG2 3.5Å; I57-V60 PolarHBondContact O-N 2.92Å
58P89.7Confident91.8Very high49 Ų4942.2 Ų42.232%0.31822%0.219SC..THydrogen-bonded Turntrans-57.7-19.1-175.9-30.336.6000116.3V60 H93P58-V60 PolarHBondContact O-N 2.82Å; P58-H93 WeakPolarHBondContact CG-CE1 3.44Å; P58-H93 WeakPolarHBondContact CG-ND1 3.41Å
59T89.6Confident92.4Very high93 Ų9340 Ų4057%0.57120%0.2SC*.THydrogen-bonded Turntrans-78.1-7.2178.553.90000113.2E3 I57E3-T59 PolarHBondContact OE1-OG1 3.11Å; I57-T59 WeakPolarHBondContact CG2-OG1 3.5Å; I57-T59 PolarHBondContact O-N 3.33Å
60V89.7Confident92.6Very high20 Ų2037.7 Ų37.712%0.12119%0.189CC..SBendtrans-73.2130.3176.8178.70000110.3F33 I56 I57 P58 V62 R64 I65F33-V60 HydrophobicContact CB-CG2 4.04Å; F33-V60 HydrophobicContact CD1-CG2 4.22Å; I56-V60 HydrophobicContact CG2-CB 3.83Å; I56-V60 HydrophobicContact CG2-CG1 4.19Å; I56-V60 HydrophobicContact CG2-CG2 3.93Å; I57-V60 HydrophobicContact CB-CG2 4.36Å; I57-V60 WeakPolarHBondContact O-CB 3.37Å; I57-V60 VanDerWaalsContact O-CG2 3.29Å; I57-V60 WeakPolarHBondContact O-CG2 3.5Å; I57-V60 PolarHBondContact O-N 2.92Å; P58-V60 PolarHBondContact O-N 2.82Å; V60-V62 PolarHBondContact O-N 2.73Å; V60-R64 HydrophobicContact CG1-CB 4.27Å; V60-R64 HydrophobicContact CG1-CG 4.28Å; V60-I65 HydrophobicContact CB-CD1 4.35Å; V60-I65 HydrophobicContact CB-CG1 4.34Å; V60-I65 HydrophobicContact CG1-CD1 4.34Å; V60-I65 HydrophobicContact CG1-CG1 3.79Å
61D89.8Confident92.6Very high72 Ų7234.8 Ų34.839%0.38518%0.178SC..  trans-53.7128.9177.6-175.5-61000111.4R63 R64 I65D61-R63 PolarHBondContact O-N 2.77Å; D61-R63 WeakPolarHBondContact OD1-CA 3.2Å; D61-R63 WeakPolarHBondContact OD1-CB 3.49Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 IonicContact OD1-CZ 3.68Å; D61-R63 PolarHBondContact OD1-N 3.05Å; D61-R63 IonicContact OD1-NE 3.02Å; D61-R63 PolarHBondContact OD1-NE 3.1Å; D61-R63 VanDerWaalsContact OD1-NE 3.09Å; D61-R63 IonicContact OD1-NH2 2.73Å; D61-R63 IonicContact OD2-CZ 2.58Å; D61-R63 IonicContact OD2-NE 2.77Å; D61-R63 PolarHBondContact OD2-NE 3.34Å; D61-R63 IonicContact OD2-NH2 3.18Å; D61-R63 PolarHBondContact OD2-NH2 2.55Å; D61-R64 HydrophobicContact CB-CB 4.36Å; D61-R64 WeakPolarHBondContact O-CA 3.25Å; D61-R64 VanDerWaalsContact O-CB 3.23Å; D61-R64 WeakPolarHBondContact O-CB 3.43Å; D61-R64 PolarHBondContact O-N 3.02Å; D61-I65 PolarHBondContact O-N 3.01Å
62V91.2Very high92.7Very high104 Ų10433.9 Ų33.963%0.6317%0.174SC*.Hα-helixtrans-55.5-36.9-176.4177.40000112.4V60 R64 I65 E66V60-V62 PolarHBondContact O-N 2.73Å; V62-R64 VanDerWaalsContact C-N 3.25Å; V62-R64 PolarHBondContact O-N 3.07Å; V62-I65 WeakPolarHBondContact O-CB 3.3Å; V62-I65 PolarHBondContact O-N 2.83Å; V62-E66 WeakPolarHBondContact O-CB 3.44Å; V62-E66 PolarHBondContact O-N 3.2Å
63R88.7Confident92.6Very high88 Ų8840.8 Ų40.833%0.33220%0.198SC..Hα-helixtrans-65.2-33.4178.5-61.3171.7-70.7-164-3.2111.6D61 N67 S234D61-R63 PolarHBondContact O-N 2.77Å; D61-R63 WeakPolarHBondContact OD1-CA 3.2Å; D61-R63 WeakPolarHBondContact OD1-CB 3.49Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 IonicContact OD1-CZ 3.68Å; D61-R63 PolarHBondContact OD1-N 3.05Å; D61-R63 IonicContact OD1-NE 3.02Å; D61-R63 PolarHBondContact OD1-NE 3.1Å; D61-R63 VanDerWaalsContact OD1-NE 3.09Å; D61-R63 IonicContact OD1-NH2 2.73Å; D61-R63 IonicContact OD2-CZ 2.58Å; D61-R63 IonicContact OD2-NE 2.77Å; D61-R63 PolarHBondContact OD2-NE 3.34Å; D61-R63 IonicContact OD2-NH2 3.18Å; D61-R63 PolarHBondContact OD2-NH2 2.55Å; R63-N67 WeakPolarHBondContact O-CB 3.33Å; R63-N67 PolarHBondContact O-N 3.01Å; R63-S234 PolarHBondContact NH1-OG 3.49Å
64R90.7Very high92.5Very high61 Ų6143.2 Ų43.223%0.2321%0.208CC..Hα-helixtrans-68.5-39.1176.4-176.7173.1168.4150.4-0.4111.4F33 V60 D61 V62 E68 G162 L163F33-R64 VanDerWaalsContact CZ-NH2 3.26Å; V60-R64 HydrophobicContact CG1-CB 4.27Å; V60-R64 HydrophobicContact CG1-CG 4.28Å; D61-R64 HydrophobicContact CB-CB 4.36Å; D61-R64 WeakPolarHBondContact O-CA 3.25Å; D61-R64 VanDerWaalsContact O-CB 3.23Å; D61-R64 WeakPolarHBondContact O-CB 3.43Å; D61-R64 PolarHBondContact O-N 3.02Å; V62-R64 VanDerWaalsContact C-N 3.25Å; V62-R64 PolarHBondContact O-N 3.07Å; R64-E68 PolarHBondContact O-N 2.86Å; R64-G162 WeakPolarHBondContact CD-O 3.48Å; R64-G162 VanDerWaalsContact CG-O 3.24Å; R64-G162 WeakPolarHBondContact CG-O 3.5Å; R64-G162 PolarHBondContact NE-O 3.1Å; R64-G162 PolarHBondContact NH2-O 3.31Å; R64-G162 VanDerWaalsContact NH2-O 3.1Å; R64-L163 VanDerWaalsContact CZ-CD2 3.46Å
65I92.9Very high92.5Very high17 Ų1743 Ų439%0.08721%0.207CC..Hα-helixtrans-65.6-49.1174.8-51.9179.5000110.4I56 V60 D61 V62 N67 E68 I69 V94I56-I65 HydrophobicContact CB-CD1 4.45Å; I56-I65 HydrophobicContact CG1-CG2 4.48Å; I56-I65 HydrophobicContact CG2-CD1 3.68Å; I56-I65 HydrophobicContact CG2-CG1 3.94Å; V60-I65 HydrophobicContact CB-CD1 4.35Å; V60-I65 HydrophobicContact CB-CG1 4.34Å; V60-I65 HydrophobicContact CG1-CD1 4.34Å; V60-I65 HydrophobicContact CG1-CG1 3.79Å; D61-I65 PolarHBondContact O-N 3.01Å; V62-I65 WeakPolarHBondContact O-CB 3.3Å; V62-I65 PolarHBondContact O-N 2.83Å; I65-N67 VanDerWaalsContact C-N 3.32Å; I65-N67 PolarHBondContact O-N 3.46Å; I65-E68 PolarHBondContact O-N 2.91Å; I65-I69 HydrophobicContact CG2-CD1 4.07Å; I65-I69 WeakPolarHBondContact O-CG1 3.06Å; I65-I69 PolarHBondContact O-N 3.18Å; I65-V94 HydrophobicContact CD1-CG2 4.3Å; I65-V94 HydrophobicContact CG2-CB 3.95Å; I65-V94 HydrophobicContact CG2-CG1 3.7Å; I65-V94 HydrophobicContact CG2-CG2 4.04Å
66E92.5Very high92.5Very high84 Ų8444.5 Ų44.539%0.39322%0.223SC..Hα-helixtrans-58.7-44.6177.7176.7171.2-152.200111.7V62 I69 R70V62-E66 WeakPolarHBondContact O-CB 3.44Å; V62-E66 PolarHBondContact O-N 3.2Å; E66-I69 PolarHBondContact O-N 2.89Å; E66-R70 HydrophobicContact CG-CG 4.28Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 VanDerWaalsContact O-CG 3.3Å; E66-R70 WeakPolarHBondContact O-CG 3.43Å; E66-R70 PolarHBondContact O-N 2.79Å; E66-R70 IonicContact OE1-CZ 3.52Å; E66-R70 IonicContact OE1-NE 3.9Å; E66-R70 PolarHBondContact OE1-NE 3.45Å; E66-R70 IonicContact OE1-NH2 2.84Å; E66-R70 PolarHBondContact OE1-NH2 3.26Å
67N92.3Very high92.5Very high3 Ų345.6 Ų45.62%0.01624%0.236CC..Hα-helixtrans-61.2-44.5176.9175.689.7000111.8R63 I65 I69 R70 I71 A164 I172R63-N67 WeakPolarHBondContact O-CB 3.33Å; R63-N67 PolarHBondContact O-N 3.01Å; I65-N67 VanDerWaalsContact C-N 3.32Å; I65-N67 PolarHBondContact O-N 3.46Å; N67-I69 PolarHBondContact O-N 2.83Å; N67-R70 PolarHBondContact O-N 3.03Å; N67-I71 WeakPolarHBondContact ND2-CD1 3.49Å; N67-I71 WeakPolarHBondContact O-CB 3.22Å; N67-I71 WeakPolarHBondContact O-CD1 3.47Å; N67-I71 WeakPolarHBondContact O-CG1 3.19Å; N67-I71 PolarHBondContact O-N 2.96Å; N67-A164 PolarHBondContact ND2-O 2.82Å; N67-I172 WeakPolarHBondContact OD1-CB 3.37Å; N67-I172 WeakPolarHBondContact OD1-CD1 3.25Å; N67-I172 VanDerWaalsContact OD1-CG1 3.25Å; N67-I172 WeakPolarHBondContact OD1-CG1 3.19Å; N67-I172 PolarHBondContact OD1-N 3.08Å
68E94.6Very high92.7Very high8 Ų851.5 Ų51.54%0.03726%0.262CS..Hα-helixtrans-58.4-47.5174.2176.2164.6-159.400111.7K54 R64 I65 I71 L72 I96 F161 G162K54-E68 IonicContact NZ-OE1 3.91Å; K54-E68 PolarHBondContact NZ-OE1 3.08Å; K54-E68 IonicContact NZ-OE2 2.94Å; K54-E68 PolarHBondContact NZ-OE2 2.79Å; R64-E68 PolarHBondContact O-N 2.86Å; I65-E68 PolarHBondContact O-N 2.91Å; E68-I71 PolarHBondContact O-N 3.38Å; E68-L72 HydrophobicContact CG-CD1 3.88Å; E68-L72 HydrophobicContact CG-CG 4.48Å; E68-L72 WeakPolarHBondContact O-CB 3.23Å; E68-L72 WeakPolarHBondContact O-CG 3.06Å; E68-L72 PolarHBondContact O-N 3.48Å; E68-I96 HydrophobicContact CG-CD1 4.35Å; E68-F161 HydrophobicContact CG-CB 4.09Å; E68-F161 PolarHBondContact OE1-N 3Å; E68-G162 PolarHBondContact OE1-N 3.21Å; E68-G162 VanDerWaalsContact OE2-CA 3.28Å; E68-G162 WeakPolarHBondContact OE2-CA 3.49Å
69I94.7Very high93Very high41 Ų4154.3 Ų54.321%0.2127%0.27CS..Hα-helixtrans-62.3-45.8179.3-69.1171.8000111.3I65 E66 N67 I71 L72 R73 M84 A87 V94 I96I65-I69 HydrophobicContact CG2-CD1 4.07Å; I65-I69 WeakPolarHBondContact O-CG1 3.06Å; I65-I69 PolarHBondContact O-N 3.18Å; E66-I69 PolarHBondContact O-N 2.89Å; N67-I69 PolarHBondContact O-N 2.83Å; I69-I71 PolarHBondContact O-N 3.38Å; I69-L72 PolarHBondContact O-N 2.9Å; I69-R73 VanDerWaalsContact O-CB 3.3Å; I69-R73 WeakPolarHBondContact O-CB 3.4Å; I69-R73 PolarHBondContact O-N 2.98Å; I69-M84 HydrophobicContact CB-SD 4.48Å; I69-M84 HydrophobicContact CG1-SD 4.36Å; I69-M84 HydrophobicContact CG2-CE 3.95Å; I69-M84 HydrophobicContact CG2-SD 4.14Å; I69-A87 HydrophobicContact CD1-CB 3.78Å; I69-A87 HydrophobicContact CG1-CB 4.13Å; I69-V94 HydrophobicContact CD1-CG1 4.09Å; I69-I96 HydrophobicContact CG1-CD1 4.08Å; I69-I96 HydrophobicContact CG1-CG1 4.49Å
70R94.1Very high93.4Very high41 Ų4152.1 Ų52.116%0.15526%0.255CS..Hα-helixtrans-62.7-42178.9-73.5178.3-177.6-139.63.7111.5E66 N67 R74 I172 E177E66-R70 HydrophobicContact CG-CG 4.28Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 VanDerWaalsContact O-CG 3.3Å; E66-R70 WeakPolarHBondContact O-CG 3.43Å; E66-R70 PolarHBondContact O-N 2.79Å; E66-R70 IonicContact OE1-CZ 3.52Å; E66-R70 IonicContact OE1-NE 3.9Å; E66-R70 PolarHBondContact OE1-NE 3.45Å; E66-R70 IonicContact OE1-NH2 2.84Å; E66-R70 PolarHBondContact OE1-NH2 3.26Å; N67-R70 PolarHBondContact O-N 3.03Å; R70-R74 PolarHBondContact O-N 3.3Å; R70-R74 VanDerWaalsContact O-N 3.09Å; R70-I172 HydrophobicContact CB-CG2 4.13Å; R70-E177 IonicContact NH1-OE2 3.36Å
71I94.7Very high93.8Very high1 Ų151.2 Ų51.21%0.00525%0.249CC..Hα-helixtrans-61.1-56.2175.6-69.6166.8000110.3N67 E68 I69 R73 R74 L75 V137 F161 A164 I172N67-I71 WeakPolarHBondContact ND2-CD1 3.49Å; N67-I71 WeakPolarHBondContact O-CB 3.22Å; N67-I71 WeakPolarHBondContact O-CD1 3.47Å; N67-I71 WeakPolarHBondContact O-CG1 3.19Å; N67-I71 PolarHBondContact O-N 2.96Å; E68-I71 PolarHBondContact O-N 3.38Å; I69-I71 PolarHBondContact O-N 3.38Å; I71-R73 VanDerWaalsContact C-N 3.27Å; I71-R73 PolarHBondContact O-N 3.04Å; I71-R74 PolarHBondContact O-N 2.86Å; I71-L75 HydrophobicContact CG2-CD1 3.45Å; I71-L75 VanDerWaalsContact CG2-CD1 3.45Å; I71-L75 HydrophobicContact CG2-CG 3.99Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 3.29Å; I71-V137 HydrophobicContact CD1-CG1 3.94Å; I71-V137 HydrophobicContact CG1-CG1 4.36Å; I71-V137 HydrophobicContact CG1-CG2 4.42Å; I71-V137 HydrophobicContact CG2-CG1 4.25Å; I71-F161 HydrophobicContact CG2-CB 4.38Å; I71-F161 HydrophobicContact CG2-CD1 3.51Å; I71-F161 HydrophobicContact CG2-CE1 3.99Å; I71-F161 HydrophobicContact CG2-CG 4.07Å; I71-A164 HydrophobicContact CD1-CB 3.62Å; I71-I172 HydrophobicContact CB-CD1 4.48Å; I71-I172 HydrophobicContact CD1-CD1 3.49Å; I71-I172 VanDerWaalsContact CD1-CD1 3.49Å; I71-I172 HydrophobicContact CG1-CD1 3.07Å
72L95.8Very high94.2Very high3 Ų347.9 Ų47.92%0.01623%0.232CC..Hα-helixtrans-57.7-42.2-176.6-74.4171.6000111.7E68 I69 R74 L75 G76 I82 M84 F161E68-L72 HydrophobicContact CG-CD1 3.88Å; E68-L72 HydrophobicContact CG-CG 4.48Å; E68-L72 WeakPolarHBondContact O-CB 3.23Å; E68-L72 WeakPolarHBondContact O-CG 3.06Å; E68-L72 PolarHBondContact O-N 3.48Å; I69-L72 PolarHBondContact O-N 2.9Å; L72-R74 PolarHBondContact O-N 2.88Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-G76 PolarHBondContact O-N 2.76Å; L72-I82 HydrophobicContact CD2-CG2 3.92Å; L72-M84 HydrophobicContact CB-CB 3.86Å; L72-M84 HydrophobicContact CB-SD 4.27Å; L72-M84 HydrophobicContact CD1-CB 4.25Å; L72-M84 HydrophobicContact CD1-SD 4.42Å; L72-F161 HydrophobicContact CD2-CD2 3.48Å; L72-F161 VanDerWaalsContact CD2-CD2 3.48Å; L72-F161 HydrophobicContact CD2-CE2 3.9Å; L72-F161 HydrophobicContact CD2-CG 4.19Å; L72-F161 HydrophobicContact CG-CD2 4.28Å
73R94.6Very high94.4Very high154 Ų15447.4 Ų47.458%0.58122%0.223SC*.Hα-helixtrans-58.6-45.4174.5-176.2175.468.7175.32.3112.1I69 I71 M84 E177I69-R73 VanDerWaalsContact O-CB 3.3Å; I69-R73 WeakPolarHBondContact O-CB 3.4Å; I69-R73 PolarHBondContact O-N 2.98Å; I71-R73 VanDerWaalsContact C-N 3.27Å; I71-R73 PolarHBondContact O-N 3.04Å; R73-M84 HydrophobicContact CB-CE 4.1Å; R73-E177 IonicContact NH2-OE1 3.87Å; R73-E177 PolarHBondContact NH2-OE1 3.23Å
74R93.7Very high94.8Very high51 Ų5144.7 Ų44.719%0.19221%0.214CC..Hα-helixtrans-69.2-38.8179.6-176.667.570.8140.1-0.6112.4R70 I71 L72 G76 Y135 W176 E177 F180 E181R70-R74 PolarHBondContact O-N 3.3Å; R70-R74 VanDerWaalsContact O-N 3.09Å; I71-R74 PolarHBondContact O-N 2.86Å; L72-R74 PolarHBondContact O-N 2.88Å; R74-G76 VanDerWaalsContact C-N 3.33Å; R74-Y135 HydrophobicContact CG-CD1 3.85Å; R74-Y135 HydrophobicContact CG-CE1 3.84Å; R74-Y135 HydrophobicContact CG-CG 4.23Å; R74-W176 HydrophobicContact CB-CH2 3.7Å; R74-W176 HydrophobicContact CB-CZ3 4.12Å; R74-W176 HydrophobicContact CG-CH2 3.57Å; R74-W176 HydrophobicContact CG-CZ2 4.5Å; R74-W176 HydrophobicContact CG-CZ3 4.1Å; R74-E177 PolarHBondContact NH2-O 3.13Å; R74-F180 VanDerWaalsContact NH1-CB 3.31Å; R74-E181 IonicContact NH2-OE1 3.85Å
75L95.2Very high95Very high4 Ų445.6 Ų45.62%0.02122%0.221CC..Hα-helixtrans-70.2-31.4-179.8-64177.3000112.1I71 L72 G77 V81 H131 V132 Y135 F161I71-L75 HydrophobicContact CG2-CD1 3.45Å; I71-L75 VanDerWaalsContact CG2-CD1 3.45Å; I71-L75 HydrophobicContact CG2-CG 3.99Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 3.29Å; L72-L75 PolarHBondContact O-N 3.37Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 2.84Å; L75-V81 HydrophobicContact CB-CG1 4.06Å; L75-V81 HydrophobicContact CD1-CG1 3.85Å; L75-H131 PolarHBondContact O-NE2 3.36Å; L75-V132 HydrophobicContact CD1-CG2 3.85Å; L75-V132 HydrophobicContact CD2-CB 4.47Å; L75-V132 HydrophobicContact CD2-CG2 4.18Å; L75-Y135 HydrophobicContact CD2-CD2 3.71Å; L75-Y135 HydrophobicContact CD2-CE2 4.06Å; L75-F161 HydrophobicContact CD1-CD1 4.1Å; L75-F161 HydrophobicContact CD1-CE1 3.37Å; L75-F161 HydrophobicContact CD1-CE2 4.28Å; L75-F161 HydrophobicContact CD1-CZ 3.47Å; L75-F161 VanDerWaalsContact CD1-CZ 3.47Å
76G93.7Very high95.1Very high35 Ų3547.7 Ų47.736%0.36124%0.235SC..THydrogen-bonded Turntrans65.422.6165.600000115.2L72 R74 K78L72-G76 PolarHBondContact O-N 2.76Å; R74-G76 VanDerWaalsContact C-N 3.33Å; G76-K78 PolarHBondContact O-N 2.68Å
77G94.1Very high95.2Very high28 Ų2845.3 Ų45.329%0.28923%0.229SC..THydrogen-bonded Turntrans72.223175.300000115.7L75 V81L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 2.84Å; G77-V81 CarbonylContact C-O 3.55Å; G77-V81 VanDerWaalsContact CA-O 3.29Å; G77-V81 WeakPolarHBondContact CA-O 3.07Å
78K94.9Very high95.4Very high125 Ų12547.5 Ų47.554%0.54324%0.24SC..  trans-97.7157.6-176.8-60.9-178.3-178.9179.40112.1G76 N80 V81G76-K78 PolarHBondContact O-N 2.68Å; K78-N80 PolarHBondContact O-N 2.87Å; K78-V81 WeakPolarHBondContact O-CB 3.03Å; K78-V81 PolarHBondContact O-N 3.25Å; K78-V81 VanDerWaalsContact O-N 3.09Å
79H95.8Very high95.4Very high107 Ų10755.7 Ų55.750%0.49527%0.271SS..THydrogen-bonded Turntrans53.250.1170.1-57-67.9000114.1V81 A128 H131H79-V81 VanDerWaalsContact C-N 3.27Å; H79-V81 PolarHBondContact O-N 3.03Å; H79-A128 WeakPolarHBondContact O-CA 3.47Å; H79-A128 WeakPolarHBondContact O-CB 3.07Å; H79-A128 PolarHBondContact O-N 3.42Å; H79-H131 HydrophobicContact CB-CB 3.87Å; H79-H131 AromaticContact CD2-CG 3.73Å; H79-H131 AromaticContact CD2-ND1 3.58Å
80N97.9Very high95.3Very high47 Ų4754.8 Ų54.825%0.25127%0.266SS..THydrogen-bonded Turntrans66.821-179.4-54.597.9000114.4K78 A128 F147 F156 F157 L158K78-N80 PolarHBondContact O-N 2.87Å; N80-A128 HydrophobicContact CB-CB 4.14Å; N80-F147 HydrophobicContact CB-CE2 4.46Å; N80-F156 WeakPolarHBondContact CA-O 3.47Å; N80-F156 VanDerWaalsContact CB-O 3.23Å; N80-F156 WeakPolarHBondContact CB-O 3.32Å; N80-F156 PolarHBondContact ND2-O 3.02Å; N80-F157 CarbonylContact O-C 3.6Å; N80-F157 VanDerWaalsContact O-CA 3.31Å; N80-F157 WeakPolarHBondContact O-CA 3.18Å; N80-L158 PolarHBondContact O-N 3.06Å
81V98.1Very high95.1Very high1 Ų160.1 Ų60.11%0.00629%0.286CS..BIsolated β-bridgetrans-97.2138.9166.6177.60000109.6L75 G77 K78 H79 A128 V132 F161L75-V81 HydrophobicContact CB-CG1 4.06Å; L75-V81 HydrophobicContact CD1-CG1 3.85Å; G77-V81 CarbonylContact C-O 3.55Å; G77-V81 VanDerWaalsContact CA-O 3.29Å; G77-V81 WeakPolarHBondContact CA-O 3.07Å; K78-V81 WeakPolarHBondContact O-CB 3.03Å; K78-V81 PolarHBondContact O-N 3.25Å; K78-V81 VanDerWaalsContact O-N 3.09Å; H79-V81 VanDerWaalsContact C-N 3.27Å; H79-V81 PolarHBondContact O-N 3.03Å; V81-A128 HydrophobicContact CG2-CB 4.05Å; V81-V132 HydrophobicContact CG2-CG2 3.92Å; V81-F161 HydrophobicContact CG1-CE2 3.75Å; V81-F161 HydrophobicContact CG1-CZ 3.66Å
82I97.2Very high94.9Very high3 Ų366 Ų662%0.01532%0.317CS..PPolyproline II helixtrans-61.3139.8177.3-166.362.1000112.2L72 M98 P99 I101 L158 V159L72-I82 HydrophobicContact CD2-CG2 3.92Å; I82-M98 HydrophobicContact CG1-CB 4.2Å; I82-M98 HydrophobicContact CG1-CG 4.43Å; I82-M98 HydrophobicContact CG1-SD 4.12Å; I82-M98 HydrophobicContact CG2-SD 4.3Å; I82-P99 HydrophobicContact CD1-CB 4.27Å; I82-P99 HydrophobicContact CD1-CG 4.24Å; I82-I101 HydrophobicContact CD1-CD1 4.22Å; I82-I101 HydrophobicContact CD1-CG1 4.18Å; I82-L158 WeakPolarHBondContact CG2-O 3.26Å; I82-L158 PolarHBondContact N-O 2.9Å; I82-V159 HydrophobicContact CB-CG1 3.92Å; I82-V159 HydrophobicContact CG1-CG1 4.22Å; I82-V159 HydrophobicContact CG2-CB 4.39Å; I82-V159 HydrophobicContact CG2-CG1 4.15Å
83Q96.3Very high94.7Very high94 Ų9466.3 Ų66.344%0.43932%0.319SS..PPolyproline II helixtrans-86.8131.9174.1-168.1175.712.400110.4M98 P99Q83-M98 WeakPolarHBondContact O-CG 3.5Å; Q83-P99 HydrophobicContact CB-CG 4.48Å; Q83-P99 WeakPolarHBondContact O-CD 3.42Å
84M96.5Very high94.7Very high31 Ų3159.9 Ų59.915%0.15330%0.297CS..PPolyproline II helixtrans-85.1121.1161.1179.7-17876.100108.8I69 L72 R73 A87 I96I69-M84 HydrophobicContact CB-SD 4.48Å; I69-M84 HydrophobicContact CG1-SD 4.36Å; I69-M84 HydrophobicContact CG2-CE 3.95Å; I69-M84 HydrophobicContact CG2-SD 4.14Å; L72-M84 HydrophobicContact CB-CB 3.86Å; L72-M84 HydrophobicContact CB-SD 4.27Å; L72-M84 HydrophobicContact CD1-CB 4.25Å; L72-M84 HydrophobicContact CD1-SD 4.42Å; R73-M84 HydrophobicContact CB-CE 4.1Å; M84-A87 HydrophobicContact SD-CB 4.09Å; M84-I96 HydrophobicContact CB-CG2 4.46Å; M84-I96 HydrophobicContact CG-CG2 3.65Å; M84-I96 HydrophobicContact SD-CG2 3.86Å
85H94.5Very high94.8Very high79 Ų7957.5 Ų57.537%0.36629%0.287SS..  trans-76.7-49.9173.7-68.2169.3000110.8Y51 L97Y51-H85 AromaticContact CD1-CE1 3.83Å; Y51-H85 AromaticContact CD1-ND1 3.65Å; Y51-H85 AromaticContact CE1-CE1 3.63Å; Y51-H85 AromaticContact CE1-ND1 3.61Å; H85-L97 HydrophobicContact CB-CD2 4.46Å; H85-L97 PolarHBondContact N-O 2.92Å
86T95.5Very high94.9Very high62 Ų6257.3 Ų57.338%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-158165176.8-169.90000110.4L97T86-L97 HydrophobicContact CG2-CB 3.89Å; T86-L97 HydrophobicContact CG2-CD2 4.08Å; T86-L97 PolarHBondContact N-O 3.18Å; T86-L97 PolarHBondContact O-N 3.4Å
87A96.1Very high95Very high34 Ų3456.4 Ų56.428%0.28127%0.273SS..EExtended strand (participates in β ladder)trans-130.4141.5167.900000109.1I69 M84 F95 I96I69-A87 HydrophobicContact CD1-CB 3.78Å; I69-A87 HydrophobicContact CG1-CB 4.13Å; M84-A87 HydrophobicContact SD-CB 4.09Å; A87-F95 CarbonylContact C-O 3.58Å; A87-F95 VanDerWaalsContact CA-O 3.22Å; A87-F95 WeakPolarHBondContact CA-O 3.43Å; A87-I96 HydrophobicContact CB-CG1 4.29Å
88M94.9Very high95.1Very high49 Ų4955.9 Ų55.924%0.24126%0.264CS..EExtended strand (participates in β ladder)trans-129.9141.6-177.2-59.5176.4-67.900109.2I18 F22 V94 F95I18-M88 HydrophobicContact CD1-CE 3.71Å; F22-M88 HydrophobicContact CE2-CE 4.42Å; M88-V94 WeakPolarHBondContact O-CA 3.27Å; M88-F95 PolarHBondContact N-O 2.94Å; M88-F95 PolarHBondContact O-N 3.26Å
89R94.7Very high95.1Very high180 Ų18051.7 Ų51.768%0.67925%0.249SC*.EExtended strand (participates in β ladder)trans-110.4126.1170.6-178.4179.8173.51790.6108.9R91 H93 V94R89-R91 PolarHBondContact NE-O 3.13Å; R89-R91 VanDerWaalsContact NE-O 3.1Å; R89-H93 WeakPolarHBondContact CA-O 3.29Å; R89-V94 HydrophobicContact CB-CG2 4.42Å; R89-V94 HydrophobicContact CG-CG2 4.27Å
90I93.4Very high95Very high21 Ų2149 Ų4911%0.10824%0.236CC..EExtended strand (participates in β ladder)trans-128.6113.5175-56.8161.7000106.9F15 Q17 I18 D92 H93 F95F15-I90 HydrophobicContact CD1-CB 4.41Å; F15-I90 HydrophobicContact CD1-CG2 3.93Å; Q17-I90 HydrophobicContact CB-CD1 3.89Å; I18-I90 HydrophobicContact CD1-CD1 3.57Å; I18-I90 HydrophobicContact CG1-CD1 3.63Å; I90-D92 PolarHBondContact O-N 3.23Å; I90-H93 PolarHBondContact N-O 3.26Å; I90-H93 PolarHBondContact O-N 3.24Å; I90-F95 HydrophobicContact CB-CE2 4.08Å; I90-F95 HydrophobicContact CD1-CD2 4.04Å; I90-F95 HydrophobicContact CD1-CE2 3.93Å; I90-F95 HydrophobicContact CG1-CD2 4.43Å; I90-F95 HydrophobicContact CG1-CE2 4.34Å
91R90.3Very high94.8Very high154 Ų15447.6 Ų47.658%0.58123%0.228SC*.THydrogen-bonded Turntrans55.5-125.6-171-53.5174.2-178.4154.31110.3R89 H93R89-R91 PolarHBondContact NE-O 3.13Å; R89-R91 VanDerWaalsContact NE-O 3.1Å; R91-H93 VanDerWaalsContact C-N 3.34Å
92D89.1Confident94.6Very high123 Ų12350.8 Ų50.866%0.65825%0.245SC*.THydrogen-bonded Turntrans-91.97.6178.6-55.8-42000113.5I90I90-D92 PolarHBondContact O-N 3.23Å
93H91.6Very high94.4Very high11 Ų1156 Ų565%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-105.9141.3-179.6-67.1-89.4000111.3Y11 F15 M55 P58 R89 I90 R91 F95Y11-H93 AromaticContact CE1-CE1 3.54Å; Y11-H93 AromaticContact CE1-NE2 3.82Å; Y11-H93 AromaticContact CZ-NE2 3.91Å; Y11-H93 PolarHBondContact OH-NE2 3.02Å; Y11-H93 VanDerWaalsContact OH-NE2 3.1Å; F15-H93 HydrophobicContact CE1-CB 4.26Å; F15-H93 AromaticContact CE1-CD2 3.55Å; F15-H93 HydrophobicContact CZ-CB 4.41Å; F15-H93 AromaticContact CZ-CD2 3.34Å; F15-H93 WeakPolarHBondContact CZ-CD2 3.38Å; F15-H93 AromaticContact CZ-CG 3.79Å; F15-H93 AromaticContact CZ-NE2 3.6Å; M55-H93 HydrophobicContact CE-CB 4.43Å; M55-H93 WeakPolarHBondContact CE-ND1 3.32Å; P58-H93 WeakPolarHBondContact CG-CE1 3.44Å; P58-H93 WeakPolarHBondContact CG-ND1 3.41Å; R89-H93 WeakPolarHBondContact CA-O 3.29Å; I90-H93 PolarHBondContact N-O 3.26Å; I90-H93 PolarHBondContact O-N 3.24Å; R91-H93 VanDerWaalsContact C-N 3.34Å; H93-F95 HydrophobicContact CB-CD2 4.41Å; H93-F95 HydrophobicContact CB-CE2 3.56Å; H93-F95 HydrophobicContact CB-CZ 3.87Å
94V95.3Very high94.2Very high19 Ų1953.1 Ų53.112%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-115.4132.4172.1179.60000108.9I56 I65 I69 M88 R89I56-V94 HydrophobicContact CB-CB 4.38Å; I56-V94 HydrophobicContact CG1-CB 4.21Å; I56-V94 HydrophobicContact CG1-CG1 4.45Å; I56-V94 WeakPolarHBondContact CG1-O 3.38Å; I56-V94 PolarHBondContact N-O 2.78Å; I65-V94 HydrophobicContact CD1-CG2 4.3Å; I65-V94 HydrophobicContact CG2-CB 3.95Å; I65-V94 HydrophobicContact CG2-CG1 3.7Å; I65-V94 HydrophobicContact CG2-CG2 4.04Å; I69-V94 HydrophobicContact CD1-CG1 4.09Å; M88-V94 WeakPolarHBondContact O-CA 3.27Å; R89-V94 HydrophobicContact CB-CG2 4.42Å; R89-V94 HydrophobicContact CG-CG2 4.27Å
95F95.7Very high94Very high0 Ų053.6 Ų53.60%026%0.258CS..EExtended strand (participates in β ladder)trans-118.4130.8180-59.8-91.3000109.1I12 F15 I18 L53 K54 M55 A87 M88 I90 H93I12-F95 HydrophobicContact CD1-CD1 4.46Å; I12-F95 HydrophobicContact CD1-CE1 3.67Å; I12-F95 HydrophobicContact CD1-CZ 4.45Å; F15-F95 HydrophobicContact CD1-CE2 4.38Å; F15-F95 HydrophobicContact CD1-CZ 4.12Å; F15-F95 HydrophobicContact CD2-CZ 4.21Å; F15-F95 HydrophobicContact CE1-CZ 4.26Å; F15-F95 HydrophobicContact CE2-CZ 4.37Å; F15-F95 HydrophobicContact CG-CZ 4.1Å; F15-F95 HydrophobicContact CZ-CZ 4.39Å; I18-F95 HydrophobicContact CD1-CD1 4.43Å; I18-F95 HydrophobicContact CD1-CD2 4.37Å; I18-F95 HydrophobicContact CD1-CG 4.23Å; I18-F95 HydrophobicContact CG1-CE1 4.35Å; I18-F95 HydrophobicContact CG1-CE2 4.5Å; I18-F95 HydrophobicContact CG1-CZ 4.34Å; L53-F95 HydrophobicContact CD1-CB 3.92Å; L53-F95 HydrophobicContact CD1-CD1 4.39Å; L53-F95 HydrophobicContact CD2-CD1 4.08Å; L53-F95 HydrophobicContact CG-CD1 4.16Å; K54-F95 CarbonylContact O-C 3.48Å; K54-F95 WeakPolarHBondContact O-CA 3.31Å; M55-F95 HydrophobicContact CB-CD1 4.01Å; M55-F95 HydrophobicContact CB-CE1 3.94Å; M55-F95 HydrophobicContact CE-CE1 3.98Å; M55-F95 HydrophobicContact CE-CZ 3.89Å; M55-F95 HydrophobicContact CG-CD1 4.08Å; M55-F95 HydrophobicContact CG-CE1 3.58Å; M55-F95 HydrophobicContact CG-CZ 4.22Å; M55-F95 HydrophobicContact SD-CE1 3.82Å; M55-F95 HydrophobicContact SD-CZ 4.34Å; A87-F95 CarbonylContact C-O 3.58Å; A87-F95 VanDerWaalsContact CA-O 3.22Å; A87-F95 WeakPolarHBondContact CA-O 3.43Å; M88-F95 PolarHBondContact N-O 2.94Å; M88-F95 PolarHBondContact O-N 3.26Å; I90-F95 HydrophobicContact CB-CE2 4.08Å; I90-F95 HydrophobicContact CD1-CD2 4.04Å; I90-F95 HydrophobicContact CD1-CE2 3.93Å; I90-F95 HydrophobicContact CG1-CD2 4.43Å; I90-F95 HydrophobicContact CG1-CE2 4.34Å; H93-F95 HydrophobicContact CB-CD2 4.41Å; H93-F95 HydrophobicContact CB-CE2 3.56Å; H93-F95 HydrophobicContact CB-CZ 3.87Å
96I96.6Very high93.9Very high0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-116.2119.9177.1-53.8177.9000108K54 I56 E68 I69 M84 A87 M98K54-I96 HydrophobicContact CB-CB 4.27Å; K54-I96 PolarHBondContact N-O 3.26Å; K54-I96 PolarHBondContact O-N 3.19Å; I56-I96 HydrophobicContact CD1-CD1 4.27Å; E68-I96 HydrophobicContact CG-CD1 4.35Å; I69-I96 HydrophobicContact CG1-CD1 4.08Å; I69-I96 HydrophobicContact CG1-CG1 4.49Å; M84-I96 HydrophobicContact CB-CG2 4.46Å; M84-I96 HydrophobicContact CG-CG2 3.65Å; M84-I96 HydrophobicContact SD-CG2 3.86Å; A87-I96 HydrophobicContact CB-CG1 4.29Å; I96-M98 HydrophobicContact CG2-CE 4.49Å; I96-M98 HydrophobicContact CG2-CG 4.08Å; I96-M98 HydrophobicContact CG2-SD 4.24Å
97L96.5Very high93.7Very high16 Ų1652 Ų528%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-95.4127.3178.9-170.173.9000110F22 V39 Y51 L53 H85 T86F22-L97 HydrophobicContact CE1-CD1 4.19Å; F22-L97 HydrophobicContact CE1-CD2 4.37Å; F22-L97 HydrophobicContact CZ-CD1 4.08Å; F22-L97 HydrophobicContact CZ-CD2 3.97Å; V39-L97 HydrophobicContact CG2-CD1 4.16Å; Y51-L97 HydrophobicContact CG-CD1 4.34Å; L53-L97 HydrophobicContact CD1-CD1 4.08Å; H85-L97 HydrophobicContact CB-CD2 4.46Å; H85-L97 PolarHBondContact N-O 2.92Å; T86-L97 HydrophobicContact CG2-CB 3.89Å; T86-L97 HydrophobicContact CG2-CD2 4.08Å; T86-L97 PolarHBondContact N-O 3.18Å; T86-L97 PolarHBondContact O-N 3.4Å
98M96.3Very high93.4Very high18 Ų1855.8 Ų55.89%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-138.6165.8-176.8-63.5173.8-69.300110.2Y51 A52 K54 I82 Q83 I96 F100Y51-M98 WeakPolarHBondContact CA-O 3.17Å; A52-M98 HydrophobicContact CB-CB 4.47Å; A52-M98 PolarHBondContact N-O 2.92Å; A52-M98 PolarHBondContact O-N 3.36Å; K54-M98 HydrophobicContact CB-CE 3.74Å; K54-M98 HydrophobicContact CD-CE 4.27Å; I82-M98 HydrophobicContact CG1-CB 4.2Å; I82-M98 HydrophobicContact CG1-CG 4.43Å; I82-M98 HydrophobicContact CG1-SD 4.12Å; I82-M98 HydrophobicContact CG2-SD 4.3Å; Q83-M98 WeakPolarHBondContact O-CG 3.5Å; I96-M98 HydrophobicContact CG2-CE 4.49Å; I96-M98 HydrophobicContact CG2-CG 4.08Å; I96-M98 HydrophobicContact CG2-SD 4.24Å; M98-F100 PolarHBondContact O-N 3.17Å
99P94.4Very high93.1Very high36 Ų3654 Ų5423%0.23426%0.255CS..EExtended strand (participates in β ladder)trans-54.5136165.3-2433.2000111.4I82 Q83 I101I82-P99 HydrophobicContact CD1-CB 4.27Å; I82-P99 HydrophobicContact CD1-CG 4.24Å; Q83-P99 HydrophobicContact CB-CG 4.48Å; Q83-P99 WeakPolarHBondContact O-CD 3.42Å; P99-I101 HydrophobicContact CB-CD1 4.32Å
100F94.5Very high93Very high52 Ų5245.8 Ų45.823%0.22822%0.224CC..  trans-76.3129.7167.8-176.1-102.8000109.3A38 Y50 A52 M98 D102A38-F100 HydrophobicContact CB-CD2 3.79Å; A38-F100 HydrophobicContact CB-CE2 3.56Å; A38-F100 HydrophobicContact CB-CZ 4.16Å; Y50-F100 VanDerWaalsContact C-CB 3.49Å; Y50-F100 VanDerWaalsContact O-CB 3.31Å; Y50-F100 WeakPolarHBondContact O-CB 3.47Å; A52-F100 HydrophobicContact CB-CD2 4.35Å; M98-F100 PolarHBondContact O-N 3.17Å; F100-D102 HydrophobicContact CD1-CB 4.45Å; F100-D102 HydrophobicContact CE1-CB 3.92Å
101I94.2Very high93Very high16 Ų1646 Ų468%0.08223%0.225CC..  trans-108.4113.8175.1-50.7-56.5000107.6I82 P99 Y103 L148 D150 F157I82-I101 HydrophobicContact CD1-CD1 4.22Å; I82-I101 HydrophobicContact CD1-CG1 4.18Å; P99-I101 HydrophobicContact CB-CD1 4.32Å; I101-Y103 PolarHBondContact O-N 2.82Å; I101-Y103 VanDerWaalsContact O-N 3.14Å; I101-L148 HydrophobicContact CB-CD1 4.12Å; I101-L148 HydrophobicContact CG2-CB 4.04Å; I101-L148 HydrophobicContact CG2-CD1 4.43Å; I101-D150 HydrophobicContact CG2-CB 3.93Å; I101-F157 HydrophobicContact CD1-CD2 3.66Å; I101-F157 HydrophobicContact CD1-CE2 3.84Å; I101-F157 HydrophobicContact CD1-CG 4.1Å; I101-F157 HydrophobicContact CD1-CZ 4.42Å; I101-F157 HydrophobicContact CG1-CD2 4.13Å; I101-F157 HydrophobicContact CG1-CG 4.43Å; I101-F157 HydrophobicContact CG2-CD2 4.2Å
102D92.6Very high93Very high69 Ų6940.4 Ų40.437%0.36921%0.208SC..  trans-82.889.6174.3-160.324.1000107.8R27 F100 Q151R27-D102 IonicContact NH1-OD1 3.53Å; R27-D102 PolarHBondContact NH1-OD1 3.15Å; R27-D102 VanDerWaalsContact NH1-OD1 3.11Å; R27-D102 IonicContact NH1-OD2 2.85Å; R27-D102 PolarHBondContact NH1-OD2 3.35Å; F100-D102 HydrophobicContact CD1-CB 4.45Å; F100-D102 HydrophobicContact CE1-CB 3.92Å; D102-Q151 VanDerWaalsContact O-CB 3.25Å; D102-Q151 WeakPolarHBondContact O-CB 3.4Å; D102-Q151 PolarHBondContact O-N 3.14Å
103Y93.4Very high93.1Very high113 Ų11334.6 Ų34.644%0.44318%0.177SC..BIsolated β-bridgetrans-98.2152.1-16471.3-88.1000113.6I101 P105 L148 M149I101-Y103 PolarHBondContact O-N 2.82Å; I101-Y103 VanDerWaalsContact O-N 3.14Å; Y103-P105 HydrophobicContact CE2-CG 4.39Å; Y103-L148 HydrophobicContact CD1-CD1 4.05Å; Y103-L148 HydrophobicContact CD1-CD2 4.11Å; Y103-L148 HydrophobicContact CD2-CD2 3.99Å; Y103-L148 HydrophobicContact CE1-CD2 4.44Å; Y103-L148 HydrophobicContact CE2-CD2 4.33Å; Y103-L148 HydrophobicContact CG-CB 4.33Å; Y103-L148 HydrophobicContact CG-CD1 4.38Å; Y103-L148 HydrophobicContact CG-CD2 3.88Å; Y103-L148 HydrophobicContact CG-CG 4.42Å; Y103-M149 WeakPolarHBondContact CA-O 3.31Å
104I91.7Very high93.3Very high32 Ų3237.2 Ų37.216%0.16419%0.192CC..PPolyproline II helixtrans-86123.1170-61.1166.9000108.8F106 E108 M149 Q151I104-F106 PolarHBondContact O-N 3.39Å; I104-E108 HydrophobicContact CG2-CB 4.26Å; I104-M149 HydrophobicContact CB-CE 4.01Å; I104-M149 HydrophobicContact CD1-CE 3.73Å; I104-M149 HydrophobicContact CG1-CE 4.37Å; I104-M149 HydrophobicContact CG2-CE 4.5Å; I104-M149 PolarHBondContact N-O 2.86Å; I104-Q151 HydrophobicContact CD1-CB 4.25Å; I104-Q151 HydrophobicContact CD1-CG 4.14Å; I104-Q151 HydrophobicContact CG1-CB 3.96Å; I104-Q151 HydrophobicContact CG1-CG 4.09Å
105P92.5Very high93.2Very high42 Ų4238.2 Ų38.227%0.27320%0.195SC..PPolyproline II helixtrans-56.1136176.1-26.435.8000111.9Y103 T107 E108 Y109Y103-P105 HydrophobicContact CE2-CG 4.39Å; P105-T107 PolarHBondContact O-N 3.1Å; P105-T107 VanDerWaalsContact O-N 3.09Å; P105-E108 HydrophobicContact CB-CG 4.44Å; P105-E108 PolarHBondContact O-N 3.27Å; P105-Y109 PolarHBondContact O-N 2.84Å
106F93.1Very high93.2Very high20 Ų2045.1 Ų45.19%0.08823%0.225CC..Hα-helixtrans-56.4-34.3-177.2-175.4-105.6000113I104 E108 Y109 Y110 Y121 P144 I328 F332 Y337I104-F106 PolarHBondContact O-N 3.39Å; F106-E108 PolarHBondContact O-N 2.79Å; F106-Y109 PolarHBondContact O-N 3.42Å; F106-Y109 VanDerWaalsContact O-N 3.12Å; F106-Y110 HydrophobicContact CD1-CG 4.31Å; F106-Y110 VanDerWaalsContact CE1-CB 3.48Å; F106-Y110 HydrophobicContact CE1-CD2 4.36Å; F106-Y110 AromaticContact CE1-CG 3.89Å; F106-Y110 HydrophobicContact CE1-CG 3.89Å; F106-Y110 HydrophobicContact CZ-CG 4.25Å; F106-Y110 WeakPolarHBondContact O-CB 3.36Å; F106-Y110 VanDerWaalsContact O-CD1 3.25Å; F106-Y110 WeakPolarHBondContact O-CD1 3.34Å; F106-Y110 PolarHBondContact O-N 3.09Å; F106-Y121 HydrophobicContact CD2-CE2 4.33Å; F106-Y121 HydrophobicContact CE2-CE2 4.21Å; F106-P144 HydrophobicContact CB-CB 3.55Å; F106-P144 HydrophobicContact CD1-CB 3.63Å; F106-P144 HydrophobicContact CD1-CG 3.79Å; F106-P144 HydrophobicContact CD2-CB 3.66Å; F106-P144 HydrophobicContact CD2-CG 4.25Å; F106-P144 HydrophobicContact CE1-CB 4.18Å; F106-P144 HydrophobicContact CE1-CG 3.88Å; F106-P144 HydrophobicContact CE2-CB 4.19Å; F106-P144 HydrophobicContact CE2-CG 4.3Å; F106-P144 HydrophobicContact CG-CB 3.32Å; F106-P144 HydrophobicContact CG-CG 3.97Å; F106-P144 HydrophobicContact CZ-CB 4.43Å; F106-P144 HydrophobicContact CZ-CG 4.13Å; F106-I328 HydrophobicContact CE2-CG2 4.49Å; F106-I328 HydrophobicContact CZ-CG2 4.34Å; F106-F332 HydrophobicContact CE2-CE1 4.06Å; F106-F332 AromaticContact CE2-CE2 3.82Å; F106-F332 HydrophobicContact CE2-CE2 3.82Å; F106-F332 AromaticContact CE2-CZ 3.44Å; F106-F332 HydrophobicContact CE2-CZ 3.44Å; F106-F332 VanDerWaalsContact CE2-CZ 3.44Å; F106-F332 HydrophobicContact CZ-CD2 4.49Å; F106-F332 HydrophobicContact CZ-CE1 4.26Å; F106-F332 AromaticContact CZ-CE2 3.98Å; F106-F332 HydrophobicContact CZ-CE2 3.98Å; F106-F332 AromaticContact CZ-CZ 3.88Å; F106-F332 HydrophobicContact CZ-CZ 3.88Å; F106-Y337 AromaticContact CD1-CD1 3.89Å; F106-Y337 HydrophobicContact CD1-CD1 3.89Å; F106-Y337 AromaticContact CD1-CD2 3.8Å; F106-Y337 HydrophobicContact CD1-CD2 3.8Å; F106-Y337 AromaticContact CD1-CE1 3.87Å; F106-Y337 HydrophobicContact CD1-CE1 3.87Å; F106-Y337 AromaticContact CD1-CE2 3.78Å; F106-Y337 HydrophobicContact CD1-CE2 3.78Å; F106-Y337 AromaticContact CD1-CG 3.84Å; F106-Y337 HydrophobicContact CD1-CG 3.84Å; F106-Y337 AromaticContact CD1-CZ 3.8Å; F106-Y337 HydrophobicContact CE1-CD1 4.26Å; F106-Y337 AromaticContact CE1-CD2 3.5Å; F106-Y337 HydrophobicContact CE1-CD2 3.5Å; F106-Y337 VanDerWaalsContact CE1-CD2 3.5Å; F106-Y337 AromaticContact CE1-CE2 3.83Å; F106-Y337 HydrophobicContact CE1-CE2 3.83Å; F106-Y337 AromaticContact CE1-CG 3.72Å; F106-Y337 HydrophobicContact CE1-CG 3.72Å
107T91.5Very high93.1Very high87 Ų8748.1 Ų48.153%0.53424%0.239SC..Hα-helixtrans-59.2-24.8176.942.90000114.1P105 Y110 Y337P105-T107 PolarHBondContact O-N 3.1Å; P105-T107 VanDerWaalsContact O-N 3.09Å; T107-Y110 WeakPolarHBondContact O-CE1 3.42Å; T107-Y337 HydrophobicContact CG2-CD1 3.92Å; T107-Y337 HydrophobicContact CG2-CE1 3.83Å
108E89.5Confident93.1Very high114 Ų11447.5 Ų47.553%0.53324%0.236SC..Hα-helixtrans-93.6-23.1178.4-63.9174.4-147.900112.3I104 P105 F106 T112I104-E108 HydrophobicContact CG2-CB 4.26Å; P105-E108 HydrophobicContact CB-CG 4.44Å; P105-E108 PolarHBondContact O-N 3.27Å; F106-E108 PolarHBondContact O-N 2.79Å; E108-T112 WeakPolarHBondContact O-CG2 3.45Å; E108-T112 PolarHBondContact O-OG1 3.37Å
109Y88Confident93.2Very high12 Ų1248 Ų485%0.04724%0.237CC..Hα-helixtrans-98.3-35.3-173.9175.9-117.2000114.4P105 F106 L111 T112 A113 E117 Y121 M149P105-Y109 PolarHBondContact O-N 2.84Å; F106-Y109 PolarHBondContact O-N 3.42Å; F106-Y109 VanDerWaalsContact O-N 3.12Å; Y109-L111 VanDerWaalsContact C-N 3.28Å; Y109-L111 PolarHBondContact O-N 3.32Å; Y109-L111 VanDerWaalsContact O-N 3.11Å; Y109-T112 WeakPolarHBondContact CA-OG1 3.44Å; Y109-T112 PolarHBondContact O-N 3.41Å; Y109-T112 PolarHBondContact O-OG1 3.26Å; Y109-A113 HydrophobicContact CD2-CB 4.49Å; Y109-A113 HydrophobicContact CE1-CB 4.24Å; Y109-A113 HydrophobicContact CE2-CB 3.95Å; Y109-A113 PolarHBondContact O-N 3.35Å; Y109-E117 WeakPolarHBondContact OH-CB 3.44Å; Y109-Y121 HydrophobicContact CE1-CD2 4.04Å; Y109-M149 HydrophobicContact CD1-CE 3.8Å; Y109-M149 HydrophobicContact CD1-SD 4.45Å; Y109-M149 HydrophobicContact CD2-CE 3.41Å; Y109-M149 VanDerWaalsContact CD2-CE 3.41Å; Y109-M149 HydrophobicContact CD2-SD 4.41Å; Y109-M149 HydrophobicContact CE1-CE 3.95Å; Y109-M149 HydrophobicContact CE1-SD 4.03Å; Y109-M149 HydrophobicContact CE2-CE 3.59Å; Y109-M149 HydrophobicContact CE2-SD 3.98Å; Y109-M149 HydrophobicContact CG-CE 3.5Å
110Y92.3Very high93.3Very high7 Ų750.6 Ų50.63%0.02724%0.242CC..THydrogen-bonded Turntrans-66.3-22.9-165.482.8-68.2000115.8F106 T107 F332 G335 K404F106-Y110 HydrophobicContact CD1-CG 4.31Å; F106-Y110 VanDerWaalsContact CE1-CB 3.48Å; F106-Y110 HydrophobicContact CE1-CD2 4.36Å; F106-Y110 AromaticContact CE1-CG 3.89Å; F106-Y110 HydrophobicContact CE1-CG 3.89Å; F106-Y110 HydrophobicContact CZ-CG 4.25Å; F106-Y110 WeakPolarHBondContact O-CB 3.36Å; F106-Y110 VanDerWaalsContact O-CD1 3.25Å; F106-Y110 WeakPolarHBondContact O-CD1 3.34Å; F106-Y110 PolarHBondContact O-N 3.09Å; T107-Y110 WeakPolarHBondContact O-CE1 3.42Å; Y110-F332 WeakPolarHBondContact O-CD1 3.22Å; Y110-G335 WeakPolarHBondContact CE2-O 3.29Å; Y110-K404 WeakPolarHBondContact OH-CD 3.37Å; Y110-K404 WeakPolarHBondContact OH-CE 3.32Å; Y110-K404 PolarHBondContact OH-NZ 3.45Å
111L93Very high93.4Very high26 Ų2648.2 Ų48.214%0.13623%0.232CC..THydrogen-bonded Turntrans-96.6-15173.7-71.5176000113.5Y109 K404 F405 I440 A441Y109-L111 VanDerWaalsContact C-N 3.28Å; Y109-L111 PolarHBondContact O-N 3.32Å; Y109-L111 VanDerWaalsContact O-N 3.11Å; L111-K404 HydrophobicContact CD1-CB 4.05Å; L111-K404 HydrophobicContact CD1-CD 4.01Å; L111-F405 HydrophobicContact CD2-CE1 3.9Å; L111-F405 HydrophobicContact CD2-CZ 3.65Å; L111-I440 HydrophobicContact CB-CG1 4.29Å; L111-I440 HydrophobicContact CD1-CD1 4.29Å; L111-I440 WeakPolarHBondContact O-CA 3.32Å; L111-A441 PolarHBondContact O-N 3.5Å
112T91.8Very high93.6Very high35 Ų3547.5 Ų47.522%0.21523%0.228CC..THydrogen-bonded Turntrans-92.1-11.5178.459.80000112.1E108 Y109 P438 A441E108-T112 WeakPolarHBondContact O-CG2 3.45Å; E108-T112 PolarHBondContact O-OG1 3.37Å; Y109-T112 WeakPolarHBondContact CA-OG1 3.44Å; Y109-T112 PolarHBondContact O-N 3.41Å; Y109-T112 PolarHBondContact O-OG1 3.26Å; T112-P438 HydrophobicContact CG2-CB 3.48Å; T112-P438 VanDerWaalsContact CG2-CB 3.48Å; T112-A441 WeakPolarHBondContact O-CB 3.5Å
113A91.7Very high93.9Very high2 Ų248.8 Ų48.82%0.01723%0.227CC..  trans-74.1125.1175.500000112.1Y109 E117 I118 F332Y109-A113 HydrophobicContact CD2-CB 4.49Å; Y109-A113 HydrophobicContact CE1-CB 4.24Å; Y109-A113 HydrophobicContact CE2-CB 3.95Å; Y109-A113 PolarHBondContact O-N 3.35Å; A113-E117 VanDerWaalsContact CA-OE2 3.31Å; A113-E117 WeakPolarHBondContact CA-OE2 3.45Å; A113-E117 HydrophobicContact CB-CB 3.95Å; A113-I118 HydrophobicContact CB-CG1 3.91Å; A113-F332 HydrophobicContact CB-CE1 4.13Å
114D94Very high94.1Very high65 Ų6543.9 Ų43.935%0.34821%0.21SC..  trans-75.2176.8167.176.611.8000112K116 E117 I118 A441D114-K116 PolarHBondContact O-N 3.23Å; D114-K116 WeakPolarHBondContact OD1-CA 3.37Å; D114-K116 VanDerWaalsContact OD1-CB 3.31Å; D114-K116 WeakPolarHBondContact OD1-CB 3.33Å; D114-K116 PolarHBondContact OD1-N 2.98Å; D114-E117 PolarHBondContact N-OE2 3.06Å; D114-E117 PolarHBondContact O-N 3.13Å; D114-E117 WeakPolarHBondContact OD1-CB 3.46Å; D114-E117 WeakPolarHBondContact OD1-CG 3.13Å; D114-E117 PolarHBondContact OD1-N 3.37Å; D114-I118 VanDerWaalsContact O-CG1 3.22Å; D114-I118 WeakPolarHBondContact O-CG1 3.11Å; D114-I118 PolarHBondContact O-N 3.46Å; D114-A441 HydrophobicContact CB-CB 4.29Å
115E94.3Very high94.4Very high40 Ų4042.3 Ų42.319%0.18720%0.202CC..Hα-helixtrans-60.2-33179.5-72.8-166.1-111.600113.7R119 L442 H446 F448 P449E115-R119 WeakPolarHBondContact O-CG 3.21Å; E115-R119 PolarHBondContact O-N 3.09Å; E115-R119 IonicContact OE2-CZ 2.7Å; E115-R119 IonicContact OE2-NH1 3.72Å; E115-R119 IonicContact OE2-NH2 2.7Å; E115-R119 PolarHBondContact OE2-NH2 3.22Å; E115-L442 HydrophobicContact CG-CD1 4.28Å; E115-L442 HydrophobicContact CG-CD2 4.36Å; E115-H446 IonicContact OE1-CE1 3.07Å; E115-H446 PolarHBondContact OE1-CE1 3.43Å; E115-H446 IonicContact OE1-NE2 3.27Å; E115-H446 PolarHBondContact OE1-NE2 3.42Å; E115-F448 HydrophobicContact CG-CD1 4.05Å; E115-F448 HydrophobicContact CG-CE1 3.92Å; E115-P449 WeakPolarHBondContact OE2-CD 3.39Å
116K94.6Very high94.7Very high146 Ų14640.3 Ų40.364%0.63519%0.189SC*.Hα-helixtrans-70.2-42.1179.8179.8-176.2177.2-176.40110.2D114 R119 R120D114-K116 PolarHBondContact O-N 3.23Å; D114-K116 WeakPolarHBondContact OD1-CA 3.37Å; D114-K116 VanDerWaalsContact OD1-CB 3.31Å; D114-K116 WeakPolarHBondContact OD1-CB 3.33Å; D114-K116 PolarHBondContact OD1-N 2.98Å; K116-R119 PolarHBondContact O-N 2.99Å; K116-R120 WeakPolarHBondContact O-CB 3.41Å; K116-R120 PolarHBondContact O-N 3.32Å
117E94.8Very high95Very high63 Ų6340.7 Ų40.729%0.29419%0.194SC..Hα-helixtrans-65.5-42175.2-75.3-170.4117.200112.2Y109 A113 D114 R120 Y121Y109-E117 WeakPolarHBondContact OH-CB 3.44Å; A113-E117 VanDerWaalsContact CA-OE2 3.31Å; A113-E117 WeakPolarHBondContact CA-OE2 3.45Å; A113-E117 HydrophobicContact CB-CB 3.95Å; D114-E117 PolarHBondContact N-OE2 3.06Å; D114-E117 PolarHBondContact O-N 3.13Å; D114-E117 WeakPolarHBondContact OD1-CB 3.46Å; D114-E117 WeakPolarHBondContact OD1-CG 3.13Å; D114-E117 PolarHBondContact OD1-N 3.37Å; E117-R120 WeakPolarHBondContact O-CB 3.5Å; E117-R120 PolarHBondContact O-N 2.76Å; E117-Y121 PolarHBondContact O-N 3.25Å
118I96.9Very high95.3Very high2 Ų236.6 Ų36.61%0.0117%0.169CC..Hα-helixtrans-60-47.5173-65.2164.4000110.3A113 D114 R120 Y121 M122 F329 F332 L442 F448A113-I118 HydrophobicContact CB-CG1 3.91Å; D114-I118 VanDerWaalsContact O-CG1 3.22Å; D114-I118 WeakPolarHBondContact O-CG1 3.11Å; D114-I118 PolarHBondContact O-N 3.46Å; I118-R120 VanDerWaalsContact C-N 3.29Å; I118-R120 PolarHBondContact O-N 3.33Å; I118-Y121 PolarHBondContact O-N 2.97Å; I118-M122 HydrophobicContact CG2-CG 4.27Å; I118-M122 WeakPolarHBondContact O-CB 3.24Å; I118-M122 VanDerWaalsContact O-CG 3.25Å; I118-M122 WeakPolarHBondContact O-CG 3.2Å; I118-M122 PolarHBondContact O-N 2.86Å; I118-F329 HydrophobicContact CG2-CD2 4.32Å; I118-F329 HydrophobicContact CG2-CE2 3.94Å; I118-F332 HydrophobicContact CD1-CB 4.09Å; I118-F332 HydrophobicContact CD1-CD1 4.05Å; I118-F332 HydrophobicContact CD1-CG 4.35Å; I118-F332 HydrophobicContact CG1-CB 4.26Å; I118-F332 HydrophobicContact CG1-CD1 3.63Å; I118-F332 HydrophobicContact CG1-CE1 4.01Å; I118-F332 HydrophobicContact CG1-CG 4.01Å; I118-F332 HydrophobicContact CG2-CB 4.06Å; I118-F332 HydrophobicContact CG2-CD1 4.47Å; I118-F332 HydrophobicContact CG2-CD2 4.2Å; I118-F332 HydrophobicContact CG2-CG 4.03Å; I118-L442 HydrophobicContact CD1-CD1 3.74Å; I118-F448 HydrophobicContact CD1-CE1 3.88Å; I118-F448 HydrophobicContact CD1-CZ 4.05Å
119R97.4Very high95.8Very high30 Ų3031.1 Ų31.111%0.11314%0.144CC..Hα-helixtrans-58.2-41.4175.1-75179.1-167.197.715.9111.8E115 K116 M122 R123 Y478 F479 D482E115-R119 WeakPolarHBondContact O-CG 3.21Å; E115-R119 PolarHBondContact O-N 3.09Å; E115-R119 IonicContact OE2-CZ 2.7Å; E115-R119 IonicContact OE2-NH1 3.72Å; E115-R119 IonicContact OE2-NH2 2.7Å; E115-R119 PolarHBondContact OE2-NH2 3.22Å; K116-R119 PolarHBondContact O-N 2.99Å; R119-M122 PolarHBondContact O-N 2.77Å; R119-R123 VanDerWaalsContact O-CB 3.25Å; R119-R123 WeakPolarHBondContact O-CB 3.48Å; R119-R123 PolarHBondContact O-N 3.28Å; R119-Y478 HydrophobicContact CG-CD1 4.33Å; R119-Y478 HydrophobicContact CG-CE1 3.64Å; R119-Y478 HydrophobicContact CG-CE2 4.25Å; R119-Y478 PolarHBondContact NE-O 3.05Å; R119-F479 HydrophobicContact CB-CD1 4.44Å; R119-F479 WeakPolarHBondContact O-CE1 3.32Å; R119-D482 IonicContact NH1-OD1 2.9Å
120R96.5Very high96.3Very high89 Ų8931.2 Ų31.234%0.33615%0.147SC..Hα-helixtrans-64.1-46178.9-163.8-179.571.691.82.9111.7K116 E117 I118 A124 K154 F156K116-R120 WeakPolarHBondContact O-CB 3.41Å; K116-R120 PolarHBondContact O-N 3.32Å; E117-R120 WeakPolarHBondContact O-CB 3.5Å; E117-R120 PolarHBondContact O-N 2.76Å; I118-R120 VanDerWaalsContact C-N 3.29Å; I118-R120 PolarHBondContact O-N 3.33Å; R120-A124 WeakPolarHBondContact O-CB 3.42Å; R120-A124 PolarHBondContact O-N 3.43Å; R120-K154 VanDerWaalsContact CZ-O 3.27Å; R120-K154 PolarHBondContact NH1-O 2.8Å; R120-K154 PolarHBondContact NH2-O 2.83Å; R120-F156 HydrophobicContact CG-CE2 4.18Å
121Y97.9Very high96.6Very high3 Ų331.7 Ų31.71%0.01215%0.149CC..Hα-helixtrans-57.3-54174.1-179-76.6000110.7F106 Y109 E117 I118 R123 A124 L125 F147 F156 I328 F332F106-Y121 HydrophobicContact CD2-CE2 4.33Å; F106-Y121 HydrophobicContact CE2-CE2 4.21Å; Y109-Y121 HydrophobicContact CE1-CD2 4.04Å; E117-Y121 PolarHBondContact O-N 3.25Å; I118-Y121 PolarHBondContact O-N 2.97Å; Y121-R123 PolarHBondContact O-N 3.43Å; Y121-A124 PolarHBondContact O-N 3.11Å; Y121-L125 HydrophobicContact CE1-CD2 4.09Å; Y121-L125 PolarHBondContact O-N 3.39Å; Y121-F147 HydrophobicContact CD1-CE1 4.45Å; Y121-F147 HydrophobicContact CD2-CD1 4.27Å; Y121-F147 HydrophobicContact CD2-CE1 4.25Å; Y121-F147 AromaticContact CE1-CD1 3.97Å; Y121-F147 HydrophobicContact CE1-CD1 3.97Å; Y121-F147 HydrophobicContact CE1-CE1 4.27Å; Y121-F147 AromaticContact CE2-CD1 3.65Å; Y121-F147 HydrophobicContact CE2-CD1 3.65Å; Y121-F147 HydrophobicContact CE2-CE1 4.09Å; Y121-F147 HydrophobicContact CG-CE1 4.42Å; Y121-F147 AromaticContact CZ-CD1 3.47Å; Y121-F147 VanDerWaalsContact CZ-CD1 3.47Å; Y121-F156 HydrophobicContact CD2-CD1 4.05Å; Y121-F156 AromaticContact CD2-CE1 3.5Å; Y121-F156 HydrophobicContact CD2-CE1 3.5Å; Y121-F156 VanDerWaalsContact CD2-CE1 3.5Å; Y121-F156 HydrophobicContact CD2-CZ 4.08Å; Y121-F156 HydrophobicContact CE2-CD1 4.47Å; Y121-F156 HydrophobicContact CE2-CE1 4.24Å; Y121-F156 HydrophobicContact CG-CE1 4.27Å; Y121-F156 HydrophobicContact CG-CZ 4.47Å; Y121-I328 HydrophobicContact CE1-CG2 3.57Å; Y121-F332 AromaticContact CD1-CE2 3.68Å; Y121-F332 HydrophobicContact CD1-CE2 3.68Å; Y121-F332 HydrophobicContact CD1-CZ 4.07Å; Y121-F332 HydrophobicContact CD2-CZ 4.12Å; Y121-F332 AromaticContact CE1-CE2 3.91Å; Y121-F332 HydrophobicContact CE1-CE2 3.91Å; Y121-F332 HydrophobicContact CE1-CZ 4.4Å; Y121-F332 HydrophobicContact CE2-CZ 4.42Å; Y121-F332 HydrophobicContact CG-CE2 4.04Å; Y121-F332 AromaticContact CG-CZ 3.94Å; Y121-F332 HydrophobicContact CG-CZ 3.94Å
122M98.5Very high96.8Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-62.5-41.4-176.5-68.3-57.9-60.100112I118 R119 L125 L126 V325 F329 L459 F479I118-M122 HydrophobicContact CG2-CG 4.27Å; I118-M122 WeakPolarHBondContact O-CB 3.24Å; I118-M122 VanDerWaalsContact O-CG 3.25Å; I118-M122 WeakPolarHBondContact O-CG 3.2Å; I118-M122 PolarHBondContact O-N 2.86Å; R119-M122 PolarHBondContact O-N 2.77Å; M122-L125 PolarHBondContact O-N 3.02Å; M122-L126 WeakPolarHBondContact O-CB 3.28Å; M122-L126 VanDerWaalsContact O-CG 3.25Å; M122-L126 WeakPolarHBondContact O-CG 3.35Å; M122-L126 PolarHBondContact O-N 2.84Å; M122-V325 HydrophobicContact CE-CG1 3.39Å; M122-F329 HydrophobicContact CE-CB 3.56Å; M122-F329 HydrophobicContact CE-CD1 4.27Å; M122-F329 HydrophobicContact CE-CD2 3.99Å; M122-F329 HydrophobicContact CE-CG 3.69Å; M122-F329 HydrophobicContact CG-CD2 3.82Å; M122-F329 HydrophobicContact CG-CE2 4.1Å; M122-F329 HydrophobicContact CG-CG 4.48Å; M122-F329 HydrophobicContact SD-CB 3.92Å; M122-F329 HydrophobicContact SD-CD2 3.78Å; M122-F329 HydrophobicContact SD-CG 4.04Å; M122-L459 HydrophobicContact CE-CD1 4.29Å; M122-F479 HydrophobicContact CB-CE1 3.89Å; M122-F479 HydrophobicContact CB-CZ 3.78Å
123R98.1Very high97.1Very high96 Ų9629.8 Ų29.836%0.36214%0.137SC..Hα-helixtrans-64.6-43.2176.5-171-172.4-55.5-82.35.6112R119 Y121 L126 S127 L474 F479R119-R123 VanDerWaalsContact O-CB 3.25Å; R119-R123 WeakPolarHBondContact O-CB 3.48Å; R119-R123 PolarHBondContact O-N 3.28Å; Y121-R123 PolarHBondContact O-N 3.43Å; R123-L126 PolarHBondContact O-N 3.26Å; R123-S127 VanDerWaalsContact O-CB 3.24Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 2.65Å; R123-L474 HydrophobicContact CG-CD2 3.83Å; R123-L474 WeakPolarHBondContact O-CD2 3.12Å; R123-F479 HydrophobicContact CB-CD1 4.28Å; R123-F479 HydrophobicContact CB-CE1 4.04Å; R123-F479 VanDerWaalsContact NH2-CB 3.32Å; R123-F479 PolarHBondContact NH2-O 3.02Å
124A98.2Very high97.3Very high10 Ų1036.3 Ų36.38%0.08317%0.165CC..Hα-helixtrans-64.8-41.5178.400000111.6R120 Y121 S127 A128 F147 F156R120-A124 WeakPolarHBondContact O-CB 3.42Å; R120-A124 PolarHBondContact O-N 3.43Å; Y121-A124 PolarHBondContact O-N 3.11Å; A124-S127 PolarHBondContact O-N 2.8Å; A124-A128 PolarHBondContact O-N 2.97Å; A124-F147 HydrophobicContact CB-CE1 4.39Å; A124-F147 HydrophobicContact CB-CZ 3.78Å; A124-F156 HydrophobicContact CB-CB 3.99Å; A124-F156 HydrophobicContact CB-CD2 3.5Å; A124-F156 HydrophobicContact CB-CE2 4.28Å; A124-F156 HydrophobicContact CB-CG 4.04Å
125L98.8Very high97.3Very high0 Ų035 Ų350%016%0.156CC..Hα-helixtrans-64.5-46.6177177.656.3000111.7Y121 M122 S127 A128 L129 V142 F147 L158 V325 I328Y121-L125 HydrophobicContact CE1-CD2 4.09Å; Y121-L125 PolarHBondContact O-N 3.39Å; M122-L125 PolarHBondContact O-N 3.02Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3Å; L125-A128 PolarHBondContact O-N 3.46Å; L125-L129 HydrophobicContact CD1-CD1 4.24Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.41Å; L125-L129 PolarHBondContact O-N 2.9Å; L125-V142 HydrophobicContact CD1-CG1 4.15Å; L125-V142 HydrophobicContact CD2-CG1 4.45Å; L125-F147 HydrophobicContact CB-CD1 4.15Å; L125-F147 HydrophobicContact CB-CE1 3.72Å; L125-F147 HydrophobicContact CB-CE2 4.19Å; L125-F147 HydrophobicContact CB-CZ 3.74Å; L125-F147 HydrophobicContact CD1-CB 4.37Å; L125-F147 HydrophobicContact CD1-CD1 4.32Å; L125-F147 HydrophobicContact CD1-CD2 3.77Å; L125-F147 HydrophobicContact CD1-CE2 4.08Å; L125-F147 HydrophobicContact CD1-CG 3.9Å; L125-F147 HydrophobicContact CD1-CZ 4.45Å; L125-L158 HydrophobicContact CD1-CD1 4.49Å; L125-V325 HydrophobicContact CD2-CB 4.45Å; L125-V325 HydrophobicContact CD2-CG1 4.22Å; L125-V325 HydrophobicContact CD2-CG2 3.91Å; L125-V325 HydrophobicContact CG-CG2 4.08Å; L125-I328 HydrophobicContact CD2-CD1 3.74Å
126L98.8Very high97.3Very high0 Ų036.9 Ų36.90%016%0.163CC..Hα-helixtrans-64.8-34.3176.4-71.5168.8000112M122 R123 L129 A130 V325 A470 A473 L474 F479M122-L126 WeakPolarHBondContact O-CB 3.28Å; M122-L126 VanDerWaalsContact O-CG 3.25Å; M122-L126 WeakPolarHBondContact O-CG 3.35Å; M122-L126 PolarHBondContact O-N 2.84Å; R123-L126 PolarHBondContact O-N 3.26Å; L126-L129 PolarHBondContact O-N 3.14Å; L126-A130 VanDerWaalsContact O-CB 3.27Å; L126-A130 WeakPolarHBondContact O-CB 3.38Å; L126-A130 PolarHBondContact O-N 3.1Å; L126-V325 HydrophobicContact CD2-CG1 3.99Å; L126-V325 HydrophobicContact CG-CG1 4.37Å; L126-A470 HydrophobicContact CD2-CB 4.45Å; L126-A473 HydrophobicContact CD1-CB 3.74Å; L126-A473 HydrophobicContact CD2-CB 3.79Å; L126-A473 HydrophobicContact CG-CB 4.37Å; L126-L474 HydrophobicContact CB-CD2 3.67Å; L126-L474 HydrophobicContact CB-CG 3.89Å; L126-F479 HydrophobicContact CD1-CE2 3.61Å; L126-F479 HydrophobicContact CD1-CZ 3.68Å
127S98.4Very high97.4Very high28 Ų2830 Ų3020%0.19613%0.133CC..Hα-helixtrans-64.5-44.1174.1-179.30000111.8R123 A124 L125 A130 H131R123-S127 VanDerWaalsContact O-CB 3.24Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 2.65Å; A124-S127 PolarHBondContact O-N 2.8Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3Å; S127-A130 PolarHBondContact O-N 2.75Å; S127-H131 PolarHBondContact O-N 3.04Å; S127-H131 VanDerWaalsContact O-N 3.13Å
128A98.7Very high97.5Very high0 Ų027 Ų270%012%0.119CC..Hα-helixtrans-59.9-48.8174.300000111.3H79 N80 V81 A124 L125 H131 V132 F147 L158H79-A128 WeakPolarHBondContact O-CA 3.47Å; H79-A128 WeakPolarHBondContact O-CB 3.07Å; H79-A128 PolarHBondContact O-N 3.42Å; N80-A128 HydrophobicContact CB-CB 4.14Å; V81-A128 HydrophobicContact CG2-CB 4.05Å; A124-A128 PolarHBondContact O-N 2.97Å; L125-A128 PolarHBondContact O-N 3.46Å; A128-H131 WeakPolarHBondContact O-CB 3.34Å; A128-H131 PolarHBondContact O-N 2.9Å; A128-V132 VanDerWaalsContact O-CG2 3.29Å; A128-V132 WeakPolarHBondContact O-CG2 3.29Å; A128-V132 PolarHBondContact O-N 3.32Å; A128-F147 HydrophobicContact CB-CE2 4.43Å; A128-L158 HydrophobicContact CB-CB 3.93Å; A128-L158 HydrophobicContact CB-CD2 4.04Å
129L98.8Very high97.5Very high0 Ų026.9 Ų26.90%012%0.119CC..Hα-helixtrans-67.7-37-179.8-68.8175.5000112.8L125 L126 H131 V132 H133 H139 V142 L158 D321 V325 A470L125-L129 HydrophobicContact CD1-CD1 4.24Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.41Å; L125-L129 PolarHBondContact O-N 2.9Å; L126-L129 PolarHBondContact O-N 3.14Å; L129-H131 VanDerWaalsContact C-N 3.28Å; L129-H131 PolarHBondContact O-N 3.34Å; L129-V132 PolarHBondContact O-N 3.21Å; L129-H133 WeakPolarHBondContact O-CB 3.47Å; L129-H133 PolarHBondContact O-CD2 2.97Å; L129-H133 PolarHBondContact O-N 3.04Å; L129-H139 HydrophobicContact CD2-CB 4.42Å; L129-V142 HydrophobicContact CD1-CG1 4.46Å; L129-V142 HydrophobicContact CD1-CG2 4.29Å; L129-V142 HydrophobicContact CD2-CG2 3.81Å; L129-L158 HydrophobicContact CD2-CD2 3.92Å; L129-D321 HydrophobicContact CD1-CB 4.14Å; L129-D321 HydrophobicContact CD2-CB 4.02Å; L129-V325 HydrophobicContact CD1-CG2 3.31Å; L129-A470 HydrophobicContact CB-CB 4Å
130A98.5Very high97.4Very high14 Ų1426.2 Ų26.212%0.11612%0.116CC..Hα-helixtrans-59.6-40.8173.900000111.5L126 S127 K134 A470 L474L126-A130 VanDerWaalsContact O-CB 3.27Å; L126-A130 WeakPolarHBondContact O-CB 3.38Å; L126-A130 PolarHBondContact O-N 3.1Å; S127-A130 PolarHBondContact O-N 2.75Å; A130-K134 PolarHBondContact O-N 2.63Å; A130-A470 HydrophobicContact CB-CB 3.99Å; A130-L474 HydrophobicContact CB-CD1 3.93Å
131H98.1Very high97.4Very high17 Ų1722.3 Ų22.38%0.07910%0.102CC..Hα-helixtrans-66.5-42.9174.8-178.259.3000112.7L75 H79 S127 A128 L129 K134 Y135L75-H131 PolarHBondContact O-NE2 3.36Å; H79-H131 HydrophobicContact CB-CB 3.87Å; H79-H131 AromaticContact CD2-CG 3.73Å; H79-H131 AromaticContact CD2-ND1 3.58Å; S127-H131 PolarHBondContact O-N 3.04Å; S127-H131 VanDerWaalsContact O-N 3.13Å; A128-H131 WeakPolarHBondContact O-CB 3.34Å; A128-H131 PolarHBondContact O-N 2.9Å; L129-H131 VanDerWaalsContact C-N 3.28Å; L129-H131 PolarHBondContact O-N 3.34Å; H131-K134 WeakPolarHBondContact O-CB 3.33Å; H131-Y135 AromaticContact CE1-CE2 3.86Å; H131-Y135 VanDerWaalsContact O-CD2 3.31Å; H131-Y135 WeakPolarHBondContact O-CD2 3.37Å
132V97.9Very high97.5Very high0 Ų022.2 Ų22.20%010%0.102CC..Hα-helixtrans-64-48.5176.1176.40000111.2L75 V81 A128 L129 K134 Y135 V137 L158 F161L75-V132 HydrophobicContact CD1-CG2 3.85Å; L75-V132 HydrophobicContact CD2-CB 4.47Å; L75-V132 HydrophobicContact CD2-CG2 4.18Å; V81-V132 HydrophobicContact CG2-CG2 3.92Å; A128-V132 VanDerWaalsContact O-CG2 3.29Å; A128-V132 WeakPolarHBondContact O-CG2 3.29Å; A128-V132 PolarHBondContact O-N 3.32Å; L129-V132 PolarHBondContact O-N 3.21Å; V132-K134 VanDerWaalsContact C-N 3.26Å; V132-K134 PolarHBondContact O-N 3.15Å; V132-Y135 PolarHBondContact O-N 3.07Å; V132-Y135 VanDerWaalsContact O-N 3.08Å; V132-V137 HydrophobicContact CG1-CB 3.72Å; V132-V137 HydrophobicContact CG1-CG1 3.75Å; V132-L158 HydrophobicContact CG2-CD2 4.23Å; V132-F161 HydrophobicContact CG1-CE1 4.14Å; V132-F161 HydrophobicContact CG2-CE1 3.83Å; V132-F161 HydrophobicContact CG2-CZ 3.93Å
133H97.5Very high97.4Very high20 Ų2023.9 Ų23.99%0.09311%0.109CC..Hα-helixtrans-68.2-24.2-176.2-64.8178.3000112.7L129 Y135 K136 V137 T318 D321L129-H133 WeakPolarHBondContact O-CB 3.47Å; L129-H133 PolarHBondContact O-CD2 2.97Å; L129-H133 PolarHBondContact O-N 3.04Å; H133-Y135 PolarHBondContact O-N 3.19Å; H133-K136 PolarHBondContact O-N 2.64Å; H133-V137 PolarHBondContact CD2-O 2.97Å; H133-V137 VanDerWaalsContact CD2-O 3.28Å; H133-T318 HydrophobicContact CB-CG2 4Å; H133-T318 PolarHBondContact CE1-O 3.01Å; H133-D321 IonicContact CD2-OD2 3.92Å; H133-D321 IonicContact CE1-OD2 2.79Å; H133-D321 IonicContact NE2-OD2 3.95Å; H133-D321 PolarHBondContact NE2-OD2 3.23Å
134K95.7Very high97.3Very high140 Ų14019.5 Ų19.561%0.6099%0.093SC*.THydrogen-bonded Turntrans-53.5-33.1169.8-178.5179.8174.9179.80112.1A130 H131 V132A130-K134 PolarHBondContact O-N 2.63Å; H131-K134 WeakPolarHBondContact O-CB 3.33Å; V132-K134 VanDerWaalsContact C-N 3.26Å; V132-K134 PolarHBondContact O-N 3.15Å
135Y94.3Very high97.1Very high38 Ų3822.9 Ų22.915%0.14911%0.113CC..THydrogen-bonded Turntrans-95.814.3177.6-58.3-79.4000113.6R74 L75 H131 V132 H133 V137 W176 F180R74-Y135 HydrophobicContact CG-CD1 3.85Å; R74-Y135 HydrophobicContact CG-CE1 3.84Å; R74-Y135 HydrophobicContact CG-CG 4.23Å; L75-Y135 HydrophobicContact CD2-CD2 3.71Å; L75-Y135 HydrophobicContact CD2-CE2 4.06Å; H131-Y135 AromaticContact CE1-CE2 3.86Å; H131-Y135 VanDerWaalsContact O-CD2 3.31Å; H131-Y135 WeakPolarHBondContact O-CD2 3.37Å; V132-Y135 PolarHBondContact O-N 3.07Å; V132-Y135 VanDerWaalsContact O-N 3.08Å; H133-Y135 PolarHBondContact O-N 3.19Å; Y135-V137 PolarHBondContact O-N 3.11Å; Y135-W176 PolarHBondContact O-NE1 3.01Å; Y135-F180 HydrophobicContact CD1-CB 4.41Å; Y135-F180 AromaticContact CD1-CD1 3.92Å; Y135-F180 HydrophobicContact CD1-CD1 3.92Å; Y135-F180 HydrophobicContact CD1-CE1 4.32Å; Y135-F180 HydrophobicContact CD1-CG 4.05Å; Y135-F180 WeakPolarHBondContact O-CE2 3.41Å; Y135-F180 WeakPolarHBondContact O-CZ 3.33Å
136K94.9Very high97Very high78 Ų7823.5 Ų23.534%0.33912%0.116SC..THydrogen-bonded Turntrans54.938.1-178-62.1-60.5-166.1169.50112.7H133 S166 E167 F180H133-K136 PolarHBondContact O-N 2.64Å; K136-S166 CarbonylContact O-C 3.32Å; K136-S166 WeakPolarHBondContact O-CA 3.21Å; K136-E167 HydrophobicContact CB-CB 4.3Å; K136-E167 WeakPolarHBondContact CD-OE2 3.09Å; K136-E167 IonicContact NZ-OE2 2.78Å; K136-E167 WeakPolarHBondContact O-CB 3.43Å; K136-E167 PolarHBondContact O-N 2.75Å; K136-F180 HydrophobicContact CB-CZ 4.37Å; K136-F180 HydrophobicContact CG-CZ 4.24Å
137V95.8Very high97Very high1 Ų123.7 Ų23.71%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-100131.7175.1174.70000109.1I71 V132 H133 Y135 A164 H165 I172 W176 T318I71-V137 HydrophobicContact CD1-CG1 3.94Å; I71-V137 HydrophobicContact CG1-CG1 4.36Å; I71-V137 HydrophobicContact CG1-CG2 4.42Å; I71-V137 HydrophobicContact CG2-CG1 4.25Å; V132-V137 HydrophobicContact CG1-CB 3.72Å; V132-V137 HydrophobicContact CG1-CG1 3.75Å; H133-V137 PolarHBondContact CD2-O 2.97Å; H133-V137 VanDerWaalsContact CD2-O 3.28Å; Y135-V137 PolarHBondContact O-N 3.11Å; V137-A164 HydrophobicContact CG1-CB 4.06Å; V137-H165 CarbonylContact C-O 3.49Å; V137-H165 WeakPolarHBondContact CA-O 3.38Å; V137-I172 HydrophobicContact CG2-CD1 4.23Å; V137-W176 HydrophobicContact CG2-CZ2 3.75Å; V137-T318 WeakPolarHBondContact O-CG2 3.47Å
138I96.9Very high96.9Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-98.3122.5170.8-45.8177000107.1R140 A164 H165 E167 Q316 T317 T318 V320I138-R140 HydrophobicContact CB-CG 4.1Å; I138-R140 HydrophobicContact CG2-CG 3.57Å; I138-A164 CarbonylContact O-C 3.57Å; I138-A164 WeakPolarHBondContact O-CA 3.3Å; I138-A164 WeakPolarHBondContact O-CB 3.37Å; I138-H165 PolarHBondContact N-O 2.83Å; I138-H165 PolarHBondContact O-N 3.41Å; I138-E167 HydrophobicContact CD1-CB 4.1Å; I138-E167 HydrophobicContact CD1-CG 4.41Å; I138-E167 HydrophobicContact CG1-CB 4.07Å; I138-Q316 VanDerWaalsContact CD1-O 3.26Å; I138-Q316 WeakPolarHBondContact CD1-O 3.46Å; I138-T317 WeakPolarHBondContact CD1-O 3.44Å; I138-T318 HydrophobicContact CG1-CG2 4.12Å; I138-V320 HydrophobicContact CG2-CB 3.97Å; I138-V320 HydrophobicContact CG2-CG1 4.34Å
139H97.2Very high96.8Very high0 Ų023.7 Ų23.70%012%0.115CC..  trans-72-39.4179.9-174.5-76.8000112.1L129 D141 V142 V159 D160 F161 D321L129-H139 HydrophobicContact CD2-CB 4.42Å; H139-D141 PolarHBondContact ND1-N 2.98Å; H139-D141 PolarHBondContact O-N 3.49Å; H139-V142 HydrophobicContact CB-CG2 3.9Å; H139-V142 PolarHBondContact ND1-N 2.86Å; H139-V159 PolarHBondContact NE2-O 3.29Å; H139-V159 VanDerWaalsContact NE2-O 3.15Å; H139-D160 PolarHBondContact CE1-O 2.75Å; H139-D160 PolarHBondContact NE2-O 3.35Å; H139-F161 AromaticContact CD2-CD1 3.8Å; H139-F161 AromaticContact CD2-CE1 3.59Å; H139-F161 AromaticContact CD2-CZ 3.84Å; H139-D321 PolarHBondContact N-OD1 3.27Å; H139-D321 PolarHBondContact N-OD2 3.21Å
140R96.3Very high96.6Very high16 Ų1624.7 Ų24.76%0.0612%0.12CC..  trans68.1-19.6177.2-60.7-177.556.4110.317.6117.8I138 L163 H165 R297 G299 G300 D321I138-R140 HydrophobicContact CB-CG 4.1Å; I138-R140 HydrophobicContact CG2-CG 3.57Å; R140-L163 HydrophobicContact CB-CB 4.36Å; R140-L163 WeakPolarHBondContact CD-O 3.38Å; R140-H165 WeakPolarHBondContact CD-CD2 3.42Å; R140-H165 VanDerWaalsContact CD-NE2 3.32Å; R140-H165 WeakPolarHBondContact CD-NE2 3.44Å; R140-H165 PolarHBondContact NH1-NE2 3.18Å; R140-R297 PolarHBondContact NH1-O 3.33Å; R140-R297 PolarHBondContact NH2-O 3.25Å; R140-G299 PolarHBondContact NE-O 3.44Å; R140-G299 VanDerWaalsContact NE-O 3.17Å; R140-G299 VanDerWaalsContact NH2-N 3.19Å; R140-G299 PolarHBondContact NH2-O 3.06Å; R140-G300 WeakPolarHBondContact O-CA 3.42Å; R140-D321 PolarHBondContact N-OD1 2.78Å
141D97.1Very high96.3Very high7 Ų729 Ų294%0.03714%0.137CC..  trans-123.540.9178.8-154.334.9000112.7H139 K143 N146 L163 T301H139-D141 PolarHBondContact ND1-N 2.98Å; H139-D141 PolarHBondContact O-N 3.49Å; D141-K143 PolarHBondContact O-N 2.8Å; D141-K143 IonicContact OD1-NZ 3Å; D141-K143 PolarHBondContact OD1-NZ 2.83Å; D141-K143 WeakPolarHBondContact OD2-CE 3.38Å; D141-K143 IonicContact OD2-NZ 2.8Å; D141-K143 PolarHBondContact OD2-NZ 2.68Å; D141-N146 PolarHBondContact O-ND2 3.45Å; D141-N146 PolarHBondContact OD2-ND2 3Å; D141-N146 VanDerWaalsContact OD2-ND2 3.1Å; D141-L163 HydrophobicContact CB-CB 4.38Å; D141-L163 HydrophobicContact CB-CD1 3.63Å; D141-T301 WeakPolarHBondContact OD1-CB 3.43Å; D141-T301 PolarHBondContact OD1-N 3.48Å; D141-T301 PolarHBondContact OD1-OG1 3.48Å
142V98.3Very high96Very high2 Ų237.4 Ų37.41%0.01217%0.174CC..  trans-67.4118.2172177.20000108.6L125 L129 H139 D321 A324 V325 I328L125-V142 HydrophobicContact CD1-CG1 4.15Å; L125-V142 HydrophobicContact CD2-CG1 4.45Å; L129-V142 HydrophobicContact CD1-CG1 4.46Å; L129-V142 HydrophobicContact CD1-CG2 4.29Å; L129-V142 HydrophobicContact CD2-CG2 3.81Å; H139-V142 HydrophobicContact CB-CG2 3.9Å; H139-V142 PolarHBondContact ND1-N 2.86Å; V142-D321 HydrophobicContact CG2-CB 3.87Å; V142-A324 HydrophobicContact CB-CB 3.83Å; V142-A324 HydrophobicContact CG1-CB 4.12Å; V142-A324 WeakPolarHBondContact O-CB 3.42Å; V142-V325 HydrophobicContact CG1-CG2 4.33Å; V142-I328 HydrophobicContact CG1-CD1 4.01Å
143K96.9Very high95.8Very high34 Ų3440.9 Ų40.915%0.14820%0.195CC..SBendtrans-163.7163.417965-163.7-172.6-160.10108.8D141 T145 N146 F147 T301 F304D141-K143 PolarHBondContact O-N 2.8Å; D141-K143 IonicContact OD1-NZ 3Å; D141-K143 PolarHBondContact OD1-NZ 2.83Å; D141-K143 WeakPolarHBondContact OD2-CE 3.38Å; D141-K143 IonicContact OD2-NZ 2.8Å; D141-K143 PolarHBondContact OD2-NZ 2.68Å; K143-T145 VanDerWaalsContact C-N 3.27Å; K143-T145 WeakPolarHBondContact CE-OG1 3.23Å; K143-T145 WeakPolarHBondContact CG-OG1 3.44Å; K143-T145 PolarHBondContact O-N 3.32Å; K143-N146 WeakPolarHBondContact CE-ND2 3.42Å; K143-N146 HydrophobicContact CG-CB 4.18Å; K143-N146 PolarHBondContact O-N 3.31Å; K143-F147 PolarHBondContact O-N 3.3Å; K143-T301 HydrophobicContact CD-CG2 4.14Å; K143-T301 WeakPolarHBondContact CD-OG1 3.24Å; K143-T301 WeakPolarHBondContact CE-OG1 3.19Å; K143-T301 PolarHBondContact NZ-OG1 3.08Å; K143-F304 HydrophobicContact CB-CD1 4.15Å; K143-F304 HydrophobicContact CB-CD2 4.08Å; K143-F304 HydrophobicContact CB-CE1 4.07Å; K143-F304 HydrophobicContact CB-CE2 3.98Å; K143-F304 HydrophobicContact CB-CG 4.16Å; K143-F304 HydrophobicContact CB-CZ 3.98Å
144P96.2Very high95.6Very high5 Ų544 Ų443%0.03221%0.209CC..G310 helixtrans-61.1-30.8-174.1-28.238.1000115.1F106 N146 F147 I328 Y337F106-P144 HydrophobicContact CB-CB 3.55Å; F106-P144 HydrophobicContact CD1-CB 3.63Å; F106-P144 HydrophobicContact CD1-CG 3.79Å; F106-P144 HydrophobicContact CD2-CB 3.66Å; F106-P144 HydrophobicContact CD2-CG 4.25Å; F106-P144 HydrophobicContact CE1-CB 4.18Å; F106-P144 HydrophobicContact CE1-CG 3.88Å; F106-P144 HydrophobicContact CE2-CB 4.19Å; F106-P144 HydrophobicContact CE2-CG 4.3Å; F106-P144 HydrophobicContact CG-CB 3.32Å; F106-P144 HydrophobicContact CG-CG 3.97Å; F106-P144 HydrophobicContact CZ-CB 4.43Å; F106-P144 HydrophobicContact CZ-CG 4.13Å; P144-N146 PolarHBondContact O-N 2.82Å; P144-F147 PolarHBondContact O-N 2.74Å; P144-I328 HydrophobicContact CG-CD1 4.38Å; P144-I328 HydrophobicContact CG-CG1 3.97Å; P144-I328 HydrophobicContact CG-CG2 4.36Å; P144-Y337 HydrophobicContact CB-CE2 4.48Å; P144-Y337 HydrophobicContact CG-CE2 3.72Å
145T94.5Very high95.6Very high81 Ų8142.4 Ų42.450%0.49720%0.203SC..G310 helixtrans-71-15176.665.10000113.5K143 L148K143-T145 VanDerWaalsContact C-N 3.27Å; K143-T145 WeakPolarHBondContact CE-OG1 3.23Å; K143-T145 WeakPolarHBondContact CG-OG1 3.44Å; K143-T145 PolarHBondContact O-N 3.32Å; T145-L148 WeakPolarHBondContact O-CD2 3.38Å
146N97Very high95.8Very high12 Ų1240.8 Ų40.86%0.06420%0.197CC..G310 helixtrans-105.15.1176.1-70.10.2000112D141 K143 P144 L158 V159D141-N146 PolarHBondContact O-ND2 3.45Å; D141-N146 PolarHBondContact OD2-ND2 3Å; D141-N146 VanDerWaalsContact OD2-ND2 3.1Å; K143-N146 WeakPolarHBondContact CE-ND2 3.42Å; K143-N146 HydrophobicContact CG-CB 4.18Å; K143-N146 PolarHBondContact O-N 3.31Å; P144-N146 PolarHBondContact O-N 2.82Å; N146-L158 WeakPolarHBondContact O-CA 3.36Å; N146-V159 HydrophobicContact CB-CG2 4.29Å; N146-V159 WeakPolarHBondContact O-CG2 3.45Å; N146-V159 PolarHBondContact O-N 2.81Å
147F98Very high95.9Very high5 Ų538.9 Ų38.92%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-127.986.2173.8-168.4-112.1000109.9N80 Y121 A124 L125 A128 K143 P144 F156 F157 L158N80-F147 HydrophobicContact CB-CE2 4.46Å; Y121-F147 HydrophobicContact CD1-CE1 4.45Å; Y121-F147 HydrophobicContact CD2-CD1 4.27Å; Y121-F147 HydrophobicContact CD2-CE1 4.25Å; Y121-F147 AromaticContact CE1-CD1 3.97Å; Y121-F147 HydrophobicContact CE1-CD1 3.97Å; Y121-F147 HydrophobicContact CE1-CE1 4.27Å; Y121-F147 AromaticContact CE2-CD1 3.65Å; Y121-F147 HydrophobicContact CE2-CD1 3.65Å; Y121-F147 HydrophobicContact CE2-CE1 4.09Å; Y121-F147 HydrophobicContact CG-CE1 4.42Å; Y121-F147 AromaticContact CZ-CD1 3.47Å; Y121-F147 VanDerWaalsContact CZ-CD1 3.47Å; A124-F147 HydrophobicContact CB-CE1 4.39Å; A124-F147 HydrophobicContact CB-CZ 3.78Å; L125-F147 HydrophobicContact CB-CD1 4.15Å; L125-F147 HydrophobicContact CB-CE1 3.72Å; L125-F147 HydrophobicContact CB-CE2 4.19Å; L125-F147 HydrophobicContact CB-CZ 3.74Å; L125-F147 HydrophobicContact CD1-CB 4.37Å; L125-F147 HydrophobicContact CD1-CD1 4.32Å; L125-F147 HydrophobicContact CD1-CD2 3.77Å; L125-F147 HydrophobicContact CD1-CE2 4.08Å; L125-F147 HydrophobicContact CD1-CG 3.9Å; L125-F147 HydrophobicContact CD1-CZ 4.45Å; A128-F147 HydrophobicContact CB-CE2 4.43Å; K143-F147 PolarHBondContact O-N 3.3Å; P144-F147 PolarHBondContact O-N 2.74Å; F147-F156 HydrophobicContact CD1-CB 4.38Å; F147-F156 HydrophobicContact CD1-CD1 4.29Å; F147-F156 HydrophobicContact CE1-CB 3.53Å; F147-F156 AromaticContact CE1-CD1 3.75Å; F147-F156 HydrophobicContact CE1-CD1 3.75Å; F147-F156 AromaticContact CE1-CG 3.73Å; F147-F156 HydrophobicContact CE1-CG 3.73Å; F147-F156 HydrophobicContact CE2-CB 3.9Å; F147-F156 HydrophobicContact CZ-CB 3.24Å; F147-F156 HydrophobicContact CZ-CD1 4.36Å; F147-F156 AromaticContact CZ-CG 3.9Å; F147-F156 HydrophobicContact CZ-CG 3.9Å; F147-F157 CarbonylContact C-O 3.56Å; F147-F157 WeakPolarHBondContact CA-O 3.28Å; F147-L158 HydrophobicContact CD2-CB 3.93Å; F147-L158 HydrophobicContact CD2-CD1 4.32Å; F147-L158 HydrophobicContact CE2-CB 4.32Å
148L96.5Very high96.1Very high21 Ų2138.9 Ų38.911%0.1119%0.189CC..EExtended strand (participates in β ladder)trans-80.6139.6-168.1-54.3-174.8000110.8I101 Y103 T145 F156 F157 V159I101-L148 HydrophobicContact CB-CD1 4.12Å; I101-L148 HydrophobicContact CG2-CB 4.04Å; I101-L148 HydrophobicContact CG2-CD1 4.43Å; Y103-L148 HydrophobicContact CD1-CD1 4.05Å; Y103-L148 HydrophobicContact CD1-CD2 4.11Å; Y103-L148 HydrophobicContact CD2-CD2 3.99Å; Y103-L148 HydrophobicContact CE1-CD2 4.44Å; Y103-L148 HydrophobicContact CE2-CD2 4.33Å; Y103-L148 HydrophobicContact CG-CB 4.33Å; Y103-L148 HydrophobicContact CG-CD1 4.38Å; Y103-L148 HydrophobicContact CG-CD2 3.88Å; Y103-L148 HydrophobicContact CG-CG 4.42Å; T145-L148 WeakPolarHBondContact O-CD2 3.38Å; L148-F156 CarbonylContact O-C 3.6Å; L148-F156 WeakPolarHBondContact O-CA 3.33Å; L148-F157 PolarHBondContact N-O 3.09Å; L148-F157 PolarHBondContact O-N 3.11Å; L148-V159 HydrophobicContact CD1-CG1 3.96Å; L148-V159 HydrophobicContact CD1-CG2 4.14Å; L148-V159 HydrophobicContact CG-CG1 4.25Å; L148-V159 HydrophobicContact CG-CG2 4.04Å
149M95.8Very high96.1Very high7 Ų740 Ų403%0.03420%0.195CC..EExtended strand (participates in β ladder)trans-106.4113.5169.7-175.8177.455.900109.6Y103 I104 Y109 Q151 Q155 F156Y103-M149 WeakPolarHBondContact CA-O 3.31Å; I104-M149 HydrophobicContact CB-CE 4.01Å; I104-M149 HydrophobicContact CD1-CE 3.73Å; I104-M149 HydrophobicContact CG1-CE 4.37Å; I104-M149 HydrophobicContact CG2-CE 4.5Å; I104-M149 PolarHBondContact N-O 2.86Å; Y109-M149 HydrophobicContact CD1-CE 3.8Å; Y109-M149 HydrophobicContact CD1-SD 4.45Å; Y109-M149 HydrophobicContact CD2-CE 3.41Å; Y109-M149 VanDerWaalsContact CD2-CE 3.41Å; Y109-M149 HydrophobicContact CD2-SD 4.41Å; Y109-M149 HydrophobicContact CE1-CE 3.95Å; Y109-M149 HydrophobicContact CE1-SD 4.03Å; Y109-M149 HydrophobicContact CE2-CE 3.59Å; Y109-M149 HydrophobicContact CE2-SD 3.98Å; Y109-M149 HydrophobicContact CG-CE 3.5Å; M149-Q151 PolarHBondContact O-N 2.86Å; M149-Q155 CarbonylContact C-O 3.56Å; M149-Q155 WeakPolarHBondContact CA-O 3.47Å; M149-F156 HydrophobicContact CB-CD1 3.61Å; M149-F156 HydrophobicContact CB-CE1 3.54Å; M149-F156 HydrophobicContact CG-CD1 3.8Å; M149-F156 HydrophobicContact CG-CE1 3.44Å; M149-F156 VanDerWaalsContact CG-CE1 3.44Å; M149-F156 HydrophobicContact CG-CZ 4.09Å; M149-F156 HydrophobicContact SD-CD1 4.45Å; M149-F156 HydrophobicContact SD-CE1 3.51Å; M149-F156 VanDerWaalsContact SD-CE1 3.51Å; M149-F156 HydrophobicContact SD-CZ 3.78Å
150D94.6Very high95.9Very high20 Ų2042 Ų4211%0.10721%0.206CC..BIsolated β-bridgetrans-62.3127.6176.7-177.6-107.7000111I101 K152 T153 K154 Q155 F157I101-D150 HydrophobicContact CG2-CB 3.93Å; D150-K152 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 2.85Å; D150-K152 PolarHBondContact OD1-N 3.35Å; D150-T153 WeakPolarHBondContact CB-OG1 3.29Å; D150-T153 VanDerWaalsContact OD1-CB 3.3Å; D150-T153 WeakPolarHBondContact OD1-CB 3.49Å; D150-T153 WeakPolarHBondContact OD1-CG2 3.29Å; D150-T153 PolarHBondContact OD1-N 3.28Å; D150-T153 PolarHBondContact OD1-OG1 3.15Å; D150-K154 WeakPolarHBondContact O-CA 3.46Å; D150-K154 PolarHBondContact O-N 2.88Å; D150-Q155 PolarHBondContact N-O 3.3Å; D150-F157 HydrophobicContact CB-CE2 4.31Å
151Q92.2Very high95.9Very high104 Ų10441.2 Ų41.249%0.48620%0.203SC..THydrogen-bonded Turntrans-64.7-37.8-173.1178.4166.9-35.800112.3D102 I104 M149 K154D102-Q151 VanDerWaalsContact O-CB 3.25Å; D102-Q151 WeakPolarHBondContact O-CB 3.4Å; D102-Q151 PolarHBondContact O-N 3.14Å; I104-Q151 HydrophobicContact CD1-CB 4.25Å; I104-Q151 HydrophobicContact CD1-CG 4.14Å; I104-Q151 HydrophobicContact CG1-CB 3.96Å; I104-Q151 HydrophobicContact CG1-CG 4.09Å; M149-Q151 PolarHBondContact O-N 2.86Å; Q151-K154 WeakPolarHBondContact O-CD 3.46Å; Q151-K154 VanDerWaalsContact O-CE 3.31Å; Q151-K154 WeakPolarHBondContact O-CE 3.26Å; Q151-K154 PolarHBondContact O-NZ 3.11Å
152K92Very high95.7Very high194 Ų19441 Ų4184%0.84320%0.203SC*.THydrogen-bonded Turntrans-82.1-56-173.5-177.5179.1179.9179.50112D150D150-K152 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 2.85Å; D150-K152 PolarHBondContact OD1-N 3.35Å
153T94.4Very high95.4Very high74 Ų7442 Ų4245%0.45421%0.207SC..THydrogen-bonded Turntrans-83.8-15.1-175.965.90000112.8D150 Q155D150-T153 WeakPolarHBondContact CB-OG1 3.29Å; D150-T153 VanDerWaalsContact OD1-CB 3.3Å; D150-T153 WeakPolarHBondContact OD1-CB 3.49Å; D150-T153 WeakPolarHBondContact OD1-CG2 3.29Å; D150-T153 PolarHBondContact OD1-N 3.28Å; D150-T153 PolarHBondContact OD1-OG1 3.15Å; T153-Q155 PolarHBondContact O-N 3.17Å; T153-Q155 VanDerWaalsContact O-N 3.11Å; T153-Q155 WeakPolarHBondContact OG1-CB 3.26Å; T153-Q155 PolarHBondContact OG1-N 3.22Å
154K93.4Very high95.3Very high85 Ų8540.5 Ų40.537%0.3720%0.202SC..  trans58.911.9-169.7-56.2-56.9-172.4-162.10113.5R120 D150 Q151R120-K154 VanDerWaalsContact CZ-O 3.27Å; R120-K154 PolarHBondContact NH1-O 2.8Å; R120-K154 PolarHBondContact NH2-O 2.83Å; D150-K154 WeakPolarHBondContact O-CA 3.46Å; D150-K154 PolarHBondContact O-N 2.88Å; Q151-K154 WeakPolarHBondContact O-CD 3.46Å; Q151-K154 VanDerWaalsContact O-CE 3.31Å; Q151-K154 WeakPolarHBondContact O-CE 3.26Å; Q151-K154 PolarHBondContact O-NZ 3.11Å
155Q95.9Very high95.1Very high107 Ų10740.9 Ų40.950%0.520%0.203SC..  trans-74.7157.2176.6-67.2-173.8-23.400111.4M149 D150 T153 F157M149-Q155 CarbonylContact C-O 3.56Å; M149-Q155 WeakPolarHBondContact CA-O 3.47Å; D150-Q155 PolarHBondContact N-O 3.3Å; T153-Q155 PolarHBondContact O-N 3.17Å; T153-Q155 VanDerWaalsContact O-N 3.11Å; T153-Q155 WeakPolarHBondContact OG1-CB 3.26Å; T153-Q155 PolarHBondContact OG1-N 3.22Å; Q155-F157 HydrophobicContact CB-CE2 3.8Å; Q155-F157 HydrophobicContact CB-CZ 4.02Å
156F97.7Very high94.9Very high3 Ų337 Ų371%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-112.4147.6-179.4-56.8-84.4000112.3N80 R120 Y121 A124 F147 L148 M149N80-F156 WeakPolarHBondContact CA-O 3.47Å; N80-F156 VanDerWaalsContact CB-O 3.23Å; N80-F156 WeakPolarHBondContact CB-O 3.32Å; N80-F156 PolarHBondContact ND2-O 3.02Å; R120-F156 HydrophobicContact CG-CE2 4.18Å; Y121-F156 HydrophobicContact CD2-CD1 4.05Å; Y121-F156 AromaticContact CD2-CE1 3.5Å; Y121-F156 HydrophobicContact CD2-CE1 3.5Å; Y121-F156 VanDerWaalsContact CD2-CE1 3.5Å; Y121-F156 HydrophobicContact CD2-CZ 4.08Å; Y121-F156 HydrophobicContact CE2-CD1 4.47Å; Y121-F156 HydrophobicContact CE2-CE1 4.24Å; Y121-F156 HydrophobicContact CG-CE1 4.27Å; Y121-F156 HydrophobicContact CG-CZ 4.47Å; A124-F156 HydrophobicContact CB-CB 3.99Å; A124-F156 HydrophobicContact CB-CD2 3.5Å; A124-F156 HydrophobicContact CB-CE2 4.28Å; A124-F156 HydrophobicContact CB-CG 4.04Å; F147-F156 HydrophobicContact CD1-CB 4.38Å; F147-F156 HydrophobicContact CD1-CD1 4.29Å; F147-F156 HydrophobicContact CE1-CB 3.53Å; F147-F156 AromaticContact CE1-CD1 3.75Å; F147-F156 HydrophobicContact CE1-CD1 3.75Å; F147-F156 AromaticContact CE1-CG 3.73Å; F147-F156 HydrophobicContact CE1-CG 3.73Å; F147-F156 HydrophobicContact CE2-CB 3.9Å; F147-F156 HydrophobicContact CZ-CB 3.24Å; F147-F156 HydrophobicContact CZ-CD1 4.36Å; F147-F156 AromaticContact CZ-CG 3.9Å; F147-F156 HydrophobicContact CZ-CG 3.9Å; L148-F156 CarbonylContact O-C 3.6Å; L148-F156 WeakPolarHBondContact O-CA 3.33Å; M149-F156 HydrophobicContact CB-CD1 3.61Å; M149-F156 HydrophobicContact CB-CE1 3.54Å; M149-F156 HydrophobicContact CG-CD1 3.8Å; M149-F156 HydrophobicContact CG-CE1 3.44Å; M149-F156 VanDerWaalsContact CG-CE1 3.44Å; M149-F156 HydrophobicContact CG-CZ 4.09Å; M149-F156 HydrophobicContact SD-CD1 4.45Å; M149-F156 HydrophobicContact SD-CE1 3.51Å; M149-F156 VanDerWaalsContact SD-CE1 3.51Å; M149-F156 HydrophobicContact SD-CZ 3.78Å
157F98.1Very high94.5Very high39 Ų3939 Ų3917%0.17119%0.188CC..EExtended strand (participates in β ladder)trans-140.4122.2-179.4-60.2-83.6000111.7N80 I101 F147 L148 D150 Q155N80-F157 CarbonylContact O-C 3.6Å; N80-F157 VanDerWaalsContact O-CA 3.31Å; N80-F157 WeakPolarHBondContact O-CA 3.18Å; I101-F157 HydrophobicContact CD1-CD2 3.66Å; I101-F157 HydrophobicContact CD1-CE2 3.84Å; I101-F157 HydrophobicContact CD1-CG 4.1Å; I101-F157 HydrophobicContact CD1-CZ 4.42Å; I101-F157 HydrophobicContact CG1-CD2 4.13Å; I101-F157 HydrophobicContact CG1-CG 4.43Å; I101-F157 HydrophobicContact CG2-CD2 4.2Å; F147-F157 CarbonylContact C-O 3.56Å; F147-F157 WeakPolarHBondContact CA-O 3.28Å; L148-F157 PolarHBondContact N-O 3.09Å; L148-F157 PolarHBondContact O-N 3.11Å; D150-F157 HydrophobicContact CB-CE2 4.31Å; Q155-F157 HydrophobicContact CB-CE2 3.8Å; Q155-F157 HydrophobicContact CB-CZ 4.02Å
158L98.5Very high93.7Very high0 Ų043.3 Ų43.30%021%0.208CC..EExtended strand (participates in β ladder)trans-77124166.9-175.466000108.9N80 I82 L125 A128 L129 V132 N146 F147 F161N80-L158 PolarHBondContact O-N 3.06Å; I82-L158 WeakPolarHBondContact CG2-O 3.26Å; I82-L158 PolarHBondContact N-O 2.9Å; L125-L158 HydrophobicContact CD1-CD1 4.49Å; A128-L158 HydrophobicContact CB-CB 3.93Å; A128-L158 HydrophobicContact CB-CD2 4.04Å; L129-L158 HydrophobicContact CD2-CD2 3.92Å; V132-L158 HydrophobicContact CG2-CD2 4.23Å; N146-L158 WeakPolarHBondContact O-CA 3.36Å; F147-L158 HydrophobicContact CD2-CB 3.93Å; F147-L158 HydrophobicContact CD2-CD1 4.32Å; F147-L158 HydrophobicContact CE2-CB 4.32Å; L158-F161 HydrophobicContact CD2-CZ 4.12Å; L158-F161 HydrophobicContact CG-CZ 4.35Å
159V96.8Very high92.7Very high23 Ų2345.6 Ų45.614%0.13922%0.218CC..  trans-125.4169.2-176-58.90000111.1I82 H139 N146 L148I82-V159 HydrophobicContact CB-CG1 3.92Å; I82-V159 HydrophobicContact CG1-CG1 4.22Å; I82-V159 HydrophobicContact CG2-CB 4.39Å; I82-V159 HydrophobicContact CG2-CG1 4.15Å; H139-V159 PolarHBondContact NE2-O 3.29Å; H139-V159 VanDerWaalsContact NE2-O 3.15Å; N146-V159 HydrophobicContact CB-CG2 4.29Å; N146-V159 WeakPolarHBondContact O-CG2 3.45Å; N146-V159 PolarHBondContact O-N 2.81Å; L148-V159 HydrophobicContact CD1-CG1 3.96Å; L148-V159 HydrophobicContact CD1-CG2 4.14Å; L148-V159 HydrophobicContact CG-CG1 4.25Å; L148-V159 HydrophobicContact CG-CG2 4.04Å
160D94.5Very high91.7Very high43 Ų4346 Ų4623%0.2322%0.223CC..  trans63.381.4174.2-164.416.2000115.2K54 H139 G162K54-D160 IonicContact NZ-OD1 3.3Å; K54-D160 PolarHBondContact NZ-OD1 3.32Å; H139-D160 PolarHBondContact CE1-O 2.75Å; H139-D160 PolarHBondContact NE2-O 3.35Å; D160-G162 PolarHBondContact O-N 2.78Å; D160-G162 PolarHBondContact OD1-N 2.83Å
161F95.5Very high90.7Very high0 Ų047.3 Ų47.30%023%0.231CC..  trans-89.714.5174.5-72-98.1000112.3E68 I71 L72 L75 V81 V132 H139 L158 L163 A164E68-F161 HydrophobicContact CG-CB 4.09Å; E68-F161 PolarHBondContact OE1-N 3Å; I71-F161 HydrophobicContact CG2-CB 4.38Å; I71-F161 HydrophobicContact CG2-CD1 3.51Å; I71-F161 HydrophobicContact CG2-CE1 3.99Å; I71-F161 HydrophobicContact CG2-CG 4.07Å; L72-F161 HydrophobicContact CD2-CD2 3.48Å; L72-F161 VanDerWaalsContact CD2-CD2 3.48Å; L72-F161 HydrophobicContact CD2-CE2 3.9Å; L72-F161 HydrophobicContact CD2-CG 4.19Å; L72-F161 HydrophobicContact CG-CD2 4.28Å; L75-F161 HydrophobicContact CD1-CD1 4.1Å; L75-F161 HydrophobicContact CD1-CE1 3.37Å; L75-F161 HydrophobicContact CD1-CE2 4.28Å; L75-F161 HydrophobicContact CD1-CZ 3.47Å; L75-F161 VanDerWaalsContact CD1-CZ 3.47Å; V81-F161 HydrophobicContact CG1-CE2 3.75Å; V81-F161 HydrophobicContact CG1-CZ 3.66Å; V132-F161 HydrophobicContact CG1-CE1 4.14Å; V132-F161 HydrophobicContact CG2-CE1 3.83Å; V132-F161 HydrophobicContact CG2-CZ 3.93Å; H139-F161 AromaticContact CD2-CD1 3.8Å; H139-F161 AromaticContact CD2-CE1 3.59Å; H139-F161 AromaticContact CD2-CZ 3.84Å; L158-F161 HydrophobicContact CD2-CZ 4.12Å; L158-F161 HydrophobicContact CG-CZ 4.35Å; F161-L163 PolarHBondContact O-N 3.45Å; F161-L163 VanDerWaalsContact O-N 3.11Å; F161-A164 HydrophobicContact CB-CB 4.02Å; F161-A164 HydrophobicContact CD1-CB 3.83Å; F161-A164 HydrophobicContact CG-CB 4.4Å; F161-A164 WeakPolarHBondContact O-CB 3.25Å; F161-A164 PolarHBondContact O-N 3.23Å
162G93Very high89.7Confident2 Ų242.8 Ų42.82%0.02121%0.21CC..THydrogen-bonded Turntrans-60.3-26.3-177.100000112.9R64 E68 D160R64-G162 WeakPolarHBondContact CD-O 3.48Å; R64-G162 VanDerWaalsContact CG-O 3.24Å; R64-G162 WeakPolarHBondContact CG-O 3.5Å; R64-G162 PolarHBondContact NE-O 3.1Å; R64-G162 PolarHBondContact NH2-O 3.31Å; R64-G162 VanDerWaalsContact NH2-O 3.1Å; E68-G162 PolarHBondContact OE1-N 3.21Å; E68-G162 VanDerWaalsContact OE2-CA 3.28Å; E68-G162 WeakPolarHBondContact OE2-CA 3.49Å; D160-G162 PolarHBondContact O-N 2.78Å; D160-G162 PolarHBondContact OD1-N 2.83Å
163L92.6Very high88.7Confident22 Ų2235.5 Ų35.512%0.11518%0.18CC..THydrogen-bonded Turntrans-97.4-7.3176-77.1169.1000114F33 R64 R140 D141 F161F33-L163 HydrophobicContact CE2-CD1 4.3Å; F33-L163 HydrophobicContact CE2-CD2 4.23Å; F33-L163 HydrophobicContact CE2-CG 4.21Å; F33-L163 HydrophobicContact CZ-CD2 4.33Å; R64-L163 VanDerWaalsContact CZ-CD2 3.46Å; R140-L163 HydrophobicContact CB-CB 4.36Å; R140-L163 WeakPolarHBondContact CD-O 3.38Å; D141-L163 HydrophobicContact CB-CB 4.38Å; D141-L163 HydrophobicContact CB-CD1 3.63Å; F161-L163 PolarHBondContact O-N 3.45Å; F161-L163 VanDerWaalsContact O-N 3.11Å
164A94.6Very high87.4Confident3 Ų338 Ų383%0.02519%0.186CC..  trans-70.8154-170.600000111.5N67 I71 V137 I138 F161N67-A164 PolarHBondContact ND2-O 2.82Å; I71-A164 HydrophobicContact CD1-CB 3.62Å; V137-A164 HydrophobicContact CG1-CB 4.06Å; I138-A164 CarbonylContact O-C 3.57Å; I138-A164 WeakPolarHBondContact O-CA 3.3Å; I138-A164 WeakPolarHBondContact O-CB 3.37Å; F161-A164 HydrophobicContact CB-CB 4.02Å; F161-A164 HydrophobicContact CD1-CB 3.83Å; F161-A164 HydrophobicContact CG-CB 4.4Å; F161-A164 WeakPolarHBondContact O-CB 3.25Å; F161-A164 PolarHBondContact O-N 3.23Å
165H91.8Very high86.3Confident13 Ų1340.6 Ų40.66%0.0619%0.194CC..EExtended strand (participates in β ladder)trans-156.6167.3175.87171.6000111.4V137 I138 R140 G170V137-H165 CarbonylContact C-O 3.49Å; V137-H165 WeakPolarHBondContact CA-O 3.38Å; I138-H165 PolarHBondContact N-O 2.83Å; I138-H165 PolarHBondContact O-N 3.41Å; R140-H165 WeakPolarHBondContact CD-CD2 3.42Å; R140-H165 VanDerWaalsContact CD-NE2 3.32Å; R140-H165 WeakPolarHBondContact CD-NE2 3.44Å; R140-H165 PolarHBondContact NH1-NE2 3.18Å; H165-G170 WeakPolarHBondContact CB-O 3.11Å
166S89.7Confident85.5Confident1 Ų135.6 Ų35.61%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-69.3132.2170.9173.60000110.7K136 E168 F169 G170K136-S166 CarbonylContact O-C 3.32Å; K136-S166 WeakPolarHBondContact O-CA 3.21Å; S166-E168 PolarHBondContact O-N 3.17Å; S166-E168 PolarHBondContact OG-N 3.44Å; S166-F169 WeakPolarHBondContact OG-CD2 3.15Å; S166-F169 PolarHBondContact OG-N 2.87Å; S166-F169 VanDerWaalsContact OG-N 3.13Å; S166-G170 WeakPolarHBondContact CA-O 3.15Å; S166-G170 VanDerWaalsContact CB-O 3.3Å; S166-G170 WeakPolarHBondContact CB-O 3.25Å; S166-G170 PolarHBondContact N-O 2.88Å; S166-G170 WeakPolarHBondContact O-CA 3.46Å; S166-G170 PolarHBondContact O-N 3.46Å; S166-G170 VanDerWaalsContact O-N 3.14Å
167E88.3Confident84.3Confident52 Ų5236.9 Ų36.924%0.24318%0.176CC..THydrogen-bonded Turntrans-56.5-37.5172.3176.2175.5173.200111.7K136 I138 T317 T318K136-E167 HydrophobicContact CB-CB 4.3Å; K136-E167 WeakPolarHBondContact CD-OE2 3.09Å; K136-E167 IonicContact NZ-OE2 2.78Å; K136-E167 WeakPolarHBondContact O-CB 3.43Å; K136-E167 PolarHBondContact O-N 2.75Å; I138-E167 HydrophobicContact CD1-CB 4.1Å; I138-E167 HydrophobicContact CD1-CG 4.41Å; I138-E167 HydrophobicContact CG1-CB 4.07Å; E167-T317 WeakPolarHBondContact OE1-CB 3.31Å; E167-T317 WeakPolarHBondContact OE1-CG2 3.48Å; E167-T318 WeakPolarHBondContact OE2-CG2 3.32Å
168E82.1Confident83Confident96 Ų9641.5 Ų41.545%0.44919%0.193SC..THydrogen-bonded Turntrans-96.2-35.2-172.9-65.5177.6-161.700114S166 K179S166-E168 PolarHBondContact O-N 3.17Å; S166-E168 PolarHBondContact OG-N 3.44Å; E168-K179 IonicContact OE1-NZ 3.21Å; E168-K179 PolarHBondContact OE1-NZ 3.48Å; E168-K179 IonicContact OE2-NZ 2.64Å; E168-K179 PolarHBondContact OE2-NZ 2.9Å
169F74.6Confident81.9Confident69 Ų6945.2 Ų45.230%0.30321%0.209SC..THydrogen-bonded Turntrans-108.5-6.1-169.7-57.5-67.7000113.2S166 D171 R175 W176 K179S166-F169 WeakPolarHBondContact OG-CD2 3.15Å; S166-F169 PolarHBondContact OG-N 2.87Å; S166-F169 VanDerWaalsContact OG-N 3.13Å; F169-D171 PolarHBondContact O-N 3.21Å; F169-R175 HydrophobicContact CE1-CB 4.43Å; F169-W176 HydrophobicContact CD2-CB 3.86Å; F169-W176 AromaticContact CD2-CD1 3.96Å; F169-W176 HydrophobicContact CD2-CG 4.34Å; F169-W176 HydrophobicContact CE2-CB 4.3Å; F169-K179 HydrophobicContact CE2-CD 4.22Å; F169-K179 HydrophobicContact CZ-CD 4.44Å
170G76.1Confident80.6Confident15 Ų1545.2 Ų45.216%0.15521%0.207CC..BIsolated β-bridgetrans68.9-112.8-166.400000109.2H165 S166H165-G170 WeakPolarHBondContact CB-O 3.11Å; S166-G170 WeakPolarHBondContact CA-O 3.15Å; S166-G170 VanDerWaalsContact CB-O 3.3Å; S166-G170 WeakPolarHBondContact CB-O 3.25Å; S166-G170 PolarHBondContact N-O 2.88Å; S166-G170 WeakPolarHBondContact O-CA 3.46Å; S166-G170 PolarHBondContact O-N 3.46Å; S166-G170 VanDerWaalsContact O-N 3.14Å
171D72.7Confident79.2Confident49 Ų4947.8 Ų47.826%0.26222%0.218SC..SBendtrans-71.2142178.9-53-40.4000110.4F169 D173 R297F169-D171 PolarHBondContact O-N 3.21Å; D171-D173 PolarHBondContact O-N 2.79Å; D171-R297 IonicContact OD1-CZ 2.87Å; D171-R297 VanDerWaalsContact OD1-CZ 3.3Å; D171-R297 IonicContact OD1-NH1 3.56Å; D171-R297 PolarHBondContact OD1-NH1 3.13Å; D171-R297 IonicContact OD1-NH2 3.5Å; D171-R297 PolarHBondContact OD1-NH2 2.88Å; D171-R297 IonicContact OD2-NH2 2.92Å; D171-R297 PolarHBondContact OD2-NH2 3.24Å
172I70.9Confident77.3Confident8 Ų854.4 Ų54.44%0.04125%0.252CS..  trans-76.4116.3-175.6-72.7162.3000110.2N67 R70 I71 V137 W176N67-I172 WeakPolarHBondContact OD1-CB 3.37Å; N67-I172 WeakPolarHBondContact OD1-CD1 3.25Å; N67-I172 VanDerWaalsContact OD1-CG1 3.25Å; N67-I172 WeakPolarHBondContact OD1-CG1 3.19Å; N67-I172 PolarHBondContact OD1-N 3.08Å; R70-I172 HydrophobicContact CB-CG2 4.13Å; I71-I172 HydrophobicContact CB-CD1 4.48Å; I71-I172 HydrophobicContact CD1-CD1 3.49Å; I71-I172 VanDerWaalsContact CD1-CD1 3.49Å; I71-I172 HydrophobicContact CG1-CD1 3.07Å; V137-I172 HydrophobicContact CG2-CD1 4.23Å; I172-W176 HydrophobicContact CB-CD2 4.42Å; I172-W176 HydrophobicContact CB-CE3 4.5Å; I172-W176 HydrophobicContact CB-CG 4.49Å; I172-W176 HydrophobicContact CD1-CD2 4.32Å; I172-W176 HydrophobicContact CD1-CH2 4.38Å; I172-W176 HydrophobicContact CD1-CZ2 4.12Å; I172-W176 HydrophobicContact CG1-CD2 4Å; I172-W176 HydrophobicContact CG1-CE3 4.46Å; I172-W176 HydrophobicContact CG1-CG 4.04Å; I172-W176 HydrophobicContact CG2-CB 4.08Å; I172-W176 HydrophobicContact CG2-CD2 3.63Å; I172-W176 HydrophobicContact CG2-CE3 3.31Å; I172-W176 HydrophobicContact CG2-CG 4Å; I172-W176 HydrophobicContact CG2-CZ3 3.85Å
173D71.6Confident75.5Confident41 Ų4161.5 Ų61.522%0.21928%0.282CS..  trans-117.8-175.1177.466.815.3000111.6D171 R175 W176 E177D171-D173 PolarHBondContact O-N 2.79Å; D173-R175 PolarHBondContact O-N 3.05Å; D173-R175 VanDerWaalsContact O-N 3.15Å; D173-R175 WeakPolarHBondContact OD1-CA 3.31Å; D173-R175 WeakPolarHBondContact OD1-CB 3.3Å; D173-R175 PolarHBondContact OD1-N 3.2Å; D173-R175 IonicContact OD1-NE 3.21Å; D173-R175 IonicContact OD2-CZ 3.06Å; D173-R175 IonicContact OD2-NE 2.68Å; D173-R175 PolarHBondContact OD2-NE 3.33Å; D173-R175 IonicContact OD2-NH2 3.57Å; D173-R175 PolarHBondContact OD2-NH2 3.12Å; D173-W176 WeakPolarHBondContact O-CB 3.44Å; D173-W176 PolarHBondContact O-N 2.99Å; D173-W176 VanDerWaalsContact O-N 3.09Å; D173-W176 PolarHBondContact OD1-N 3.39Å; D173-E177 PolarHBondContact O-N 3.15Å
174E67.8Low73.4Confident127 Ų12762.7 Ų62.759%0.59329%0.292SS*.Hα-helixtrans-59.2-21.4176.6-62.1177.1-178.400113.7R178E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 2.85Å; E174-R178 PolarHBondContact O-NE 3.41Å; E174-R178 VanDerWaalsContact O-NE 3.15Å
175R70.3Confident71.1Confident140 Ų14067.8 Ų67.853%0.52832%0.319SS..Hα-helixtrans-73.2-38.5176.5-57.9177.6-77.3-173.1-5.6110.2F169 D173 K179F169-R175 HydrophobicContact CE1-CB 4.43Å; D173-R175 PolarHBondContact O-N 3.05Å; D173-R175 VanDerWaalsContact O-N 3.15Å; D173-R175 WeakPolarHBondContact OD1-CA 3.31Å; D173-R175 WeakPolarHBondContact OD1-CB 3.3Å; D173-R175 PolarHBondContact OD1-N 3.2Å; D173-R175 IonicContact OD1-NE 3.21Å; D173-R175 IonicContact OD2-CZ 3.06Å; D173-R175 IonicContact OD2-NE 2.68Å; D173-R175 PolarHBondContact OD2-NE 3.33Å; D173-R175 IonicContact OD2-NH2 3.57Å; D173-R175 PolarHBondContact OD2-NH2 3.12Å; R175-K179 PolarHBondContact O-N 2.8Å
176W78Confident68.8Low2 Ų272 Ų721%0.00835%0.35CS..Hα-helixtrans-65.2-43.3173.3-178.292.1000111.6R74 Y135 V137 F169 I172 D173 R178 K179 F180R74-W176 HydrophobicContact CB-CH2 3.7Å; R74-W176 HydrophobicContact CB-CZ3 4.12Å; R74-W176 HydrophobicContact CG-CH2 3.57Å; R74-W176 HydrophobicContact CG-CZ2 4.5Å; R74-W176 HydrophobicContact CG-CZ3 4.1Å; Y135-W176 PolarHBondContact O-NE1 3.01Å; V137-W176 HydrophobicContact CG2-CZ2 3.75Å; F169-W176 HydrophobicContact CD2-CB 3.86Å; F169-W176 AromaticContact CD2-CD1 3.96Å; F169-W176 HydrophobicContact CD2-CG 4.34Å; F169-W176 HydrophobicContact CE2-CB 4.3Å; I172-W176 HydrophobicContact CB-CD2 4.42Å; I172-W176 HydrophobicContact CB-CE3 4.5Å; I172-W176 HydrophobicContact CB-CG 4.49Å; I172-W176 HydrophobicContact CD1-CD2 4.32Å; I172-W176 HydrophobicContact CD1-CH2 4.38Å; I172-W176 HydrophobicContact CD1-CZ2 4.12Å; I172-W176 HydrophobicContact CG1-CD2 4Å; I172-W176 HydrophobicContact CG1-CE3 4.46Å; I172-W176 HydrophobicContact CG1-CG 4.04Å; I172-W176 HydrophobicContact CG2-CB 4.08Å; I172-W176 HydrophobicContact CG2-CD2 3.63Å; I172-W176 HydrophobicContact CG2-CE3 3.31Å; I172-W176 HydrophobicContact CG2-CG 4Å; I172-W176 HydrophobicContact CG2-CZ3 3.85Å; D173-W176 WeakPolarHBondContact O-CB 3.44Å; D173-W176 PolarHBondContact O-N 2.99Å; D173-W176 VanDerWaalsContact O-N 3.09Å; D173-W176 PolarHBondContact OD1-N 3.39Å; W176-R178 PolarHBondContact O-N 3.47Å; W176-K179 PolarHBondContact O-N 2.88Å; W176-F180 AromaticContact CD1-CE2 3.88Å; W176-F180 HydrophobicContact CD2-CD2 4.23Å; W176-F180 HydrophobicContact CD2-CE2 4.42Å; W176-F180 AromaticContact CE2-CE2 3.94Å; W176-F180 HydrophobicContact CG-CE2 4.44Å; W176-F180 HydrophobicContact CZ2-CD2 4.48Å; W176-F180 AromaticContact NE1-CE2 3.53Å; W176-F180 WeakPolarHBondContact O-CD2 3.35Å
177E73.5Confident66.7Low29 Ų2977.4 Ų77.414%0.13638%0.379CS..Hα-helixtrans-61.8-47.1-179.2-71-17614300112.6R70 R73 R74 D173 K179 F180 E181R70-E177 IonicContact NH1-OE2 3.36Å; R73-E177 IonicContact NH2-OE1 3.87Å; R73-E177 PolarHBondContact NH2-OE1 3.23Å; R74-E177 PolarHBondContact NH2-O 3.13Å; D173-E177 PolarHBondContact O-N 3.15Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 2.94Å; E177-F180 PolarHBondContact O-N 2.97Å; E177-E181 WeakPolarHBondContact O-CG 3.4Å; E177-E181 PolarHBondContact O-N 2.95Å; E177-E181 VanDerWaalsContact O-N 3.08Å
178R70.6Confident64.7Low136 Ų13677.3 Ų77.351%0.51338%0.382SS..Hα-helixtrans-59-37.9177.7-78-177.8-75.4-167.3-7.7113.3E174 W176 F180 E181 I182E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 2.85Å; E174-R178 PolarHBondContact O-NE 3.41Å; E174-R178 VanDerWaalsContact O-NE 3.15Å; W176-R178 PolarHBondContact O-N 3.47Å; R178-F180 PolarHBondContact O-N 2.68Å; R178-E181 PolarHBondContact O-N 3.34Å; R178-I182 WeakPolarHBondContact O-CG1 3.35Å; R178-I182 PolarHBondContact O-N 3.39Å
179K74.8Confident62.8Low78 Ų7881.2 Ų81.234%0.33940%0.397SS..Hα-helixtrans-59.8-31.5-179.5-170.9177.4-175.8178.20112.4E168 F169 R175 W176 E177E168-K179 IonicContact OE1-NZ 3.21Å; E168-K179 PolarHBondContact OE1-NZ 3.48Å; E168-K179 IonicContact OE2-NZ 2.64Å; E168-K179 PolarHBondContact OE2-NZ 2.9Å; F169-K179 HydrophobicContact CE2-CD 4.22Å; F169-K179 HydrophobicContact CZ-CD 4.44Å; R175-K179 PolarHBondContact O-N 2.8Å; W176-K179 PolarHBondContact O-N 2.88Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 2.94Å
180F70.2Confident61.4Low23 Ų2386.7 Ų86.710%0.10142%0.421CS..Hα-helixtrans-105.1-15.7-175.3-67.8-75.6000114.2R74 Y135 K136 W176 E177 R178 S184R74-F180 VanDerWaalsContact NH1-CB 3.31Å; Y135-F180 HydrophobicContact CD1-CB 4.41Å; Y135-F180 AromaticContact CD1-CD1 3.92Å; Y135-F180 HydrophobicContact CD1-CD1 3.92Å; Y135-F180 HydrophobicContact CD1-CE1 4.32Å; Y135-F180 HydrophobicContact CD1-CG 4.05Å; Y135-F180 WeakPolarHBondContact O-CE2 3.41Å; Y135-F180 WeakPolarHBondContact O-CZ 3.33Å; K136-F180 HydrophobicContact CB-CZ 4.37Å; K136-F180 HydrophobicContact CG-CZ 4.24Å; W176-F180 AromaticContact CD1-CE2 3.88Å; W176-F180 HydrophobicContact CD2-CD2 4.23Å; W176-F180 HydrophobicContact CD2-CE2 4.42Å; W176-F180 AromaticContact CE2-CE2 3.94Å; W176-F180 HydrophobicContact CG-CE2 4.44Å; W176-F180 HydrophobicContact CZ2-CD2 4.48Å; W176-F180 AromaticContact NE1-CE2 3.53Å; W176-F180 WeakPolarHBondContact O-CD2 3.35Å; E177-F180 PolarHBondContact O-N 2.97Å; R178-F180 PolarHBondContact O-N 2.68Å; F180-S184 PolarHBondContact O-N 3.4Å; F180-S184 PolarHBondContact O-OG 3.34Å
181E65.1Low60Low98 Ų9890.7 Ų90.746%0.45844%0.439SS..Hα-helixtrans-68.2-42.2169.3-77169.2-17300111.9R74 E177 R178 K183 S184R74-E181 IonicContact NH2-OE1 3.85Å; E177-E181 WeakPolarHBondContact O-CG 3.4Å; E177-E181 PolarHBondContact O-N 2.95Å; E177-E181 VanDerWaalsContact O-N 3.08Å; R178-E181 PolarHBondContact O-N 3.34Å; E181-K183 PolarHBondContact O-N 2.9Å; E181-K183 VanDerWaalsContact O-N 3.09Å; E181-S184 PolarHBondContact O-N 3.1Å; E181-S184 PolarHBondContact O-OG 3.13Å
182I56Low58.6Low138 Ų13894.6 Ų94.671%0.70846%0.455SS*.Hα-helixtrans-62.1-23.8179.7-62.2167.8000112.2R178R178-I182 WeakPolarHBondContact O-CG1 3.35Å; R178-I182 PolarHBondContact O-N 3.39Å
183K54.3Low56.9Low152 Ų152100.8 Ų100.866%0.66149%0.488SS*.Hα-helixtrans-91.1-17.8177.2-75.4-173.1177.1-175.70114.2E181E181-K183 PolarHBondContact O-N 2.9Å; E181-K183 VanDerWaalsContact O-N 3.09Å
184S49.4Very low55.6Low47 Ų47106 Ų10633%0.32951%0.512SS..Hα-helixtrans-82.3-19.6178.946.80000113.4F180 E181 S186 D187 T188F180-S184 PolarHBondContact O-N 3.4Å; F180-S184 PolarHBondContact O-OG 3.34Å; E181-S184 PolarHBondContact O-N 3.1Å; E181-S184 PolarHBondContact O-OG 3.13Å; S184-S186 PolarHBondContact O-N 3.29Å; S184-S186 VanDerWaalsContact O-N 3.1Å; S184-D187 CarbonylContact O-C 3.54Å; S184-D187 WeakPolarHBondContact O-CA 3.4Å; S184-D187 PolarHBondContact O-N 3.18Å; S184-T188 VanDerWaalsContact C-OG1 3.27Å; S184-T188 PolarHBondContact O-N 2.94Å; S184-T188 PolarHBondContact O-OG1 3.4Å
185D44.6Very low54.7Low110 Ų110108.4 Ų108.459%0.58852%0.521SS*.Hα-helixtrans-64-16.1-176.3-82.7-13.7000115.9D187 T188D185-D187 VanDerWaalsContact C-N 3.35Å; D185-T188 VanDerWaalsContact CA-OG1 3.28Å; D185-T188 WeakPolarHBondContact CA-OG1 3.5Å; D185-T188 PolarHBondContact OD1-OG1 2.96Å; D185-T188 VanDerWaalsContact OD1-OG1 3.13Å
186S43.6Very low53.2Low101 Ų101112.2 Ų112.271%0.70654%0.536SS*.Hα-helixtrans-75.4-22.6167.256.60000113.7S184S184-S186 PolarHBondContact O-N 3.29Å; S184-S186 VanDerWaalsContact O-N 3.1Å
187D46.9Very low51.4Low115 Ų115119.1 Ų119.162%0.61557%0.571SS**Hα-helixtrans-100.5-19.2178.3-69.8-25.6000112.7S184 D185 K189 K190S184-D187 CarbonylContact O-C 3.54Å; S184-D187 WeakPolarHBondContact O-CA 3.4Å; S184-D187 PolarHBondContact O-N 3.18Å; D185-D187 VanDerWaalsContact C-N 3.35Å; D187-K189 VanDerWaalsContact C-N 3.32Å; D187-K189 PolarHBondContact O-N 3.46Å; D187-K190 PolarHBondContact O-N 2.97Å
188T45Very low49.5Very low49 Ų49122.7 Ų122.730%0.30160%0.599SS.*Hα-helixtrans-66.4-27.1-173.8-360000113.9S184 D185 K190 N191 E192S184-T188 VanDerWaalsContact C-OG1 3.27Å; S184-T188 PolarHBondContact O-N 2.94Å; S184-T188 PolarHBondContact O-OG1 3.4Å; D185-T188 VanDerWaalsContact CA-OG1 3.28Å; D185-T188 WeakPolarHBondContact CA-OG1 3.5Å; D185-T188 PolarHBondContact OD1-OG1 2.96Å; D185-T188 VanDerWaalsContact OD1-OG1 3.13Å; T188-K190 PolarHBondContact O-N 3.24Å; T188-N191 PolarHBondContact O-N 3.02Å; T188-E192 PolarHBondContact O-N 3.44Å
189K42.6Very low47.6Very low179 Ų179121 Ų12178%0.77861%0.608SS**THydrogen-bonded Turntrans-59.2-20.3176.7-80.6-174.1176.7179.60113.8D187D187-K189 VanDerWaalsContact C-N 3.32Å; D187-K189 PolarHBondContact O-N 3.46Å
190K44.6Very low45.4Very low183 Ų183127.5 Ų127.580%0.79664%0.637SS**THydrogen-bonded Turntrans-87.8-19.3177.1-152.3172.4-177.5174.90113.4D187 T188D187-K190 PolarHBondContact O-N 2.97Å; T188-K190 PolarHBondContact O-N 3.24Å
191N47.7Very low43.4Very low99 Ų99131.4 Ų131.453%0.52966%0.664SS.*THydrogen-bonded Turntrans-95.9-18.6-179-80.1-26.5000114T188 L193 M194 K195T188-N191 PolarHBondContact O-N 3.02Å; N191-L193 PolarHBondContact O-N 3.31Å; N191-M194 PolarHBondContact O-N 3.05Å; N191-M194 VanDerWaalsContact O-N 3.16Å; N191-K195 PolarHBondContact O-N 2.92Å
192E42.2Very low41.7Very low131 Ų131137.9 Ų137.961%0.61269%0.685SS**THydrogen-bonded Turntrans-61.8-25173.5-95.5178.4145.300113.3T188T188-E192 PolarHBondContact O-N 3.44Å
193L37.1Very low40.5Very low138 Ų138137.4 Ų137.472%0.72369%0.688SS**THydrogen-bonded Turntrans-74.6-25.2176.7-161.865.3000113.1N191N191-L193 PolarHBondContact O-N 3.31Å
194M44.3Very low39.1Very low150 Ų150138.2 Ų138.274%0.73970%0.7SS**THydrogen-bonded Turntrans-87.3-23177.2-83.4-165.5167.100113.8N191 R196N191-M194 PolarHBondContact O-N 3.05Å; N191-M194 VanDerWaalsContact O-N 3.16Å; M194-R196 VanDerWaalsContact C-N 3.27Å; M194-R196 PolarHBondContact O-N 3.41Å
195K47.6Very low38.4Very low178 Ų178141.9 Ų141.977%0.77472%0.722SS**THydrogen-bonded Turntrans-74.4-11.2177.9-84.8-176176179.60114.5N191 I197N191-K195 PolarHBondContact O-N 2.92Å; K195-I197 VanDerWaalsContact C-N 3.32Å
196R39.8Very low37.6Very low221 Ų221142.2 Ų142.283%0.83473%0.733SS**THydrogen-bonded Turntrans-83.81176.6-74.6-174.1178.5173.20.7114.5M194M194-R196 VanDerWaalsContact C-N 3.27Å; M194-R196 PolarHBondContact O-N 3.41Å
197I39.3Very low37.1Very low146 Ų146145.5 Ų145.575%0.74974%0.741SS**SBendtrans-110.5-0.1-172.2-61.4173.3000113.2K195K195-I197 VanDerWaalsContact C-N 3.32Å
198S33.6Very low36.3Very low105 Ų105144.7 Ų144.773%0.73475%0.745SS**  trans-13073.8176.666.10000112.5
199S31.4Very low35.7Very low100 Ų100150.7 Ų150.770%0.69977%0.769SS**  trans-107.8107.4165.355.50000109.4
200F27.1Very low35.2Very low215 Ų215148.9 Ų148.994%0.94377%0.768SS**  trans-133.7122.6155.5-96.3-80.1000108.4
201P28.8Very low34.5Very low104 Ų104147.4 Ų147.468%0.67577%0.769SS**  trans-96.6160.6-172.336.8-33.4000112.5
202R29.4Very low33.8Very low235 Ų235151.8 Ų151.889%0.88779%0.786SS**  trans159141.2149.6-87153-160.3-116.87.8108.6
203T31.2Very low33Very low128 Ų128157.2 Ų157.279%0.78580%0.801SS**  cis-177.6133.9-3.821.90000104.6
204N25.2Very low32.7Very low169 Ų169156.7 Ų156.790%0.90480%0.803SS**  trans-85151.7167.6-85.9-15.6000110.4
205P33.8Very low31.8Very low123 Ų123157.2 Ų157.280%0.79981%0.809SS**  trans-120.2126.8146.916.73000111.6
206S27.8Very low31.1Very low117 Ų117154.8 Ų154.882%0.81881%0.809SS**  trans-70.6135.8167.746.60000112
207I33.5Very low30.7Very low170 Ų170150.4 Ų150.487%0.87281%0.807SS**  trans-134.1115.1154.9-63.2179.4000107.9
208S29.3Very low30.1Very low98 Ų98150.9 Ų150.969%0.68581%0.811SS**  trans-79.2141.216447.90000110.1
209E33.3Very low29.9Very low176 Ų176157.7 Ų157.782%0.82282%0.821SS**  trans179.8125.5130.3-100.3172.8-171.800113.3
210N32.6Very low29.6Very low140 Ų140161.4 Ų161.475%0.74983%0.827SS**  trans57.9105.4139.6-69.4-21.8000123.1
211N29.1Very low29.8Very low152 Ų152159 Ų15981%0.81382%0.824SS**  15.4122.5124.7-75.9-22.1000118.9
212Q32.4Very low29.7Very low192 Ų192158.9 Ų158.990%0.89783%0.825SS**  -164.8124.7117.5-104.1168.721.500111.7
213R26.6Very low29.7Very low245 Ų245158.8 Ų158.893%0.92583%0.827SS**  trans-75.4131.2168.5-95.1174.3168.6169.5-3109.3
214V31.3Very low29.4Very low127 Ų127158.4 Ų158.477%0.7782%0.824SS**  trans-138.6117.5153.6-175.40000109.1V216V214-V216 HydrophobicContact CG1-CG2 4.04Å
215N25.5Very low29.6Very low160 Ų160158 Ų15886%0.85682%0.816SS**  trans-78.6132164.4-79.7-27.5000108.6
216V32.7Very low29.5Very low128 Ų128160.4 Ų160.478%0.77681%0.814SS**  trans-136.5132.2157.5-176.30000109.8V214V214-V216 HydrophobicContact CG1-CG2 4.04Å
217T31.1Very low29.3Very low128 Ų128166 Ų16679%0.78582%0.817SS**  trans-76154.6-173.444.70000114.7
218N25.7Very low29.1Very low156 Ų156165.6 Ų165.683%0.83482%0.817SS**  trans-30142.5167.8-70.3-17.9000117
219R30.2Very low29Very low249 Ų249167.6 Ų167.694%0.9483%0.83SS**  -158.2129.3129.6-112173.5-177.2-178.50.9111.9
220E25.8Very low28.9Very low178 Ų178165.3 Ų165.383%0.83283%0.827SS**  trans-64.5148.2175.4-62.1165.7141.700111.4
221N30.5Very low28.8Very low165 Ų165166.1 Ų166.188%0.88283%0.832SS**  trans-158.8126.9138.8-102.8-19.5000111.8
222S25.8Very low28.9Very low100 Ų100163.9 Ų163.970%0.69983%0.828SS**  trans-74136.9-178.3-52.80000112.4
223Y29.7Very low29Very low234 Ų234159.8 Ų159.892%0.91882%0.816SS**  trans-145.2118.7145.2-85-75.2000110.9
224T24.9Very low29.1Very low119 Ų119151.4 Ų151.473%0.7380%0.795SS**  trans-73133.3173.647.80000111.3
225H31Very low28.9Very low160 Ų160151.4 Ų151.474%0.74180%0.796SS**  trans-171.6126.6133.7-109-69.6000113.9
226K29.8Very low29.1Very low175 Ų175151.7 Ų151.776%0.76180%0.796SS**  trans6898.4145-78.1166.3179.5177.50120.3
227R25.5Very low28.9Very low233 Ų233153.9 Ų153.988%0.87980%0.796SS**  37108.5122.6-66.2-179.8-178.5167.81.1116.8
228D29.2Very low28.7Very low162 Ų162152.4 Ų152.487%0.86680%0.796SS**  -159.5143.1123.8-87.2-32.9000110.3V230D228-V230 PolarHBondContact O-N 2.79Å
229C25.8Very low28.8Very low140 Ų140155.9 Ų155.995%0.94680%0.799SS**  trans-55.9122.5-171.2-89.50000113.5
230V31.4Very low28.6Very low128 Ų128153 Ų15378%0.77679%0.794SS**  trans-126128.8168-173.70000108.2D228 S232D228-V230 PolarHBondContact O-N 2.79Å; V230-S232 PolarHBondContact O-N 3.46Å
231D31.2Very low28.7Very low157 Ų157150.4 Ų150.484%0.8479%0.794SS**  trans-51.6108.9174.8-100.5-31.1000110.4T233D231-T233 PolarHBondContact O-N 3.33Å; D231-T233 VanDerWaalsContact O-N 3.15Å
232S31.5Very low28.4Very low106 Ų106149.3 Ų149.374%0.74179%0.788SS**  trans-73.8103.6174.5-58.30000110.9V230V230-S232 PolarHBondContact O-N 3.46Å
233T33.3Very low28.7Very low106 Ų106149.5 Ų149.565%0.6579%0.789SS**  25.6110.8128.640.10000118.4D231D231-T233 PolarHBondContact O-N 3.33Å; D231-T233 VanDerWaalsContact O-N 3.15Å
234S29.7Very low28.6Very low69 Ų69147.1 Ų147.148%0.48378%0.784SS.*  trans9.5117.9139.758.10000119.8R63R63-S234 PolarHBondContact NH1-OG 3.49Å
235T27.8Very low29Very low126 Ų126149.1 Ų149.177%0.77379%0.788SS**  trans-165.689131.113.80000108.1F237T235-F237 PolarHBondContact O-N 3.47Å
236L29.3Very low29.1Very low167 Ų167148.5 Ų148.587%0.87479%0.79SS**  trans-8398.5167.7-103.6158.5000107.8A238L236-A238 PolarHBondContact O-N 3.12Å
237F27.7Very low29.1Very low174 Ų174147.9 Ų147.976%0.76380%0.795SS**  trans-67.1118.9161-88.5-87.7000108.6T235 Y239T235-F237 PolarHBondContact O-N 3.47Å; F237-Y239 PolarHBondContact O-N 3.46Å
238A26.4Very low29.4Very low96 Ų96146.5 Ų146.579%0.79380%0.795SS**  trans-66113.217300000110.1L236L236-A238 PolarHBondContact O-N 3.12Å
239Y27.7Very low29.8Very low229 Ų229144.2 Ų144.290%0.89879%0.792SS**  trans-89104.8161.6-96-87.6000108.9F237F237-Y239 PolarHBondContact O-N 3.46Å
240K26.8Very low30Very low190 Ų190142.7 Ų142.783%0.82678%0.783SS**  trans-77.2119.2162-102.8179174.2177.20108
241C27.1Very low30Very low122 Ų122145.9 Ų145.982%0.82479%0.787SS**  trans-94.7106.5160.7-163.70000108.3
242N25.3Very low29.9Very low143 Ų143147.8 Ų147.877%0.76579%0.788SS**  trans-94.9114.1166.7-105.2-2.5000107.4
243S32.5Very low29.7Very low103 Ų103146.4 Ų146.472%0.7279%0.79SS**  trans-13397.315451.40000108.8
244K27.1Very low29.6Very low185 Ų185146.3 Ų146.380%0.80480%0.8SS**  trans-72.1126.5158.1-71.8179.8175-178.50107.1
245I33.5Very low29.7Very low161 Ų161148.2 Ų148.283%0.82681%0.813SS**  trans-131.8120.2153.9-63.6-177.9000106.5
246D32.6Very low29.7Very low147 Ų147148.3 Ų148.379%0.78681%0.813SS**  trans-70145.5-175.9-68.7-55.3000112.8
247N29.7Very low29.8Very low161 Ų161149.3 Ų149.386%0.86181%0.811SS**  trans-80.9132.9171.4-85.1-35.4000111.2
248K33Very low29.9Very low204 Ų204146.3 Ų146.389%0.88781%0.811SS**  trans-164144.3142.6-108.2168.4-172.3-177.90112.4
249S35.6Very low30.3Very low115 Ų115147.6 Ų147.680%0.80481%0.814SS**  trans74.893164.563.20000121.7
250S30.2Very low30.6Very low107 Ų107145.8 Ų145.875%0.74881%0.814SS**  24.4119.8115.9-157.70000119.6
251F31.4Very low30.9Very low196 Ų196141.9 Ų141.986%0.8681%0.806SS**  -171.6155.8114.9-118.7-94.9000112.2
252K29.8Very low31.3Very low197 Ų197144.5 Ų144.586%0.85781%0.81SS**  trans-74.5154.2-165.5-64.5167.2171.9174.80115.1
253G28.5Very low31.8Very low77 Ų77142.8 Ų142.879%0.79481%0.809SS**  trans116.6116.8132.300000118.9
254A30.6Very low31.9Very low104 Ų104142.7 Ų142.786%0.8680%0.801SS**  trans84.7116.214800000121.9
255S31.3Very low32.5Very low108 Ų108141.1 Ų141.176%0.75580%0.801SS**  trans74.9102.5135.2-160.30000121.6
256V28.4Very low32.7Very low128 Ų128141.7 Ų141.778%0.77681%0.805SS**  trans28.5107.1132.4-168.70000117.6
257K30.1Very low32.9Very low189 Ų189138.9 Ų138.982%0.82279%0.794SS**  179.7131.8128.5-97.9165.7-171.7-177.70110.6
258S29.8Very low33.2Very low110 Ų110139.8 Ų139.877%0.76979%0.793SS**  trans40.5119.2152.459.80000119.8
259S35.2Very low33.6Very low123 Ų123135.5 Ų135.586%0.8679%0.788SS**  trans-145.983.5153.4-69.50000110.8
260Q35.3Very low33.7Very low191 Ų191135.5 Ų135.589%0.89378%0.779SS**  trans-78.391.9153.8-71.3175.6-5.700107.9
261T33.1Very low33.9Very low108 Ų108133.9 Ų133.966%0.66378%0.779SS**  trans-173.174.6157.82.10000112.3
262I33.6Very low34.4Very low177 Ų177134.6 Ų134.691%0.90879%0.785SS**  trans-13972.8156.7-51.7179000107.9
263S36.8Very low35.1Very low107 Ų107128.3 Ų128.375%0.74878%0.776SS**  trans-164.453168.551.10000111.1
264N35.5Very low37Very low101 Ų101128.5 Ų128.554%0.5478%0.778SS.*  trans-125.27.7-178.8-86.9-7.2000115.7T267N264-T267 PolarHBondContact O-OG1 3.47Å
265N38.1Very low39.5Very low152 Ų152126 Ų12681%0.81375%0.754SS**SBendtrans-103.314.6-174.6-70.6-2.5000115.5
266L37.7Very low42Very low173 Ų173125.8 Ų125.891%0.90675%0.748SS**SBendtrans-124.38.6171.3-101.6113.5000114.2
267T37.5Very low44.8Very low89 Ų89120.2 Ų120.255%0.54672%0.715SS.*  trans-1002.4-177.820.40000114N264 S269N264-T267 PolarHBondContact O-OG1 3.47Å; T267-S269 PolarHBondContact O-N 3.15Å
268Q35.6Very low47.1Very low180 Ų180113.7 Ų113.784%0.84170%0.701SS**THydrogen-bonded Turntrans-87.44.4-173.7-74.5-176.61.600115.8
269S40.7Very low49.6Very low113 Ų113111.7 Ų111.779%0.7969%0.687SS**THydrogen-bonded Turntrans-111.79.8173.480.30000114.7T267T267-S269 PolarHBondContact O-N 3.15Å
270L39.1Very low51.9Low115 Ų115113 Ų11360%0.60267%0.673SS**SBendtrans-116.4100.7170.1-83.5147.6000106.9Q272L270-Q272 PolarHBondContact O-N 3.06Å; L270-Q272 VanDerWaalsContact O-N 3.15Å
271G34.1Very low54.3Low74 Ų74108.3 Ų108.376%0.76365%0.653SS**  trans-48.6122.7174.400000110.6G273G271-G273 VanDerWaalsContact C-N 3.25Å; G271-G273 PolarHBondContact O-N 3.22Å
272Q40.9Very low56.9Low211 Ų211107 Ų10799%0.98665%0.646SS**SBendtrans18.348.1157.5-68.7179.1-18.700118.9L270L270-Q272 PolarHBondContact O-N 3.06Å; L270-Q272 VanDerWaalsContact O-N 3.15Å
273G45.8Very low59.5Low64 Ų64102.9 Ų102.966%0.6663%0.628SS**  trans-163.961.7-173.800000113.7G271G271-G273 VanDerWaalsContact C-N 3.25Å; G271-G273 PolarHBondContact O-N 3.22Å
274G67.8Low62.1Low82 Ų82100 Ų10085%0.84561%0.607SS**  trans-68.1132.3172.600000111.9
275C82.4Confident64.7Low52 Ų52105.2 Ų105.235%0.35162%0.62SS.*  trans-69.9146.2168.5-176.40000111C277 C284C275-C277 HydrophobicContact CB-CB 3.9Å; C275-C277 WeakPolarHBondContact CB-SG 3.48Å; C275-C277 PolarHBondContact O-N 3.45Å; C275-C277 VanDerWaalsContact O-N 3.11Å; C275-C277 WeakPolarHBondContact SG-CB 3.04Å; C275-C277 PolarHBondContact SG-N 3.2Å; C275-C277 CovalentContact SG-SG 2.07Å; C275-C277 PolarHBondContact SG-SG 3.03Å; C275-C284 PolarHBondContact SG-SG 3.5Å
276V84.5Confident67Low102 Ų102100.3 Ų100.362%0.61861%0.605SS**G310 helixtrans-66.6-1.5166.1-60.20000114.7G278V276-G278 PolarHBondContact O-N 3.23Å
277C86.4Confident69.4Low12 Ų1294 Ų948%0.08158%0.575CS.*G310 helixtrans-64.4-27.3-177.3-53.40000112.4C275 S279 R280 T282 C284 C287C275-C277 HydrophobicContact CB-CB 3.9Å; C275-C277 WeakPolarHBondContact CB-SG 3.48Å; C275-C277 PolarHBondContact O-N 3.45Å; C275-C277 VanDerWaalsContact O-N 3.11Å; C275-C277 WeakPolarHBondContact SG-CB 3.04Å; C275-C277 PolarHBondContact SG-N 3.2Å; C275-C277 CovalentContact SG-SG 2.07Å; C275-C277 PolarHBondContact SG-SG 3.03Å; C277-S279 PolarHBondContact O-N 3.35Å; C277-R280 PolarHBondContact O-N 3.3Å; C277-T282 WeakPolarHBondContact CB-O 3.15Å; C277-C284 WeakPolarHBondContact SG-CB 3.48Å; C277-C284 PolarHBondContact SG-N 3.19Å; C277-C284 PolarHBondContact SG-SG 3.27Å; C277-C287 VanDerWaalsContact CB-SG 3.59Å; C277-C287 PolarHBondContact SG-SG 2.86Å
278G80.4Confident71.8Confident52 Ų5298.8 Ų98.854%0.53658%0.583SS.*G310 helixtrans-63.3-6.7-172.700000115.8V276 R371V276-G278 PolarHBondContact O-N 3.23Å; G278-R371 WeakPolarHBondContact O-CD 3.39Å; G278-R371 PolarHBondContact O-NH1 3.43Å
279S81.2Confident74.3Confident67 Ų6797.6 Ų97.647%0.46958%0.577SS.*G310 helixtrans-127.89.617666.10000113.7C277C277-S279 PolarHBondContact O-N 3.35Å
280R84.3Confident76.4Confident151 Ų15196.8 Ų96.857%0.5756%0.563SS**SBendtrans-128.2148.6-175.8-62.7-175.7179.7-168.9-0.2109.3C277 T282 L373C277-R280 PolarHBondContact O-N 3.3Å; R280-T282 WeakPolarHBondContact CB-OG1 3.33Å; R280-T282 PolarHBondContact O-N 2.94Å; R280-L373 WeakPolarHBondContact O-CD1 3.27Å
281L85.6Confident78.5Confident92 Ų9296.8 Ų96.848%0.48257%0.57SS.*SBendtrans-76.646.1169.7-70168.2000110.7L373 D375 F525L281-L373 HydrophobicContact CD2-CB 3.48Å; L281-L373 VanDerWaalsContact CD2-CB 3.48Å; L281-L373 HydrophobicContact CG-CB 4.04Å; L281-D375 HydrophobicContact CD1-CB 3.4Å; L281-D375 VanDerWaalsContact CD1-CB 3.4Å; L281-F525 HydrophobicContact CD1-CE1 4.18Å; L281-F525 HydrophobicContact CD2-CE1 4.48Å
282T87.3Confident80.6Confident82 Ų82104.9 Ų104.950%0.50358%0.578SS.*  trans-136.8147.6178.961.90000109.8C277 R280C277-T282 WeakPolarHBondContact CB-O 3.15Å; R280-T282 WeakPolarHBondContact CB-OG1 3.33Å; R280-T282 PolarHBondContact O-N 2.94Å
283V87.4Confident82.2Confident90 Ų9096.8 Ų96.855%0.54555%0.547SS..  trans-121.7125178.7-690000110.1C287 R288V283-C287 HydrophobicContact CB-CB 4.42Å; V283-R288 HydrophobicContact CB-CG 4.41Å; V283-R288 HydrophobicContact CG2-CG 4.2Å
284C91Very high83.6Confident45 Ų4597.5 Ų97.530%0.30454%0.54SS..  trans-82.1172.7171.7790000110.7C275 C277 G286 C287 R288C275-C284 PolarHBondContact SG-SG 3.5Å; C277-C284 WeakPolarHBondContact SG-CB 3.48Å; C277-C284 PolarHBondContact SG-N 3.19Å; C277-C284 PolarHBondContact SG-SG 3.27Å; C284-G286 VanDerWaalsContact C-N 3.28Å; C284-G286 PolarHBondContact O-N 3.35Å; C284-G286 PolarHBondContact SG-N 3.17Å; C284-C287 PolarHBondContact O-N 2.77Å; C284-C287 PolarHBondContact SG-N 3.47Å; C284-C287 VanDerWaalsContact SG-N 3.39Å; C284-R288 PolarHBondContact O-N 2.7Å
285R90.2Very high84Confident212 Ų212100.3 Ų100.380%0.854%0.541SS*.Hα-helixtrans-55.2-43.5173.6-67.8-175.7-179.4179.10.3111.7C287 R288 H289R285-C287 PolarHBondContact O-N 2.7Å; R285-R288 PolarHBondContact O-N 2.74Å; R285-H289 PolarHBondContact O-N 3.36Å; R285-H289 PolarHBondContact O-ND1 3Å
286G88Confident83.9Confident49 Ų4998.7 Ų98.751%0.50553%0.529SS..Hα-helixtrans-57.7-46.7177.800000113.4C284 R288 H289 L290C284-G286 VanDerWaalsContact C-N 3.28Å; C284-G286 PolarHBondContact O-N 3.35Å; C284-G286 PolarHBondContact SG-N 3.17Å; G286-R288 VanDerWaalsContact C-N 3.31Å; G286-R288 PolarHBondContact O-N 3.39Å; G286-H289 PolarHBondContact O-N 3.17Å; G286-H289 VanDerWaalsContact O-N 3.16Å; G286-L290 PolarHBondContact O-N 3.09Å
287C88.2Confident83.7Confident41 Ų4198.8 Ų98.828%0.27752%0.519SS..Hα-helixtrans-62.9-34.8178.2-68.70000113.2C277 V283 C284 R285 H289 L290C277-C287 VanDerWaalsContact CB-SG 3.59Å; C277-C287 PolarHBondContact SG-SG 2.86Å; V283-C287 HydrophobicContact CB-CB 4.42Å; C284-C287 PolarHBondContact O-N 2.77Å; C284-C287 PolarHBondContact SG-N 3.47Å; C284-C287 VanDerWaalsContact SG-N 3.39Å; R285-C287 PolarHBondContact O-N 2.7Å; C287-H289 VanDerWaalsContact C-N 3.26Å; C287-H289 PolarHBondContact O-N 3.4Å; C287-L290 PolarHBondContact O-N 3.1Å
288R87.1Confident83.5Confident189 Ų189101 Ų10171%0.71353%0.525SS*.Hα-helixtrans-68.3-24.9177.5-68.9-177.6178.9-165.5-1.7113.4V283 C284 R285 G286V283-R288 HydrophobicContact CB-CG 4.41Å; V283-R288 HydrophobicContact CG2-CG 4.2Å; C284-R288 PolarHBondContact O-N 2.7Å; R285-R288 PolarHBondContact O-N 2.74Å; G286-R288 VanDerWaalsContact C-N 3.31Å; G286-R288 PolarHBondContact O-N 3.39Å
289H88.7Confident83.6Confident155 Ų15599.9 Ų99.972%0.71851%0.514SS*.THydrogen-bonded Turntrans-97.52.8179.6-63.392.9000113.2R285 G286 C287R285-H289 PolarHBondContact O-N 3.36Å; R285-H289 PolarHBondContact O-ND1 3Å; G286-H289 PolarHBondContact O-N 3.17Å; G286-H289 VanDerWaalsContact O-N 3.16Å; C287-H289 VanDerWaalsContact C-N 3.26Å; C287-H289 PolarHBondContact O-N 3.4Å
290L84.2Confident84Confident95 Ų9597.2 Ų97.250%0.49750%0.497SS..SBendtrans-58.5141.2172.9-74172.1000109.8G286 C287 R292G286-L290 PolarHBondContact O-N 3.09Å; C287-L290 PolarHBondContact O-N 3.1Å; L290-R292 PolarHBondContact O-N 3.38Å
291P83.4Confident84.3Confident116 Ų11692.2 Ų92.275%0.75348%0.484SS*.PPolyproline II helixtrans-56.5140.9177.624-32.9000109.5A293P291-A293 PolarHBondContact O-N 2.94Å
292R77.4Confident84.7Confident244 Ų24490.4 Ų90.492%0.92147%0.474SS*.PPolyproline II helixtrans-57.6133.4175.1-69.7-176.4178.4-176.8-0.2108.2L290L290-R292 PolarHBondContact O-N 3.38Å
293A74.9Confident85Confident41 Ų4186.9 Ų86.934%0.33945%0.454SS..PPolyproline II helixtrans-52.2146.2173.700000109.8P291P291-A293 PolarHBondContact O-N 2.94Å
294P75Confident85.4Confident78 Ų7883.9 Ų83.951%0.50643%0.433SS..PPolyproline II helixtrans-51.9150.3-179.620.1-32.1000111.3V296 I314P294-V296 WeakPolarHBondContact O-CG2 3.4Å; P294-V296 PolarHBondContact O-N 2.72Å; P294-V296 VanDerWaalsContact O-N 3.15Å; P294-I314 HydrophobicContact CG-CD1 3.67Å; P294-I314 HydrophobicContact CG-CG1 4.26Å
295T76.3Confident85.6Confident141 Ų14184.2 Ų84.287%0.86543%0.428SS*.PPolyproline II helixtrans-63.1118.3173.145.70000108.3
296V80.3Confident85.9Confident18 Ų1874.1 Ų74.111%0.10939%0.39CS..  trans-111.4141.8179.2174.20000107.5P294 R298 H313 I314P294-V296 WeakPolarHBondContact O-CG2 3.4Å; P294-V296 PolarHBondContact O-N 2.72Å; P294-V296 VanDerWaalsContact O-N 3.15Å; V296-R298 WeakPolarHBondContact O-CG 3.34Å; V296-R298 PolarHBondContact O-N 2.91Å; V296-R298 VanDerWaalsContact O-N 3.08Å; V296-H313 WeakPolarHBondContact CG1-O 3.27Å; V296-I314 HydrophobicContact CG2-CG1 3.82Å
297R80.2Confident86.3Confident105 Ų10571.8 Ų71.840%0.39637%0.366SS..  trans-59.6115.7174.2-64.1-173.3-176.4-118.1-1.4109.4R140 D171 Q316R140-R297 PolarHBondContact NH1-O 3.33Å; R140-R297 PolarHBondContact NH2-O 3.25Å; D171-R297 IonicContact OD1-CZ 2.87Å; D171-R297 VanDerWaalsContact OD1-CZ 3.3Å; D171-R297 IonicContact OD1-NH1 3.56Å; D171-R297 PolarHBondContact OD1-NH1 3.13Å; D171-R297 IonicContact OD1-NH2 3.5Å; D171-R297 PolarHBondContact OD1-NH2 2.88Å; D171-R297 IonicContact OD2-NH2 2.92Å; D171-R297 PolarHBondContact OD2-NH2 3.24Å; R297-Q316 PolarHBondContact O-NE2 3.46Å; R297-Q316 PolarHBondContact O-OE1 3.3Å
298R83.2Confident86.6Confident57 Ų5770 Ų7022%0.21535%0.354CS..  trans-112.2-0.7178.3-68.6173.1-164-76.6-44114.1V296 G300 R305 R312V296-R298 WeakPolarHBondContact O-CG 3.34Å; V296-R298 PolarHBondContact O-N 2.91Å; V296-R298 VanDerWaalsContact O-N 3.08Å; R298-G300 PolarHBondContact O-N 3.43Å; R298-R305 PolarHBondContact O-NE 2.65Å; R298-R312 VanDerWaalsContact NH1-NE 3.12Å
299G82.9Confident87Confident30 Ų3061 Ų6131%0.30932%0.32SS..  trans-52.4139.8-179.600000111.6R140R140-G299 PolarHBondContact NE-O 3.44Å; R140-G299 VanDerWaalsContact NE-O 3.17Å; R140-G299 VanDerWaalsContact NH2-N 3.19Å; R140-G299 PolarHBondContact NH2-O 3.06Å
300G88.1Confident87.3Confident11 Ų1154 Ų5411%0.11329%0.288CS..SBendtrans138.1166.2-172.100000110.7R140 R298 R305R140-G300 WeakPolarHBondContact O-CA 3.42Å; R298-G300 PolarHBondContact O-N 3.43Å; G300-R305 PolarHBondContact O-NE 3.18Å; G300-R305 PolarHBondContact O-NH2 3.21Å
301T91.9Very high87.7Confident46 Ų4650.3 Ų50.328%0.28227%0.268SS..  trans-85.4136.3-179.2-59.60000112.2D141 K143 F304D141-T301 WeakPolarHBondContact OD1-CB 3.43Å; D141-T301 PolarHBondContact OD1-N 3.48Å; D141-T301 PolarHBondContact OD1-OG1 3.48Å; K143-T301 HydrophobicContact CD-CG2 4.14Å; K143-T301 WeakPolarHBondContact CD-OG1 3.24Å; K143-T301 WeakPolarHBondContact CE-OG1 3.19Å; K143-T301 PolarHBondContact NZ-OG1 3.08Å; T301-F304 HydrophobicContact CG2-CD2 4.08Å; T301-F304 HydrophobicContact CG2-CE2 4.49Å; T301-F304 PolarHBondContact O-N 3.08Å
302L92.2Very high88Confident53 Ų5350.4 Ų50.428%0.27725%0.253SS..THydrogen-bonded Turntrans-55.7140.2175.7-173.767.6000110.9F304 V342 E343 D345 V348L302-F304 VanDerWaalsContact C-N 3.29Å; L302-F304 PolarHBondContact O-N 2.85Å; L302-V342 VanDerWaalsContact CD2-O 3.27Å; L302-V342 WeakPolarHBondContact CD2-O 3.37Å; L302-E343 WeakPolarHBondContact CD2-O 3.36Å; L302-D345 VanDerWaalsContact CD1-OD1 3.26Å; L302-D345 WeakPolarHBondContact CD1-OD1 3.44Å; L302-V348 HydrophobicContact CD1-CG2 3.77Å; L302-V348 HydrophobicContact CG-CG2 4.06Å
303G93.5Very high88.7Confident8 Ų840.1 Ų40.18%0.08222%0.216CC..THydrogen-bonded Turntrans87-18.7-176.300000115.1
304F96.4Very high89.3Confident27 Ų2743.5 Ų43.512%0.11823%0.227CC..THydrogen-bonded Turntrans-103.9-10.6173.7-65.6-89.2000113.2K143 T301 L302 A324 I327 I328 Y337K143-F304 HydrophobicContact CB-CD1 4.15Å; K143-F304 HydrophobicContact CB-CD2 4.08Å; K143-F304 HydrophobicContact CB-CE1 4.07Å; K143-F304 HydrophobicContact CB-CE2 3.98Å; K143-F304 HydrophobicContact CB-CG 4.16Å; K143-F304 HydrophobicContact CB-CZ 3.98Å; T301-F304 HydrophobicContact CG2-CD2 4.08Å; T301-F304 HydrophobicContact CG2-CE2 4.49Å; T301-F304 PolarHBondContact O-N 3.08Å; L302-F304 VanDerWaalsContact C-N 3.29Å; L302-F304 PolarHBondContact O-N 2.85Å; F304-A324 HydrophobicContact CB-CB 4.2Å; F304-A324 HydrophobicContact CD1-CB 4.39Å; F304-I327 HydrophobicContact CD1-CB 3.85Å; F304-I327 HydrophobicContact CD1-CG1 4.45Å; F304-I327 HydrophobicContact CD1-CG2 3.8Å; F304-I327 HydrophobicContact CE1-CB 4.1Å; F304-I327 HydrophobicContact CE1-CG2 3.74Å; F304-I327 HydrophobicContact CZ-CG2 4.42Å; F304-I328 HydrophobicContact CD1-CG1 4.49Å; F304-I328 HydrophobicContact CE1-CG1 3.9Å; F304-Y337 HydrophobicContact CZ-CE2 4.34Å
305R95.6Very high90Very high52 Ų5246.8 Ų46.820%0.19624%0.236CC..  trans-69.5137178.5-63.6179.7-168131.41.9110.8R298 G300 V309 M310 W323 D345R298-R305 PolarHBondContact O-NE 2.65Å; G300-R305 PolarHBondContact O-NE 3.18Å; G300-R305 PolarHBondContact O-NH2 3.21Å; R305-V309 HydrophobicContact CB-CB 4.37Å; R305-V309 HydrophobicContact CB-CG1 4.2Å; R305-V309 HydrophobicContact CG-CG1 4.24Å; R305-M310 HydrophobicContact CB-CG 4.1Å; R305-W323 PolarHBondContact O-NE1 2.94Å; R305-D345 WeakPolarHBondContact CD-OD1 3.21Å; R305-D345 IonicContact CZ-OD1 3.67Å; R305-D345 IonicContact NH1-OD1 2.72Å; R305-D345 PolarHBondContact NH1-OD1 3.31Å; R305-D345 IonicContact NH1-OD2 3.91Å; R305-D345 PolarHBondContact NH1-OD2 2.86Å
306P96.6Very high90.8Very high0 Ų040.6 Ų40.60%020%0.197CC..  trans-78.4166.7176.437.3-42.6000112.5E308 V309 M310 V320 W323P306-E308 VanDerWaalsContact C-N 3.29Å; P306-E308 WeakPolarHBondContact CB-OE1 3.31Å; P306-E308 WeakPolarHBondContact CB-OE2 3.33Å; P306-E308 HydrophobicContact CG-CG 4.15Å; P306-E308 VanDerWaalsContact CG-OE1 3.27Å; P306-E308 WeakPolarHBondContact CG-OE1 3.48Å; P306-E308 PolarHBondContact O-N 3.23Å; P306-V309 HydrophobicContact CG-CB 4.01Å; P306-V309 HydrophobicContact CG-CG2 3.55Å; P306-V309 PolarHBondContact O-N 3.04Å; P306-V309 VanDerWaalsContact O-N 3.09Å; P306-M310 PolarHBondContact O-N 3.37Å; P306-M310 VanDerWaalsContact O-N 3.17Å; P306-V320 HydrophobicContact CG-CB 4.19Å; P306-V320 HydrophobicContact CG-CG1 4.02Å; P306-V320 HydrophobicContact CG-CG2 3.98Å; P306-W323 VanDerWaalsContact CA-CD1 3.49Å; P306-W323 HydrophobicContact CB-CB 3.63Å; P306-W323 HydrophobicContact CB-CD2 3.92Å; P306-W323 HydrophobicContact CB-CE3 4.5Å; P306-W323 HydrophobicContact CB-CG 3.5Å; P306-W323 VanDerWaalsContact CB-CG 3.5Å
307P96.1Very high91.5Very high1 Ų141.7 Ų41.71%0.00620%0.204CC..Hα-helixtrans-56-39.4-178.3-23.834000113.5V309 M310 M311 W323 L349 M361P307-V309 VanDerWaalsContact C-N 3.31Å; P307-V309 PolarHBondContact O-N 3.39Å; P307-M310 PolarHBondContact O-N 3.4Å; P307-M311 HydrophobicContact CB-CE 3.64Å; P307-M311 VanDerWaalsContact O-CB 3.31Å; P307-M311 WeakPolarHBondContact O-CB 3.39Å; P307-M311 VanDerWaalsContact O-CG 3.27Å; P307-M311 WeakPolarHBondContact O-CG 3.48Å; P307-M311 PolarHBondContact O-N 3.39Å; P307-W323 HydrophobicContact CG-CE3 4.37Å; P307-W323 HydrophobicContact CG-CH2 3.53Å; P307-W323 HydrophobicContact CG-CZ2 3.93Å; P307-W323 HydrophobicContact CG-CZ3 3.78Å; P307-L349 HydrophobicContact CB-CD1 4.05Å; P307-M361 HydrophobicContact CB-SD 3.78Å; P307-M361 HydrophobicContact CG-CE 4.04Å; P307-M361 HydrophobicContact CG-SD 3.56Å; P307-M361 VanDerWaalsContact CG-SD 3.56Å
308E95.5Very high92.3Very high2 Ų237.8 Ų37.81%0.00919%0.192CC..Hα-helixtrans-65.3-31.1179.365.1-84.8-168.600113.6P306 R312 H313 I368 P464 R467P306-E308 VanDerWaalsContact C-N 3.29Å; P306-E308 WeakPolarHBondContact CB-OE1 3.31Å; P306-E308 WeakPolarHBondContact CB-OE2 3.33Å; P306-E308 HydrophobicContact CG-CG 4.15Å; P306-E308 VanDerWaalsContact CG-OE1 3.27Å; P306-E308 WeakPolarHBondContact CG-OE1 3.48Å; P306-E308 PolarHBondContact O-N 3.23Å; E308-R312 PolarHBondContact O-N 3.25Å; E308-H313 HydrophobicContact CB-CB 4.01Å; E308-H313 WeakPolarHBondContact O-CB 3.47Å; E308-H313 PolarHBondContact O-N 3.42Å; E308-I368 HydrophobicContact CB-CD1 3.92Å; E308-I368 HydrophobicContact CB-CG2 4.31Å; E308-P464 HydrophobicContact CB-CG 4.42Å; E308-P464 HydrophobicContact CG-CB 4.45Å; E308-P464 HydrophobicContact CG-CG 4.34Å; E308-R467 IonicContact OE1-CZ 3.09Å; E308-R467 IonicContact OE1-NH1 2.65Å; E308-R467 PolarHBondContact OE1-NH1 2.93Å; E308-R467 IonicContact OE1-NH2 3.49Å; E308-R467 PolarHBondContact OE1-NH2 3Å; E308-R467 IonicContact OE2-CZ 3.42Å; E308-R467 IonicContact OE2-NH1 3.75Å; E308-R467 IonicContact OE2-NH2 3.78Å; E308-R467 PolarHBondContact OE2-NH2 3.45Å
309V94.8Very high93Very high2 Ų235.5 Ų35.51%0.01219%0.185CC..Hα-helixtrans-74.1-46.9174.9173.80000110R305 P306 P307 M311 R312 Q316 V320R305-V309 HydrophobicContact CB-CB 4.37Å; R305-V309 HydrophobicContact CB-CG1 4.2Å; R305-V309 HydrophobicContact CG-CG1 4.24Å; P306-V309 HydrophobicContact CG-CB 4.01Å; P306-V309 HydrophobicContact CG-CG2 3.55Å; P306-V309 PolarHBondContact O-N 3.04Å; P306-V309 VanDerWaalsContact O-N 3.09Å; P307-V309 VanDerWaalsContact C-N 3.31Å; P307-V309 PolarHBondContact O-N 3.39Å; V309-M311 VanDerWaalsContact C-N 3.3Å; V309-M311 PolarHBondContact O-N 3.19Å; V309-R312 PolarHBondContact O-N 3.4Å; V309-Q316 HydrophobicContact CG2-CG 4.27Å; V309-V320 HydrophobicContact CG2-CG1 4.28Å; V309-V320 HydrophobicContact CG2-CG2 3.97Å
310M94Very high93.7Very high7 Ų734.4 Ų34.43%0.03417%0.172CC..Hα-helixtrans-60.5-41178.7-63.9-174.1-72.200111.3R305 P306 P307 R312 D345 V348 L349R305-M310 HydrophobicContact CB-CG 4.1Å; P306-M310 PolarHBondContact O-N 3.37Å; P306-M310 VanDerWaalsContact O-N 3.17Å; P307-M310 PolarHBondContact O-N 3.4Å; M310-R312 PolarHBondContact O-N 3.29Å; M310-D345 HydrophobicContact CB-CB 4.07Å; M310-D345 HydrophobicContact CG-CB 3.85Å; M310-D345 HydrophobicContact SD-CB 4.3Å; M310-V348 HydrophobicContact CE-CG1 4.06Å; M310-V348 HydrophobicContact SD-CB 3.69Å; M310-V348 HydrophobicContact SD-CG1 3.58Å; M310-V348 VanDerWaalsContact SD-CG1 3.58Å; M310-L349 HydrophobicContact CE-CB 3.94Å; M310-L349 HydrophobicContact CE-CD1 3.96Å; M310-L349 HydrophobicContact SD-CB 4.08Å
311M92.6Very high94.2Very high17 Ų1733.9 Ų33.98%0.08417%0.167CC..THydrogen-bonded Turntrans-80.111.2176.2-64-175.5-135.400114.6P307 V309 H313 L349 A365 I368 R370 L372P307-M311 HydrophobicContact CB-CE 3.64Å; P307-M311 VanDerWaalsContact O-CB 3.31Å; P307-M311 WeakPolarHBondContact O-CB 3.39Å; P307-M311 VanDerWaalsContact O-CG 3.27Å; P307-M311 WeakPolarHBondContact O-CG 3.48Å; P307-M311 PolarHBondContact O-N 3.39Å; V309-M311 VanDerWaalsContact C-N 3.3Å; V309-M311 PolarHBondContact O-N 3.19Å; M311-H313 PolarHBondContact O-N 3.15Å; M311-L349 HydrophobicContact CE-CD1 3.69Å; M311-L349 HydrophobicContact CE-CD2 4.04Å; M311-L349 HydrophobicContact CE-CG 4.5Å; M311-L349 HydrophobicContact CG-CD2 3.98Å; M311-A365 HydrophobicContact CE-CB 3.93Å; M311-A365 HydrophobicContact SD-CB 3.69Å; M311-I368 HydrophobicContact CB-CD1 4.08Å; M311-I368 HydrophobicContact SD-CD1 3.98Å; M311-R370 HydrophobicContact CB-CG 4.16Å; M311-R370 PolarHBondContact O-NE 2.97Å; M311-R370 PolarHBondContact O-NH2 3.29Å; M311-R370 HydrophobicContact SD-CB 3.91Å; M311-R370 HydrophobicContact SD-CG 4.4Å; M311-L372 HydrophobicContact CE-CD1 3.78Å; M311-L372 HydrophobicContact CE-CD2 3.8Å; M311-L372 HydrophobicContact CE-CG 4.07Å; M311-L372 HydrophobicContact CG-CD2 4.38Å; M311-L372 HydrophobicContact SD-CD2 3.79Å; M311-L372 HydrophobicContact SD-CG 4.28Å
312R90.7Very high94.5Very high118 Ų11831.8 Ų31.845%0.44515%0.154SC..THydrogen-bonded Turntrans60.240173.5-29.6-162.6146.6-132.4-2.5112.8R298 E308 V309 M310 R370R298-R312 VanDerWaalsContact NH1-NE 3.12Å; E308-R312 PolarHBondContact O-N 3.25Å; V309-R312 PolarHBondContact O-N 3.4Å; M310-R312 PolarHBondContact O-N 3.29Å; R312-R370 PolarHBondContact O-NH2 3.46Å
313H91.4Very high94.8Very high28 Ų2829.2 Ų29.213%0.1314%0.14CC..  trans-77.3135.4174.2-173.361.7000110.7V296 E308 M311 E315 Q316 I368V296-H313 WeakPolarHBondContact CG1-O 3.27Å; E308-H313 HydrophobicContact CB-CB 4.01Å; E308-H313 WeakPolarHBondContact O-CB 3.47Å; E308-H313 PolarHBondContact O-N 3.42Å; M311-H313 PolarHBondContact O-N 3.15Å; H313-E315 PolarHBondContact CD2-O 3.29Å; H313-E315 PolarHBondContact NE2-O 3.4Å; H313-Q316 PolarHBondContact O-NE2 3.15Å; H313-Q316 VanDerWaalsContact O-NE2 3.08Å; H313-I368 HydrophobicContact CB-CB 4.35Å; H313-I368 HydrophobicContact CB-CD1 4.14Å; H313-I368 PolarHBondContact ND1-O 2.91Å
314I88.3Confident95.1Very high112 Ų11229 Ų2957%0.57414%0.138SC*.SBendtrans-77.1-42.1-171.4-57170.6000110.8P294 V296 Q316P294-I314 HydrophobicContact CG-CD1 3.67Å; P294-I314 HydrophobicContact CG-CG1 4.26Å; V296-I314 HydrophobicContact CG2-CG1 3.82Å; I314-Q316 PolarHBondContact O-N 3.13Å
315E88.4Confident95.2Very high147 Ų14727.8 Ų27.869%0.68713%0.132SC*.  trans-89.182.4-175.7-60.6-179.3163.900110.8H313H313-E315 PolarHBondContact CD2-O 3.29Å; H313-E315 PolarHBondContact NE2-O 3.4Å
316Q93Very high95.3Very high12 Ų1225.3 Ų25.36%0.05612%0.123CC..  trans-91137.4177.4-65.5170.217.100110.3I138 R297 V309 H313 I314 V320I138-Q316 VanDerWaalsContact CD1-O 3.26Å; I138-Q316 WeakPolarHBondContact CD1-O 3.46Å; R297-Q316 PolarHBondContact O-NE2 3.46Å; R297-Q316 PolarHBondContact O-OE1 3.3Å; V309-Q316 HydrophobicContact CG2-CG 4.27Å; H313-Q316 PolarHBondContact O-NE2 3.15Å; H313-Q316 VanDerWaalsContact O-NE2 3.08Å; I314-Q316 PolarHBondContact O-N 3.13Å; Q316-V320 HydrophobicContact CB-CG2 4.09Å
317T95.6Very high95.4Very high40 Ų4025.5 Ų25.525%0.24512%0.124CC..  trans-117.2178.9-179.170.30000111.7I138 E167 A319 V320I138-T317 WeakPolarHBondContact CD1-O 3.44Å; E167-T317 WeakPolarHBondContact OE1-CB 3.31Å; E167-T317 WeakPolarHBondContact OE1-CG2 3.48Å; T317-A319 PolarHBondContact O-N 3.35Å; T317-A319 VanDerWaalsContact OG1-CB 3.29Å; T317-A319 WeakPolarHBondContact OG1-CB 3.3Å; T317-A319 PolarHBondContact OG1-N 3.4Å; T317-V320 WeakPolarHBondContact O-CB 3.25Å; T317-V320 VanDerWaalsContact O-CG2 3.29Å; T317-V320 WeakPolarHBondContact O-CG2 3.35Å; T317-V320 PolarHBondContact O-N 3.25Å
318T97.5Very high95.5Very high24 Ų2425.5 Ų25.515%0.14712%0.124CC..THydrogen-bonded Turntrans-58.8-14.6173.356.80000114.1H133 V137 I138 E167 V320 D321H133-T318 HydrophobicContact CB-CG2 4Å; H133-T318 PolarHBondContact CE1-O 3.01Å; V137-T318 WeakPolarHBondContact O-CG2 3.47Å; I138-T318 HydrophobicContact CG1-CG2 4.12Å; E167-T318 WeakPolarHBondContact OE2-CG2 3.32Å; T318-V320 PolarHBondContact O-N 3.18Å; T318-V320 VanDerWaalsContact O-N 3.11Å; T318-D321 PolarHBondContact O-N 2.95Å; T318-D321 VanDerWaalsContact O-N 3.09Å
319A98Very high95.6Very high8 Ų825.4 Ų25.47%0.06612%0.123CC..Hα-helixtrans-56.1-24.6171.300000112.7T317 D321 I322 W323 P464 R467T317-A319 PolarHBondContact O-N 3.35Å; T317-A319 VanDerWaalsContact OG1-CB 3.29Å; T317-A319 WeakPolarHBondContact OG1-CB 3.3Å; T317-A319 PolarHBondContact OG1-N 3.4Å; A319-D321 VanDerWaalsContact C-N 3.29Å; A319-D321 PolarHBondContact O-N 2.98Å; A319-I322 PolarHBondContact O-N 2.92Å; A319-W323 PolarHBondContact O-N 3.33Å; A319-W323 VanDerWaalsContact O-N 3.15Å; A319-P464 HydrophobicContact CB-CB 4.1Å; A319-R467 VanDerWaalsContact C-NH1 3.26Å; A319-R467 HydrophobicContact CB-CB 4.42Å; A319-R467 WeakPolarHBondContact O-CD 3.42Å; A319-R467 PolarHBondContact O-NH1 3.44Å
320V97.9Very high95.7Very high7 Ų725.3 Ų25.34%0.04212%0.123CC..Hα-helixtrans-55.1-45.6174.6170.60000111.5I138 P306 V309 Q316 T317 T318 I322 W323I138-V320 HydrophobicContact CG2-CB 3.97Å; I138-V320 HydrophobicContact CG2-CG1 4.34Å; P306-V320 HydrophobicContact CG-CB 4.19Å; P306-V320 HydrophobicContact CG-CG1 4.02Å; P306-V320 HydrophobicContact CG-CG2 3.98Å; V309-V320 HydrophobicContact CG2-CG1 4.28Å; V309-V320 HydrophobicContact CG2-CG2 3.97Å; Q316-V320 HydrophobicContact CB-CG2 4.09Å; T317-V320 WeakPolarHBondContact O-CB 3.25Å; T317-V320 VanDerWaalsContact O-CG2 3.29Å; T317-V320 WeakPolarHBondContact O-CG2 3.35Å; T317-V320 PolarHBondContact O-N 3.25Å; T318-V320 PolarHBondContact O-N 3.18Å; T318-V320 VanDerWaalsContact O-N 3.11Å; V320-I322 VanDerWaalsContact C-N 3.34Å; V320-I322 PolarHBondContact O-N 3.42Å; V320-W323 PolarHBondContact O-N 3.19Å
321D98.6Very high95.9Very high1 Ų125 Ų251%0.00512%0.121CC..Hα-helixtrans-69-35.5-179.5-63.1-29.3000111.4L129 H133 H139 R140 V142 T318 A319 W323 A324 V325L129-D321 HydrophobicContact CD1-CB 4.14Å; L129-D321 HydrophobicContact CD2-CB 4.02Å; H133-D321 IonicContact CD2-OD2 3.92Å; H133-D321 IonicContact CE1-OD2 2.79Å; H133-D321 IonicContact NE2-OD2 3.95Å; H133-D321 PolarHBondContact NE2-OD2 3.23Å; H139-D321 PolarHBondContact N-OD1 3.27Å; H139-D321 PolarHBondContact N-OD2 3.21Å; R140-D321 PolarHBondContact N-OD1 2.78Å; V142-D321 HydrophobicContact CG2-CB 3.87Å; T318-D321 PolarHBondContact O-N 2.95Å; T318-D321 VanDerWaalsContact O-N 3.09Å; A319-D321 VanDerWaalsContact C-N 3.29Å; A319-D321 PolarHBondContact O-N 2.98Å; D321-W323 VanDerWaalsContact C-N 3.34Å; D321-W323 PolarHBondContact O-N 3.4Å; D321-A324 WeakPolarHBondContact O-CB 3.33Å; D321-A324 PolarHBondContact O-N 2.92Å; D321-V325 WeakPolarHBondContact O-CG2 3.44Å; D321-V325 PolarHBondContact O-N 2.87Å
322I98.8Very high96Very high1 Ų124.3 Ų24.31%0.00512%0.118CC..Hα-helixtrans-64.9-38.5180-55.2-55.5000111.7A319 V320 A324 V325 G326 L459 R467 I468 A470A319-I322 PolarHBondContact O-N 2.92Å; V320-I322 VanDerWaalsContact C-N 3.34Å; V320-I322 PolarHBondContact O-N 3.42Å; I322-A324 VanDerWaalsContact C-N 3.3Å; I322-A324 PolarHBondContact O-N 3.25Å; I322-V325 WeakPolarHBondContact O-CB 3.46Å; I322-V325 PolarHBondContact O-N 2.87Å; I322-G326 PolarHBondContact O-N 3.14Å; I322-L459 HydrophobicContact CG2-CD2 3.44Å; I322-L459 VanDerWaalsContact CG2-CD2 3.44Å; I322-R467 HydrophobicContact CB-CG 4.34Å; I322-R467 HydrophobicContact CG2-CG 3.95Å; I322-I468 HydrophobicContact CG2-CG2 4.06Å; I322-I468 VanDerWaalsContact CG2-O 3.3Å; I322-I468 WeakPolarHBondContact CG2-O 3.29Å; I322-A470 HydrophobicContact CD1-CB 3.74Å
323W98.6Very high96.3Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-59.6-45.2174177.7-86.6000111.3R305 P306 P307 A319 V320 D321 V325 G326 I327 F352 I356 M361 L460R305-W323 PolarHBondContact O-NE1 2.94Å; P306-W323 VanDerWaalsContact CA-CD1 3.49Å; P306-W323 HydrophobicContact CB-CB 3.63Å; P306-W323 HydrophobicContact CB-CD2 3.92Å; P306-W323 HydrophobicContact CB-CE3 4.5Å; P306-W323 HydrophobicContact CB-CG 3.5Å; P306-W323 VanDerWaalsContact CB-CG 3.5Å; P307-W323 HydrophobicContact CG-CE3 4.37Å; P307-W323 HydrophobicContact CG-CH2 3.53Å; P307-W323 HydrophobicContact CG-CZ2 3.93Å; P307-W323 HydrophobicContact CG-CZ3 3.78Å; A319-W323 PolarHBondContact O-N 3.33Å; A319-W323 VanDerWaalsContact O-N 3.15Å; V320-W323 PolarHBondContact O-N 3.19Å; D321-W323 VanDerWaalsContact C-N 3.34Å; D321-W323 PolarHBondContact O-N 3.4Å; W323-V325 VanDerWaalsContact C-N 3.29Å; W323-V325 PolarHBondContact O-N 3.3Å; W323-G326 CarbonylContact O-C 3.49Å; W323-G326 WeakPolarHBondContact O-CA 3.43Å; W323-G326 PolarHBondContact O-N 3.43Å; W323-I327 WeakPolarHBondContact O-CG1 3.48Å; W323-I327 PolarHBondContact O-N 3.09Å; W323-F352 HydrophobicContact CH2-CD1 4.44Å; W323-F352 HydrophobicContact CH2-CG 4.46Å; W323-F352 HydrophobicContact CZ2-CB 4.31Å; W323-F352 AromaticContact CZ2-CD1 3.91Å; W323-F352 HydrophobicContact CZ2-CD1 3.91Å; W323-F352 HydrophobicContact CZ2-CD2 4.06Å; W323-F352 HydrophobicContact CZ2-CE1 4.3Å; W323-F352 HydrophobicContact CZ2-CE2 4.4Å; W323-F352 AromaticContact CZ2-CG 3.82Å; W323-F352 HydrophobicContact CZ2-CG 3.82Å; W323-I356 HydrophobicContact CH2-CD1 3.41Å; W323-I356 VanDerWaalsContact CH2-CD1 3.41Å; W323-I356 HydrophobicContact CZ2-CD1 4.21Å; W323-I356 HydrophobicContact CZ3-CD1 4.07Å; W323-M361 HydrophobicContact CH2-CE 4.22Å; W323-L460 HydrophobicContact CD2-CD2 4.17Å; W323-L460 HydrophobicContact CE3-CD2 4.28Å; W323-L460 HydrophobicContact CZ3-CB 4.35Å
324A98.5Very high96.4Very high4 Ų417.3 Ų17.33%0.0339%0.091CC..Hα-helixtrans-61.7-36.4177.400000112.3V142 F304 D321 I322 G326 I327 I328V142-A324 HydrophobicContact CB-CB 3.83Å; V142-A324 HydrophobicContact CG1-CB 4.12Å; V142-A324 WeakPolarHBondContact O-CB 3.42Å; F304-A324 HydrophobicContact CB-CB 4.2Å; F304-A324 HydrophobicContact CD1-CB 4.39Å; D321-A324 WeakPolarHBondContact O-CB 3.33Å; D321-A324 PolarHBondContact O-N 2.92Å; I322-A324 VanDerWaalsContact C-N 3.3Å; I322-A324 PolarHBondContact O-N 3.25Å; A324-G326 VanDerWaalsContact C-N 3.29Å; A324-G326 PolarHBondContact O-N 2.94Å; A324-I327 WeakPolarHBondContact O-CB 3.47Å; A324-I327 PolarHBondContact O-N 2.85Å; A324-I327 VanDerWaalsContact O-N 3.13Å; A324-I328 WeakPolarHBondContact O-CG1 3.38Å; A324-I328 PolarHBondContact O-N 3.44Å
325V98.8Very high96.7Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-58.5-41.7169.4177.50000111.2M122 L125 L126 L129 V142 D321 I322 W323 I327 I328 F329 L459M122-V325 HydrophobicContact CE-CG1 3.39Å; L125-V325 HydrophobicContact CD2-CB 4.45Å; L125-V325 HydrophobicContact CD2-CG1 4.22Å; L125-V325 HydrophobicContact CD2-CG2 3.91Å; L125-V325 HydrophobicContact CG-CG2 4.08Å; L126-V325 HydrophobicContact CD2-CG1 3.99Å; L126-V325 HydrophobicContact CG-CG1 4.37Å; L129-V325 HydrophobicContact CD1-CG2 3.31Å; V142-V325 HydrophobicContact CG1-CG2 4.33Å; D321-V325 WeakPolarHBondContact O-CG2 3.44Å; D321-V325 PolarHBondContact O-N 2.87Å; I322-V325 WeakPolarHBondContact O-CB 3.46Å; I322-V325 PolarHBondContact O-N 2.87Å; W323-V325 VanDerWaalsContact C-N 3.29Å; W323-V325 PolarHBondContact O-N 3.3Å; V325-I327 VanDerWaalsContact C-N 3.33Å; V325-I327 PolarHBondContact O-N 3.34Å; V325-I328 PolarHBondContact O-N 2.9Å; V325-F329 WeakPolarHBondContact O-CB 3.47Å; V325-F329 PolarHBondContact O-N 2.9Å; V325-L459 HydrophobicContact CB-CD2 4.35Å; V325-L459 HydrophobicContact CG1-CD1 4.12Å; V325-L459 HydrophobicContact CG1-CD2 4.08Å
326G98.6Very high96.9Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-60.6-38.8173.500000113.4I322 W323 A324 F329 I330 L456I322-G326 PolarHBondContact O-N 3.14Å; W323-G326 CarbonylContact O-C 3.49Å; W323-G326 WeakPolarHBondContact O-CA 3.43Å; W323-G326 PolarHBondContact O-N 3.43Å; A324-G326 VanDerWaalsContact C-N 3.29Å; A324-G326 PolarHBondContact O-N 2.94Å; G326-F329 PolarHBondContact O-N 3.29Å; G326-I330 PolarHBondContact O-N 3.02Å; G326-L456 WeakPolarHBondContact O-CD1 3.14Å
327I98Very high96.9Very high5 Ų510.2 Ų10.23%0.0265%0.05CC..Hα-helixtrans-65.1-41.2175.2-52.8-39.4000111.4F304 W323 A324 V325 F329 I330 S331 F352 L460F304-I327 HydrophobicContact CD1-CB 3.85Å; F304-I327 HydrophobicContact CD1-CG1 4.45Å; F304-I327 HydrophobicContact CD1-CG2 3.8Å; F304-I327 HydrophobicContact CE1-CB 4.1Å; F304-I327 HydrophobicContact CE1-CG2 3.74Å; F304-I327 HydrophobicContact CZ-CG2 4.42Å; W323-I327 WeakPolarHBondContact O-CG1 3.48Å; W323-I327 PolarHBondContact O-N 3.09Å; A324-I327 WeakPolarHBondContact O-CB 3.47Å; A324-I327 PolarHBondContact O-N 2.85Å; A324-I327 VanDerWaalsContact O-N 3.13Å; V325-I327 VanDerWaalsContact C-N 3.33Å; V325-I327 PolarHBondContact O-N 3.34Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-I330 VanDerWaalsContact O-CG2 3.23Å; I327-I330 WeakPolarHBondContact O-CG2 3.08Å; I327-S331 PolarHBondContact O-N 3.13Å; I327-F352 HydrophobicContact CD1-CE1 3.47Å; I327-F352 VanDerWaalsContact CD1-CE1 3.47Å; I327-F352 HydrophobicContact CD1-CE2 3.94Å; I327-F352 HydrophobicContact CD1-CZ 3.1Å; I327-F352 HydrophobicContact CG1-CZ 4.16Å; I327-L460 HydrophobicContact CD1-CD2 3.67Å
328I98.2Very high96.7Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-64.8-42.1175.3-61.8168.2000110.2F106 Y121 L125 V142 P144 F304 A324 V325 S331 F332F106-I328 HydrophobicContact CE2-CG2 4.49Å; F106-I328 HydrophobicContact CZ-CG2 4.34Å; Y121-I328 HydrophobicContact CE1-CG2 3.57Å; L125-I328 HydrophobicContact CD2-CD1 3.74Å; V142-I328 HydrophobicContact CG1-CD1 4.01Å; P144-I328 HydrophobicContact CG-CD1 4.38Å; P144-I328 HydrophobicContact CG-CG1 3.97Å; P144-I328 HydrophobicContact CG-CG2 4.36Å; F304-I328 HydrophobicContact CD1-CG1 4.49Å; F304-I328 HydrophobicContact CE1-CG1 3.9Å; A324-I328 WeakPolarHBondContact O-CG1 3.38Å; A324-I328 PolarHBondContact O-N 3.44Å; V325-I328 PolarHBondContact O-N 2.9Å; I328-S331 WeakPolarHBondContact O-CB 3.4Å; I328-S331 PolarHBondContact O-N 2.95Å; I328-F332 HydrophobicContact CG2-CD2 4.38Å; I328-F332 HydrophobicContact CG2-CE2 3.99Å; I328-F332 WeakPolarHBondContact O-CD2 3.31Å; I328-F332 PolarHBondContact O-N 3.02Å
329F98.4Very high96.5Very high0 Ų010.9 Ų10.90%05%0.054CC..Hα-helixtrans-66.9-43.4-177.6-164.9-151.5000112.6I118 M122 V325 G326 I327 S331 F332 L333 A452 L455 L456 L459 Y478I118-F329 HydrophobicContact CG2-CD2 4.32Å; I118-F329 HydrophobicContact CG2-CE2 3.94Å; M122-F329 HydrophobicContact CE-CB 3.56Å; M122-F329 HydrophobicContact CE-CD1 4.27Å; M122-F329 HydrophobicContact CE-CD2 3.99Å; M122-F329 HydrophobicContact CE-CG 3.69Å; M122-F329 HydrophobicContact CG-CD2 3.82Å; M122-F329 HydrophobicContact CG-CE2 4.1Å; M122-F329 HydrophobicContact CG-CG 4.48Å; M122-F329 HydrophobicContact SD-CB 3.92Å; M122-F329 HydrophobicContact SD-CD2 3.78Å; M122-F329 HydrophobicContact SD-CG 4.04Å; V325-F329 WeakPolarHBondContact O-CB 3.47Å; V325-F329 PolarHBondContact O-N 2.9Å; G326-F329 PolarHBondContact O-N 3.29Å; I327-F329 VanDerWaalsContact C-N 3.32Å; F329-S331 PolarHBondContact O-N 3.43Å; F329-F332 WeakPolarHBondContact O-CB 3.2Å; F329-F332 PolarHBondContact O-N 3.05Å; F329-F332 VanDerWaalsContact O-N 3.07Å; F329-L333 HydrophobicContact CD1-CD1 4.09Å; F329-L333 HydrophobicContact CD2-CD1 4.39Å; F329-L333 HydrophobicContact CD2-CG 4.22Å; F329-L333 HydrophobicContact CE1-CD1 3.98Å; F329-L333 HydrophobicContact CE2-CD1 4.27Å; F329-L333 HydrophobicContact CE2-CD2 3.95Å; F329-L333 HydrophobicContact CE2-CG 4.1Å; F329-L333 HydrophobicContact CG-CD1 4.3Å; F329-L333 HydrophobicContact CZ-CD1 4.06Å; F329-L333 HydrophobicContact CZ-CD2 4.1Å; F329-L333 HydrophobicContact CZ-CG 4.33Å; F329-L333 WeakPolarHBondContact O-CG 3.14Å; F329-L333 PolarHBondContact O-N 3.46Å; F329-A452 VanDerWaalsContact CE1-O 3.29Å; F329-A452 WeakPolarHBondContact CE1-O 3.48Å; F329-A452 HydrophobicContact CZ-CB 4.04Å; F329-L455 HydrophobicContact CD1-CD2 4.49Å; F329-L455 HydrophobicContact CE1-CB 4.13Å; F329-L455 HydrophobicContact CE1-CD2 3.9Å; F329-L455 HydrophobicContact CE1-CG 4.08Å; F329-L455 HydrophobicContact CZ-CD2 4.39Å; F329-L456 HydrophobicContact CB-CD1 4.29Å; F329-L456 HydrophobicContact CD1-CB 4.12Å; F329-L456 HydrophobicContact CD1-CD1 4.12Å; F329-L456 HydrophobicContact CE1-CB 4.35Å; F329-L459 HydrophobicContact CB-CD1 4.42Å; F329-L459 HydrophobicContact CD1-CD1 3.98Å; F329-Y478 AromaticContact CE2-CE1 3.88Å; F329-Y478 HydrophobicContact CE2-CE1 3.88Å; F329-Y478 AromaticContact CE2-CZ 3.94Å; F329-Y478 HydrophobicContact CZ-CD1 4.06Å; F329-Y478 AromaticContact CZ-CE1 3.51Å; F329-Y478 HydrophobicContact CZ-CE1 3.51Å; F329-Y478 HydrophobicContact CZ-CE2 4.28Å; F329-Y478 AromaticContact CZ-CZ 3.64Å
330I96.8Very high96Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-63.4-29.2176.9-163.4168.6000112G326 I327 F332 L333 S334 F339 L355 L456 L460G326-I330 PolarHBondContact O-N 3.02Å; I327-I330 VanDerWaalsContact O-CG2 3.23Å; I327-I330 WeakPolarHBondContact O-CG2 3.08Å; I330-F332 VanDerWaalsContact C-N 3.34Å; I330-F332 PolarHBondContact O-N 3.35Å; I330-L333 PolarHBondContact O-N 2.9Å; I330-S334 VanDerWaalsContact O-CB 3.26Å; I330-S334 WeakPolarHBondContact O-CB 3.33Å; I330-S334 PolarHBondContact O-N 3.36Å; I330-S334 PolarHBondContact O-OG 3.33Å; I330-F339 HydrophobicContact CD1-CD2 4.49Å; I330-F339 HydrophobicContact CD1-CE1 3.92Å; I330-F339 HydrophobicContact CD1-CE2 3.76Å; I330-F339 HydrophobicContact CD1-CZ 3.43Å; I330-F339 VanDerWaalsContact CD1-CZ 3.43Å; I330-F339 HydrophobicContact CG1-CD2 4.17Å; I330-F339 HydrophobicContact CG1-CE2 3.74Å; I330-F339 HydrophobicContact CG1-CZ 3.97Å; I330-F339 HydrophobicContact CG2-CB 4.34Å; I330-F339 HydrophobicContact CG2-CD1 3.93Å; I330-F339 HydrophobicContact CG2-CD2 3.94Å; I330-F339 HydrophobicContact CG2-CE1 4.27Å; I330-F339 HydrophobicContact CG2-CE2 4.26Å; I330-F339 HydrophobicContact CG2-CG 3.78Å; I330-F339 HydrophobicContact CG2-CZ 4.42Å; I330-L355 HydrophobicContact CD1-CD1 4.42Å; I330-L355 HydrophobicContact CD1-CD2 3.66Å; I330-L456 HydrophobicContact CB-CD1 3.9Å; I330-L456 HydrophobicContact CB-CD2 4.3Å; I330-L456 HydrophobicContact CD1-CD2 4.18Å; I330-L456 HydrophobicContact CG1-CD2 4.14Å; I330-L460 HydrophobicContact CD1-CD1 4.46Å
331S96.4Very high95.5Very high0 Ų020.1 Ų20.10%09%0.093CC..Hα-helixtrans-61.5-39.2172.2-82.90000112.9I327 I328 F329 G335 R336I327-S331 PolarHBondContact O-N 3.13Å; I328-S331 WeakPolarHBondContact O-CB 3.4Å; I328-S331 PolarHBondContact O-N 2.95Å; F329-S331 PolarHBondContact O-N 3.43Å; S331-G335 CarbonylContact O-C 3.57Å; S331-G335 WeakPolarHBondContact O-CA 3.26Å; S331-G335 PolarHBondContact O-N 3.2Å; S331-R336 VanDerWaalsContact CA-O 3.3Å; S331-R336 WeakPolarHBondContact CA-O 3.27Å; S331-R336 VanDerWaalsContact CB-O 3.27Å; S331-R336 WeakPolarHBondContact CB-O 3.31Å; S331-R336 PolarHBondContact O-N 3.27Å; S331-R336 PolarHBondContact OG-O 3.38Å
332F96.4Very high95Very high3 Ų322.3 Ų22.31%0.01311%0.106CC..Hα-helixtrans-67.5-48.6172.7-74.1-70.2000112F106 Y110 A113 I118 Y121 I328 F329 I330 S334 G335 R399F106-F332 HydrophobicContact CE2-CE1 4.06Å; F106-F332 AromaticContact CE2-CE2 3.82Å; F106-F332 HydrophobicContact CE2-CE2 3.82Å; F106-F332 AromaticContact CE2-CZ 3.44Å; F106-F332 HydrophobicContact CE2-CZ 3.44Å; F106-F332 VanDerWaalsContact CE2-CZ 3.44Å; F106-F332 HydrophobicContact CZ-CD2 4.49Å; F106-F332 HydrophobicContact CZ-CE1 4.26Å; F106-F332 AromaticContact CZ-CE2 3.98Å; F106-F332 HydrophobicContact CZ-CE2 3.98Å; F106-F332 AromaticContact CZ-CZ 3.88Å; F106-F332 HydrophobicContact CZ-CZ 3.88Å; Y110-F332 WeakPolarHBondContact O-CD1 3.22Å; A113-F332 HydrophobicContact CB-CE1 4.13Å; I118-F332 HydrophobicContact CD1-CB 4.09Å; I118-F332 HydrophobicContact CD1-CD1 4.05Å; I118-F332 HydrophobicContact CD1-CG 4.35Å; I118-F332 HydrophobicContact CG1-CB 4.26Å; I118-F332 HydrophobicContact CG1-CD1 3.63Å; I118-F332 HydrophobicContact CG1-CE1 4.01Å; I118-F332 HydrophobicContact CG1-CG 4.01Å; I118-F332 HydrophobicContact CG2-CB 4.06Å; I118-F332 HydrophobicContact CG2-CD1 4.47Å; I118-F332 HydrophobicContact CG2-CD2 4.2Å; I118-F332 HydrophobicContact CG2-CG 4.03Å; Y121-F332 AromaticContact CD1-CE2 3.68Å; Y121-F332 HydrophobicContact CD1-CE2 3.68Å; Y121-F332 HydrophobicContact CD1-CZ 4.07Å; Y121-F332 HydrophobicContact CD2-CZ 4.12Å; Y121-F332 AromaticContact CE1-CE2 3.91Å; Y121-F332 HydrophobicContact CE1-CE2 3.91Å; Y121-F332 HydrophobicContact CE1-CZ 4.4Å; Y121-F332 HydrophobicContact CE2-CZ 4.42Å; Y121-F332 HydrophobicContact CG-CE2 4.04Å; Y121-F332 AromaticContact CG-CZ 3.94Å; Y121-F332 HydrophobicContact CG-CZ 3.94Å; I328-F332 HydrophobicContact CG2-CD2 4.38Å; I328-F332 HydrophobicContact CG2-CE2 3.99Å; I328-F332 WeakPolarHBondContact O-CD2 3.31Å; I328-F332 PolarHBondContact O-N 3.02Å; F329-F332 WeakPolarHBondContact O-CB 3.2Å; F329-F332 PolarHBondContact O-N 3.05Å; F329-F332 VanDerWaalsContact O-N 3.07Å; I330-F332 VanDerWaalsContact C-N 3.34Å; I330-F332 PolarHBondContact O-N 3.35Å; F332-S334 PolarHBondContact O-N 3.16Å; F332-G335 PolarHBondContact O-N 2.91Å; F332-R399 PolarHBondContact O-NH1 3.3Å
333L96.2Very high94.5Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-64-43.5-175-61.8177000111.9F329 I330 R399 F448 A452 Y453 L456F329-L333 HydrophobicContact CD1-CD1 4.09Å; F329-L333 HydrophobicContact CD2-CD1 4.39Å; F329-L333 HydrophobicContact CD2-CG 4.22Å; F329-L333 HydrophobicContact CE1-CD1 3.98Å; F329-L333 HydrophobicContact CE2-CD1 4.27Å; F329-L333 HydrophobicContact CE2-CD2 3.95Å; F329-L333 HydrophobicContact CE2-CG 4.1Å; F329-L333 HydrophobicContact CG-CD1 4.3Å; F329-L333 HydrophobicContact CZ-CD1 4.06Å; F329-L333 HydrophobicContact CZ-CD2 4.1Å; F329-L333 HydrophobicContact CZ-CG 4.33Å; F329-L333 WeakPolarHBondContact O-CG 3.14Å; F329-L333 PolarHBondContact O-N 3.46Å; I330-L333 PolarHBondContact O-N 2.9Å; L333-R399 PolarHBondContact O-NH1 3.08Å; L333-R399 VanDerWaalsContact O-NH1 3.11Å; L333-F448 HydrophobicContact CB-CD2 4.43Å; L333-F448 HydrophobicContact CB-CE2 4.36Å; L333-F448 HydrophobicContact CD2-CB 4.01Å; L333-F448 HydrophobicContact CD2-CD1 3.48Å; L333-F448 VanDerWaalsContact CD2-CD1 3.48Å; L333-F448 HydrophobicContact CD2-CD2 3.58Å; L333-F448 HydrophobicContact CD2-CE1 3.71Å; L333-F448 HydrophobicContact CD2-CE2 3.82Å; L333-F448 HydrophobicContact CD2-CG 3.39Å; L333-F448 HydrophobicContact CD2-CZ 3.87Å; L333-F448 WeakPolarHBondContact O-CE2 3.44Å; L333-A452 HydrophobicContact CD2-CB 4.12Å; L333-Y453 HydrophobicContact CD1-CD1 4.33Å; L333-Y453 HydrophobicContact CD1-CE1 4.35Å; L333-L456 HydrophobicContact CD1-CB 4.25Å; L333-L456 HydrophobicContact CD1-CD2 3.92Å; L333-L456 HydrophobicContact CD1-CG 4.47Å
334S94.2Very high94Very high0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-83.2-16.6179.266.20000114.1I330 F332 R336 F339 R399I330-S334 VanDerWaalsContact O-CB 3.26Å; I330-S334 WeakPolarHBondContact O-CB 3.33Å; I330-S334 PolarHBondContact O-N 3.36Å; I330-S334 PolarHBondContact O-OG 3.33Å; F332-S334 PolarHBondContact O-N 3.16Å; S334-R336 PolarHBondContact O-N 2.64Å; S334-R336 PolarHBondContact OG-N 3.42Å; S334-F339 WeakPolarHBondContact OG-CD2 3.46Å; S334-R399 VanDerWaalsContact O-CA 3.23Å; S334-R399 WeakPolarHBondContact O-CA 3.48Å
335G93.7Very high93.6Very high0 Ų035.2 Ų35.20%017%0.169CC..  trans70.115.5-171.900000114.3Y110 S331 F332Y110-G335 WeakPolarHBondContact CE2-O 3.29Å; S331-G335 CarbonylContact O-C 3.57Å; S331-G335 WeakPolarHBondContact O-CA 3.26Å; S331-G335 PolarHBondContact O-N 3.2Å; F332-G335 PolarHBondContact O-N 2.91Å
336R92.9Very high93.2Very high83 Ų8340.9 Ų40.931%0.31320%0.199SC..  trans-114119.8-175.7-173.5-178.4178.791.3-6112.1S331 S334 F339 I398 E402S331-R336 VanDerWaalsContact CA-O 3.3Å; S331-R336 WeakPolarHBondContact CA-O 3.27Å; S331-R336 VanDerWaalsContact CB-O 3.27Å; S331-R336 WeakPolarHBondContact CB-O 3.31Å; S331-R336 PolarHBondContact O-N 3.27Å; S331-R336 PolarHBondContact OG-O 3.38Å; S334-R336 PolarHBondContact O-N 2.64Å; S334-R336 PolarHBondContact OG-N 3.42Å; R336-F339 HydrophobicContact CB-CD2 4.29Å; R336-F339 WeakPolarHBondContact CD-O 3.35Å; R336-F339 PolarHBondContact NE-O 3.38Å; R336-I398 HydrophobicContact CB-CG2 4.45Å; R336-E402 WeakPolarHBondContact CG-OE2 3.42Å; R336-E402 IonicContact CZ-OE2 4Å; R336-E402 IonicContact NH1-OE2 3Å; R336-E402 PolarHBondContact NH1-OE2 2.91Å
337Y92.2Very high92.9Very high39 Ų3943.1 Ų43.115%0.15321%0.211CC..SBendtrans-141.1134.4173.7-177.6-99.2000111.9F106 T107 P144 F304 K404F106-Y337 AromaticContact CD1-CD1 3.89Å; F106-Y337 HydrophobicContact CD1-CD1 3.89Å; F106-Y337 AromaticContact CD1-CD2 3.8Å; F106-Y337 HydrophobicContact CD1-CD2 3.8Å; F106-Y337 AromaticContact CD1-CE1 3.87Å; F106-Y337 HydrophobicContact CD1-CE1 3.87Å; F106-Y337 AromaticContact CD1-CE2 3.78Å; F106-Y337 HydrophobicContact CD1-CE2 3.78Å; F106-Y337 AromaticContact CD1-CG 3.84Å; F106-Y337 HydrophobicContact CD1-CG 3.84Å; F106-Y337 AromaticContact CD1-CZ 3.8Å; F106-Y337 HydrophobicContact CE1-CD1 4.26Å; F106-Y337 AromaticContact CE1-CD2 3.5Å; F106-Y337 HydrophobicContact CE1-CD2 3.5Å; F106-Y337 VanDerWaalsContact CE1-CD2 3.5Å; F106-Y337 AromaticContact CE1-CE2 3.83Å; F106-Y337 HydrophobicContact CE1-CE2 3.83Å; F106-Y337 AromaticContact CE1-CG 3.72Å; F106-Y337 HydrophobicContact CE1-CG 3.72Å; T107-Y337 HydrophobicContact CG2-CD1 3.92Å; T107-Y337 HydrophobicContact CG2-CE1 3.83Å; P144-Y337 HydrophobicContact CB-CE2 4.48Å; P144-Y337 HydrophobicContact CG-CE2 3.72Å; F304-Y337 HydrophobicContact CZ-CE2 4.34Å; Y337-K404 PolarHBondContact O-NZ 3.03Å; Y337-K404 VanDerWaalsContact O-NZ 3.12Å
338P91.9Very high92.7Very high66 Ų6642.9 Ų42.943%0.42921%0.209SC..SBendcis-59.1144.2-14.328.1-35.1000110.5K341P338-K341 HydrophobicContact CG-CB 4.49Å
339F92.8Very high92.4Very high11 Ų1143.3 Ų43.35%0.04821%0.212CC..SBendtrans-65-48.5-174.1-179.3-103.2000111.7I330 S334 R336 F352 L355 I398I330-F339 HydrophobicContact CD1-CD2 4.49Å; I330-F339 HydrophobicContact CD1-CE1 3.92Å; I330-F339 HydrophobicContact CD1-CE2 3.76Å; I330-F339 HydrophobicContact CD1-CZ 3.43Å; I330-F339 VanDerWaalsContact CD1-CZ 3.43Å; I330-F339 HydrophobicContact CG1-CD2 4.17Å; I330-F339 HydrophobicContact CG1-CE2 3.74Å; I330-F339 HydrophobicContact CG1-CZ 3.97Å; I330-F339 HydrophobicContact CG2-CB 4.34Å; I330-F339 HydrophobicContact CG2-CD1 3.93Å; I330-F339 HydrophobicContact CG2-CD2 3.94Å; I330-F339 HydrophobicContact CG2-CE1 4.27Å; I330-F339 HydrophobicContact CG2-CE2 4.26Å; I330-F339 HydrophobicContact CG2-CG 3.78Å; I330-F339 HydrophobicContact CG2-CZ 4.42Å; S334-F339 WeakPolarHBondContact OG-CD2 3.46Å; R336-F339 HydrophobicContact CB-CD2 4.29Å; R336-F339 WeakPolarHBondContact CD-O 3.35Å; R336-F339 PolarHBondContact NE-O 3.38Å; F339-F352 HydrophobicContact CD1-CZ 4.44Å; F339-F352 HydrophobicContact CE1-CE1 4.43Å; F339-L355 HydrophobicContact CE1-CD2 3.59Å; F339-L355 HydrophobicContact CZ-CD1 4.31Å; F339-L355 HydrophobicContact CZ-CD2 3.77Å; F339-I398 HydrophobicContact CE2-CD1 4.03Å; F339-I398 HydrophobicContact CZ-CD1 4.01Å
340I89Confident92.1Very high24 Ų2443.8 Ų43.812%0.12321%0.214CC..  trans-115.3135.9172.5-74.2162.6000108.8V342 V348 A351 F352I340-V342 HydrophobicContact CG2-CB 4.32Å; I340-V342 HydrophobicContact CG2-CG1 3.75Å; I340-V342 HydrophobicContact CG2-CG2 3.74Å; I340-V348 HydrophobicContact CG2-CG2 4.46Å; I340-A351 HydrophobicContact CD1-CB 3.75Å; I340-A351 HydrophobicContact CG1-CB 4.22Å; I340-A351 HydrophobicContact CG2-CB 4.42Å; I340-F352 HydrophobicContact CD1-CD1 4.34Å; I340-F352 HydrophobicContact CD1-CD2 3.71Å; I340-F352 HydrophobicContact CD1-CE1 3.99Å; I340-F352 HydrophobicContact CD1-CE2 3.33Å; I340-F352 HydrophobicContact CD1-CG 4.18Å; I340-F352 HydrophobicContact CD1-CZ 3.43Å; I340-F352 VanDerWaalsContact CD1-CZ 3.43Å
341K86.5Confident91.9Very high185 Ų18544.1 Ų44.180%0.80422%0.216SC*.  trans-128.698.6175.6-173.2179.6-179-177.30108P338P338-K341 HydrophobicContact CG-CB 4.49Å
342V87.4Confident91.8Very high47 Ų4744.1 Ų44.129%0.28522%0.217SC..  trans-141.6169.9-178.3-61.80000109.2L302 I340 D347 V348L302-V342 VanDerWaalsContact CD2-O 3.27Å; L302-V342 WeakPolarHBondContact CD2-O 3.37Å; I340-V342 HydrophobicContact CG2-CB 4.32Å; I340-V342 HydrophobicContact CG2-CG1 3.75Å; I340-V342 HydrophobicContact CG2-CG2 3.74Å; V342-D347 HydrophobicContact CB-CB 3.54Å; V342-D347 HydrophobicContact CG1-CB 3.89Å; V342-D347 HydrophobicContact CG2-CB 3.77Å; V342-V348 HydrophobicContact CG2-CB 4.14Å; V342-V348 HydrophobicContact CG2-CG2 3.19Å
343E88Confident91.7Very high180 Ų18044 Ų4484%0.84122%0.216SC*.SBendtrans-95.7-26.2-167.9-61.1-175.8178.700113.3L302L302-E343 WeakPolarHBondContact CD2-O 3.36Å
344D89.7Confident91.4Very high74 Ų7444.4 Ų44.440%0.39622%0.218SC..SBendtrans-141172-179.174.145.1000115.2L346 D347 V348D344-L346 VanDerWaalsContact C-N 3.31Å; D344-L346 PolarHBondContact O-N 3.4Å; D344-L346 WeakPolarHBondContact OD1-CA 3.42Å; D344-L346 WeakPolarHBondContact OD1-CB 3.43Å; D344-L346 PolarHBondContact OD1-N 3.38Å; D344-D347 PolarHBondContact O-N 3.15Å; D344-D347 PolarHBondContact OD1-N 3.25Å; D344-V348 WeakPolarHBondContact O-CG2 3.3Å; D344-V348 PolarHBondContact O-N 3.25Å
345D90.2Very high91.4Very high23 Ų2344.7 Ų44.712%0.12322%0.219CC..Hα-helixtrans-64.3-31.1-177.9-78.8-23.7000113.1L302 R305 M310 V348 L349L302-D345 VanDerWaalsContact CD1-OD1 3.26Å; L302-D345 WeakPolarHBondContact CD1-OD1 3.44Å; R305-D345 WeakPolarHBondContact CD-OD1 3.21Å; R305-D345 IonicContact CZ-OD1 3.67Å; R305-D345 IonicContact NH1-OD1 2.72Å; R305-D345 PolarHBondContact NH1-OD1 3.31Å; R305-D345 IonicContact NH1-OD2 3.91Å; R305-D345 PolarHBondContact NH1-OD2 2.86Å; M310-D345 HydrophobicContact CB-CB 4.07Å; M310-D345 HydrophobicContact CG-CB 3.85Å; M310-D345 HydrophobicContact SD-CB 4.3Å; D345-V348 PolarHBondContact O-N 2.84Å; D345-L349 VanDerWaalsContact O-CB 3.32Å; D345-L349 WeakPolarHBondContact O-CB 3.37Å; D345-L349 PolarHBondContact O-N 2.71Å
346L90.1Very high91.3Very high119 Ų11944.7 Ų44.762%0.62322%0.219SC*.Hα-helixtrans-73.7-38.3-178.8-66.4178.4000110.7D344 L349 H350D344-L346 VanDerWaalsContact C-N 3.31Å; D344-L346 PolarHBondContact O-N 3.4Å; D344-L346 WeakPolarHBondContact OD1-CA 3.42Å; D344-L346 WeakPolarHBondContact OD1-CB 3.43Å; D344-L346 PolarHBondContact OD1-N 3.38Å; L346-L349 PolarHBondContact O-N 3Å; L346-H350 WeakPolarHBondContact O-CB 3.48Å; L346-H350 PolarHBondContact O-N 3.42Å
347D91.8Very high91.2Very high46 Ų4640.7 Ų40.725%0.24620%0.204CC..Hα-helixtrans-63.7-41.2172.4-75.6-20.9000112V342 D344 L349 H350 A351 P523V342-D347 HydrophobicContact CB-CB 3.54Å; V342-D347 HydrophobicContact CG1-CB 3.89Å; V342-D347 HydrophobicContact CG2-CB 3.77Å; D344-D347 PolarHBondContact O-N 3.15Å; D344-D347 PolarHBondContact OD1-N 3.25Å; D347-L349 VanDerWaalsContact C-N 3.33Å; D347-H350 PolarHBondContact O-N 3.17Å; D347-A351 WeakPolarHBondContact O-CB 3.25Å; D347-A351 PolarHBondContact O-N 3.33Å; D347-P523 WeakPolarHBondContact OD1-CG 3.46Å
348V92.9Very high91.2Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-60.2-48.3174.6175.50000109.5L302 M310 I340 V342 D344 D345 H350 A351 F352L302-V348 HydrophobicContact CD1-CG2 3.77Å; L302-V348 HydrophobicContact CG-CG2 4.06Å; M310-V348 HydrophobicContact CE-CG1 4.06Å; M310-V348 HydrophobicContact SD-CB 3.69Å; M310-V348 HydrophobicContact SD-CG1 3.58Å; M310-V348 VanDerWaalsContact SD-CG1 3.58Å; I340-V348 HydrophobicContact CG2-CG2 4.46Å; V342-V348 HydrophobicContact CG2-CB 4.14Å; V342-V348 HydrophobicContact CG2-CG2 3.19Å; D344-V348 WeakPolarHBondContact O-CG2 3.3Å; D344-V348 PolarHBondContact O-N 3.25Å; D345-V348 PolarHBondContact O-N 2.84Å; V348-H350 VanDerWaalsContact C-N 3.33Å; V348-H350 PolarHBondContact O-N 2.86Å; V348-A351 PolarHBondContact O-N 3.33Å; V348-F352 HydrophobicContact CG1-CD2 3.63Å; V348-F352 HydrophobicContact CG1-CE2 3.67Å; V348-F352 VanDerWaalsContact O-CD2 3.31Å; V348-F352 WeakPolarHBondContact O-CD2 3.41Å; V348-F352 PolarHBondContact O-N 3.48Å
349L93.6Very high91.2Very high10 Ų1042.3 Ų42.35%0.05221%0.206CC..Hα-helixtrans-61.9-41.8179.3-178.961.2000111.7P307 M310 M311 D345 L346 D347 F352 T353 M361 L372P307-L349 HydrophobicContact CB-CD1 4.05Å; M310-L349 HydrophobicContact CE-CB 3.94Å; M310-L349 HydrophobicContact CE-CD1 3.96Å; M310-L349 HydrophobicContact SD-CB 4.08Å; M311-L349 HydrophobicContact CE-CD1 3.69Å; M311-L349 HydrophobicContact CE-CD2 4.04Å; M311-L349 HydrophobicContact CE-CG 4.5Å; M311-L349 HydrophobicContact CG-CD2 3.98Å; D345-L349 VanDerWaalsContact O-CB 3.32Å; D345-L349 WeakPolarHBondContact O-CB 3.37Å; D345-L349 PolarHBondContact O-N 2.71Å; L346-L349 PolarHBondContact O-N 3Å; D347-L349 VanDerWaalsContact C-N 3.33Å; L349-F352 PolarHBondContact O-N 3.38Å; L349-T353 WeakPolarHBondContact O-CB 3.23Å; L349-T353 PolarHBondContact O-N 3.06Å; L349-T353 PolarHBondContact O-OG1 3.25Å; L349-M361 HydrophobicContact CD1-CE 4.36Å; L349-M361 HydrophobicContact CD1-CG 4.33Å; L349-M361 HydrophobicContact CD1-SD 3.99Å; L349-L372 HydrophobicContact CD2-CD2 3.74Å
350H91.8Very high91.3Very high10 Ų1042.8 Ų42.85%0.04621%0.208CC..Hα-helixtrans-60.5-46.4175.9-174.3-92.3000111.5L346 D347 V348 T353 H354 P521 P523L346-H350 WeakPolarHBondContact O-CB 3.48Å; L346-H350 PolarHBondContact O-N 3.42Å; D347-H350 PolarHBondContact O-N 3.17Å; V348-H350 VanDerWaalsContact C-N 3.33Å; V348-H350 PolarHBondContact O-N 2.86Å; H350-T353 WeakPolarHBondContact O-CB 3.44Å; H350-T353 PolarHBondContact O-N 2.72Å; H350-H354 AromaticContact CE1-CE1 3.19Å; H350-H354 PolarHBondContact CE1-CE1 3.24Å; H350-H354 AromaticContact CE1-ND1 3.54Å; H350-H354 AromaticContact ND1-CE1 3.85Å; H350-H354 AromaticContact ND1-ND1 3.73Å; H350-H354 AromaticContact NE2-CE1 3.31Å; H350-H354 PolarHBondContact NE2-CE1 2.99Å; H350-H354 VanDerWaalsContact NE2-CE1 3.31Å; H350-H354 AromaticContact NE2-ND1 3.88Å; H350-H354 PolarHBondContact O-N 2.89Å; H350-H354 VanDerWaalsContact O-N 3.14Å; H350-H354 PolarHBondContact O-ND1 2.7Å; H350-P521 PolarHBondContact CE1-O 2.97Å; H350-P523 HydrophobicContact CB-CG 4.33Å
351A92.5Very high91.6Very high6 Ų641.6 Ų41.65%0.0520%0.202CC..Hα-helixtrans-62.5-45.6177.900000112.4I340 D347 V348 T353 H354 L355 I520I340-A351 HydrophobicContact CD1-CB 3.75Å; I340-A351 HydrophobicContact CG1-CB 4.22Å; I340-A351 HydrophobicContact CG2-CB 4.42Å; D347-A351 WeakPolarHBondContact O-CB 3.25Å; D347-A351 PolarHBondContact O-N 3.33Å; V348-A351 PolarHBondContact O-N 3.33Å; A351-T353 VanDerWaalsContact C-N 3.32Å; A351-T353 PolarHBondContact O-N 3.35Å; A351-H354 PolarHBondContact O-N 3.16Å; A351-L355 PolarHBondContact O-N 3.15Å; A351-I520 HydrophobicContact CB-CG2 3.93Å
352F93.7Very high92Very high1 Ų132.9 Ų32.90%0.00416%0.164CC..Hα-helixtrans-67.8-31.4176-82.4-68000113.1W323 I327 F339 I340 V348 L349 H354 L355 I356 M361W323-F352 HydrophobicContact CH2-CD1 4.44Å; W323-F352 HydrophobicContact CH2-CG 4.46Å; W323-F352 HydrophobicContact CZ2-CB 4.31Å; W323-F352 AromaticContact CZ2-CD1 3.91Å; W323-F352 HydrophobicContact CZ2-CD1 3.91Å; W323-F352 HydrophobicContact CZ2-CD2 4.06Å; W323-F352 HydrophobicContact CZ2-CE1 4.3Å; W323-F352 HydrophobicContact CZ2-CE2 4.4Å; W323-F352 AromaticContact CZ2-CG 3.82Å; W323-F352 HydrophobicContact CZ2-CG 3.82Å; I327-F352 HydrophobicContact CD1-CE1 3.47Å; I327-F352 VanDerWaalsContact CD1-CE1 3.47Å; I327-F352 HydrophobicContact CD1-CE2 3.94Å; I327-F352 HydrophobicContact CD1-CZ 3.1Å; I327-F352 HydrophobicContact CG1-CZ 4.16Å; F339-F352 HydrophobicContact CD1-CZ 4.44Å; F339-F352 HydrophobicContact CE1-CE1 4.43Å; I340-F352 HydrophobicContact CD1-CD1 4.34Å; I340-F352 HydrophobicContact CD1-CD2 3.71Å; I340-F352 HydrophobicContact CD1-CE1 3.99Å; I340-F352 HydrophobicContact CD1-CE2 3.33Å; I340-F352 HydrophobicContact CD1-CG 4.18Å; I340-F352 HydrophobicContact CD1-CZ 3.43Å; I340-F352 VanDerWaalsContact CD1-CZ 3.43Å; V348-F352 HydrophobicContact CG1-CD2 3.63Å; V348-F352 HydrophobicContact CG1-CE2 3.67Å; V348-F352 VanDerWaalsContact O-CD2 3.31Å; V348-F352 WeakPolarHBondContact O-CD2 3.41Å; V348-F352 PolarHBondContact O-N 3.48Å; L349-F352 PolarHBondContact O-N 3.38Å; F352-H354 VanDerWaalsContact C-N 3.3Å; F352-H354 PolarHBondContact O-N 3.34Å; F352-L355 HydrophobicContact CD1-CD2 3.92Å; F352-L355 HydrophobicContact CE1-CD2 3.97Å; F352-L355 PolarHBondContact O-N 3.31Å; F352-I356 HydrophobicContact CB-CD1 4.25Å; F352-I356 HydrophobicContact CD1-CD1 3.87Å; F352-I356 HydrophobicContact CD1-CG1 4.42Å; F352-I356 HydrophobicContact CG-CD1 4.46Å; F352-I356 VanDerWaalsContact O-CB 3.31Å; F352-I356 WeakPolarHBondContact O-CB 3.48Å; F352-I356 WeakPolarHBondContact O-CG1 3.31Å; F352-I356 PolarHBondContact O-N 3.41Å; F352-M361 HydrophobicContact CB-CE 3.78Å
353T94Very high92.3Very high0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-63.1-39.1174.7-560000111.1L349 H350 A351 G357 Y358 M361 L374 P378L349-T353 WeakPolarHBondContact O-CB 3.23Å; L349-T353 PolarHBondContact O-N 3.06Å; L349-T353 PolarHBondContact O-OG1 3.25Å; H350-T353 WeakPolarHBondContact O-CB 3.44Å; H350-T353 PolarHBondContact O-N 2.72Å; A351-T353 VanDerWaalsContact C-N 3.32Å; A351-T353 PolarHBondContact O-N 3.35Å; T353-G357 CarbonylContact O-C 3.19Å; T353-G357 VanDerWaalsContact O-CA 3.31Å; T353-G357 WeakPolarHBondContact O-CA 3.34Å; T353-G357 PolarHBondContact O-N 3.05Å; T353-Y358 HydrophobicContact CG2-CD2 3.87Å; T353-Y358 PolarHBondContact O-N 3.11Å; T353-M361 HydrophobicContact CG2-CB 4.02Å; T353-M361 HydrophobicContact CG2-CG 4.3Å; T353-M361 WeakPolarHBondContact OG1-CG 3.34Å; T353-L374 HydrophobicContact CG2-CD1 4.17Å; T353-L374 HydrophobicContact CG2-CD2 3.53Å; T353-P378 HydrophobicContact CG2-CG 4.47Å
354H91.3Very high92.7Very high9 Ų927.2 Ų27.24%0.04214%0.136CC..Hα-helixtrans-70.3-37.7174.3-78.973.9000113.2H350 A351 F352 P378 I520 P521H350-H354 AromaticContact CE1-CE1 3.19Å; H350-H354 PolarHBondContact CE1-CE1 3.24Å; H350-H354 AromaticContact CE1-ND1 3.54Å; H350-H354 AromaticContact ND1-CE1 3.85Å; H350-H354 AromaticContact ND1-ND1 3.73Å; H350-H354 AromaticContact NE2-CE1 3.31Å; H350-H354 PolarHBondContact NE2-CE1 2.99Å; H350-H354 VanDerWaalsContact NE2-CE1 3.31Å; H350-H354 AromaticContact NE2-ND1 3.88Å; H350-H354 PolarHBondContact O-N 2.89Å; H350-H354 VanDerWaalsContact O-N 3.14Å; H350-H354 PolarHBondContact O-ND1 2.7Å; A351-H354 PolarHBondContact O-N 3.16Å; F352-H354 VanDerWaalsContact C-N 3.3Å; F352-H354 PolarHBondContact O-N 3.34Å; H354-P378 HydrophobicContact CB-CB 4.49Å; H354-P378 VanDerWaalsContact CD2-CB 3.48Å; H354-P378 WeakPolarHBondContact CD2-CB 3.39Å; H354-I520 HydrophobicContact CB-CG2 4.43Å; H354-P521 WeakPolarHBondContact CD2-CD 3.23Å; H354-P521 WeakPolarHBondContact NE2-CD 3.27Å
355L92.6Very high93Very high5 Ų523.7 Ų23.73%0.02612%0.117CC..Hα-helixtrans-71.8-49.4180178.469.2000112.6I330 F339 A351 F352 W390 L391 R394 I398I330-L355 HydrophobicContact CD1-CD1 4.42Å; I330-L355 HydrophobicContact CD1-CD2 3.66Å; F339-L355 HydrophobicContact CE1-CD2 3.59Å; F339-L355 HydrophobicContact CZ-CD1 4.31Å; F339-L355 HydrophobicContact CZ-CD2 3.77Å; A351-L355 PolarHBondContact O-N 3.15Å; F352-L355 HydrophobicContact CD1-CD2 3.92Å; F352-L355 HydrophobicContact CE1-CD2 3.97Å; F352-L355 PolarHBondContact O-N 3.31Å; L355-W390 PolarHBondContact O-NE1 3.26Å; L355-L391 HydrophobicContact CG-CD2 4.24Å; L355-R394 HydrophobicContact CD1-CB 4.21Å; L355-R394 VanDerWaalsContact O-CD 3.29Å; L355-R394 WeakPolarHBondContact O-CD 3.07Å; L355-I398 HydrophobicContact CD1-CD1 4.37Å
356I92.7Very high93.3Very high0 Ų030.1 Ų30.10%014%0.139CC..Hα-helixtrans-87.3-25-171.2-63.1171.5000111.6W323 F352 R360 M361 L460 P462W323-I356 HydrophobicContact CH2-CD1 3.41Å; W323-I356 VanDerWaalsContact CH2-CD1 3.41Å; W323-I356 HydrophobicContact CZ2-CD1 4.21Å; W323-I356 HydrophobicContact CZ3-CD1 4.07Å; F352-I356 HydrophobicContact CB-CD1 4.25Å; F352-I356 HydrophobicContact CD1-CD1 3.87Å; F352-I356 HydrophobicContact CD1-CG1 4.42Å; F352-I356 HydrophobicContact CG-CD1 4.46Å; F352-I356 VanDerWaalsContact O-CB 3.31Å; F352-I356 WeakPolarHBondContact O-CB 3.48Å; F352-I356 WeakPolarHBondContact O-CG1 3.31Å; F352-I356 PolarHBondContact O-N 3.41Å; I356-R360 HydrophobicContact CG2-CB 4.26Å; I356-M361 HydrophobicContact CD1-CE 4.17Å; I356-L460 HydrophobicContact CD1-CB 4.06Å; I356-P462 HydrophobicContact CG2-CG 3.91Å
357G91.5Very high93.5Very high0 Ų026.9 Ų26.90%013%0.127CC..  trans108.2136.3-177.600000112.4T353 E359 R360 M361T353-G357 CarbonylContact O-C 3.19Å; T353-G357 VanDerWaalsContact O-CA 3.31Å; T353-G357 WeakPolarHBondContact O-CA 3.34Å; T353-G357 PolarHBondContact O-N 3.05Å; G357-E359 PolarHBondContact O-N 2.93Å; G357-R360 PolarHBondContact O-N 3.01Å; G357-M361 PolarHBondContact O-N 3.05Å; G357-M361 VanDerWaalsContact O-N 3.08Å
358Y92.2Very high93.6Very high32 Ų3225.3 Ų25.313%0.12512%0.118CC..Hα-helixtrans-59.9-48.3-176.4174.5-105.9000113.1T353 R360 M361 Q362 L372 L374 P378T353-Y358 HydrophobicContact CG2-CD2 3.87Å; T353-Y358 PolarHBondContact O-N 3.11Å; Y358-R360 VanDerWaalsContact C-N 3.31Å; Y358-R360 PolarHBondContact O-N 3.12Å; Y358-M361 PolarHBondContact O-N 2.91Å; Y358-Q362 VanDerWaalsContact O-CB 3.26Å; Y358-Q362 WeakPolarHBondContact O-CB 3.48Å; Y358-Q362 PolarHBondContact O-N 3.47Å; Y358-Q362 PolarHBondContact OH-OE1 3.43Å; Y358-Q362 VanDerWaalsContact OH-OE1 3.13Å; Y358-L372 PolarHBondContact OH-O 2.92Å; Y358-L374 HydrophobicContact CD2-CD1 4.03Å; Y358-L374 HydrophobicContact CE2-CB 4.45Å; Y358-L374 HydrophobicContact CE2-CD1 3.78Å; Y358-P378 VanDerWaalsContact CB-CG 3.46Å; Y358-P378 HydrophobicContact CG-CG 4.42Å
359E91.9Very high93.6Very high107 Ų10728.7 Ų28.750%0.515%0.153SC..Hα-helixtrans-61.6-39.6-177.8-65.4-56.2148.400112.3G357 Q362 M363G357-E359 PolarHBondContact O-N 2.93Å; E359-Q362 PolarHBondContact O-N 3.25Å; E359-M363 WeakPolarHBondContact O-CG 3.32Å; E359-M363 PolarHBondContact O-N 3.28Å
360R93.8Very high93.5Very high20 Ų2033 Ų338%0.07517%0.169CC..Hα-helixtrans-65.4-46.4175.8-68-17267.7-146.9-0.1111.8I356 G357 Y358 Q362 M363 G364 M381 E461 P462I356-R360 HydrophobicContact CG2-CB 4.26Å; G357-R360 PolarHBondContact O-N 3.01Å; Y358-R360 VanDerWaalsContact C-N 3.31Å; Y358-R360 PolarHBondContact O-N 3.12Å; R360-Q362 VanDerWaalsContact C-N 3.3Å; R360-Q362 PolarHBondContact O-N 3.38Å; R360-M363 HydrophobicContact CB-CE 4.44Å; R360-M363 HydrophobicContact CG-CE 4.12Å; R360-M363 PolarHBondContact O-N 3.23Å; R360-G364 PolarHBondContact O-N 3.41Å; R360-M381 HydrophobicContact CG-SD 4.25Å; R360-E461 IonicContact CZ-OE2 3.74Å; R360-E461 IonicContact NH2-OE2 2.71Å; R360-E461 PolarHBondContact NH2-OE2 3.2Å; R360-P462 HydrophobicContact CB-CG 4.38Å
361M95.5Very high93.5Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-64.3-37.7177.2-168.465.97400111.6P307 W323 L349 F352 T353 I356 G357 Y358 G364 A365 L372 P462P307-M361 HydrophobicContact CB-SD 3.78Å; P307-M361 HydrophobicContact CG-CE 4.04Å; P307-M361 HydrophobicContact CG-SD 3.56Å; P307-M361 VanDerWaalsContact CG-SD 3.56Å; W323-M361 HydrophobicContact CH2-CE 4.22Å; L349-M361 HydrophobicContact CD1-CE 4.36Å; L349-M361 HydrophobicContact CD1-CG 4.33Å; L349-M361 HydrophobicContact CD1-SD 3.99Å; F352-M361 HydrophobicContact CB-CE 3.78Å; T353-M361 HydrophobicContact CG2-CB 4.02Å; T353-M361 HydrophobicContact CG2-CG 4.3Å; T353-M361 WeakPolarHBondContact OG1-CG 3.34Å; I356-M361 HydrophobicContact CD1-CE 4.17Å; G357-M361 PolarHBondContact O-N 3.05Å; G357-M361 VanDerWaalsContact O-N 3.08Å; Y358-M361 PolarHBondContact O-N 2.91Å; M361-G364 PolarHBondContact O-N 3.3Å; M361-A365 PolarHBondContact O-N 2.94Å; M361-L372 HydrophobicContact CB-CD1 4.23Å; M361-L372 HydrophobicContact CG-CD1 3.36Å; M361-P462 HydrophobicContact SD-CB 3.97Å; M361-P462 HydrophobicContact SD-CG 4.29Å
362Q94.6Very high93.5Very high2 Ų239.7 Ų39.71%0.00919%0.194CC..Hα-helixtrans-63.8-41.1175.5-168.470.83400111.7Y358 E359 R360 A365 R366 R371 L372Y358-Q362 VanDerWaalsContact O-CB 3.26Å; Y358-Q362 WeakPolarHBondContact O-CB 3.48Å; Y358-Q362 PolarHBondContact O-N 3.47Å; Y358-Q362 PolarHBondContact OH-OE1 3.43Å; Y358-Q362 VanDerWaalsContact OH-OE1 3.13Å; E359-Q362 PolarHBondContact O-N 3.25Å; R360-Q362 VanDerWaalsContact C-N 3.3Å; R360-Q362 PolarHBondContact O-N 3.38Å; Q362-A365 PolarHBondContact O-N 3.2Å; Q362-R366 WeakPolarHBondContact O-CG 3.41Å; Q362-R366 PolarHBondContact O-N 2.93Å; Q362-R371 VanDerWaalsContact NE2-CG 3.28Å; Q362-L372 PolarHBondContact NE2-O 3.07Å; Q362-L372 PolarHBondContact OE1-O 3.48Å
363M94.1Very high93.3Very high106 Ų10642.2 Ų42.252%0.52221%0.207SC..Hα-helixtrans-61.7-43.9172.7-74.9-171.8-69.300111.5E359 R360 R366 S367E359-M363 WeakPolarHBondContact O-CG 3.32Å; E359-M363 PolarHBondContact O-N 3.28Å; R360-M363 HydrophobicContact CB-CE 4.44Å; R360-M363 HydrophobicContact CG-CE 4.12Å; R360-M363 PolarHBondContact O-N 3.23Å; M363-R366 PolarHBondContact O-N 3.25Å; M363-S367 PolarHBondContact O-N 2.76Å
364G96.5Very high93Very high1 Ų143.2 Ų43.21%0.0121%0.212CC..Hα-helixtrans-57.3-50.117300000112.2R360 M361 R366 S367R360-G364 PolarHBondContact O-N 3.41Å; M361-G364 PolarHBondContact O-N 3.3Å; G364-R366 VanDerWaalsContact C-N 3.35Å; G364-R366 PolarHBondContact O-N 3.07Å; G364-S367 PolarHBondContact O-N 3.02Å; G364-S367 VanDerWaalsContact O-N 3.15Å; G364-S367 PolarHBondContact O-OG 3.45Å
365A96.2Very high92.8Very high0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-57.4-44.9176.100000112.3M311 M361 Q362 S367 I368 G369 R370 L372M311-A365 HydrophobicContact CE-CB 3.93Å; M311-A365 HydrophobicContact SD-CB 3.69Å; M361-A365 PolarHBondContact O-N 2.94Å; Q362-A365 PolarHBondContact O-N 3.2Å; A365-S367 VanDerWaalsContact C-N 3.3Å; A365-S367 PolarHBondContact O-N 3.29Å; A365-I368 WeakPolarHBondContact O-CG1 3.38Å; A365-I368 PolarHBondContact O-N 3.26Å; A365-G369 PolarHBondContact O-N 2.78Å; A365-R370 CarbonylContact C-O 3.54Å; A365-R370 HydrophobicContact CB-CB 4.3Å; A365-R370 CarbonylContact O-C 3.57Å; A365-R370 WeakPolarHBondContact O-CA 3.34Å; A365-R370 WeakPolarHBondContact O-CB 3.27Å; A365-R370 PolarHBondContact O-N 3.3Å; A365-L372 HydrophobicContact CB-CD1 4.08Å; A365-L372 HydrophobicContact CB-CG 3.8Å
366R95.7Very high92.4Very high158 Ų15850 Ų5060%0.59625%0.252SS*.Hα-helixtrans-62.1-37.5177.8-74.8176.2-175.3164.27.2112.1Q362 M363 G364 I368 G369 R370Q362-R366 WeakPolarHBondContact O-CG 3.41Å; Q362-R366 PolarHBondContact O-N 2.93Å; M363-R366 PolarHBondContact O-N 3.25Å; G364-R366 VanDerWaalsContact C-N 3.35Å; G364-R366 PolarHBondContact O-N 3.07Å; R366-I368 PolarHBondContact O-N 2.91Å; R366-G369 PolarHBondContact O-N 3.21Å; R366-R370 WeakPolarHBondContact CA-O 3.37Å; R366-R370 PolarHBondContact N-O 2.97Å
367S95.6Very high92Very high51 Ų5158.5 Ų58.536%0.35728%0.284SS..Hα-helixtrans-62.6-22.2179.674.20000113.8M363 G364 A365 C463M363-S367 PolarHBondContact O-N 2.76Å; G364-S367 PolarHBondContact O-N 3.02Å; G364-S367 VanDerWaalsContact O-N 3.15Å; G364-S367 PolarHBondContact O-OG 3.45Å; A365-S367 VanDerWaalsContact C-N 3.3Å; A365-S367 PolarHBondContact O-N 3.29Å; S367-C463 VanDerWaalsContact CB-SG 3.6Å; S367-C463 PolarHBondContact OG-SG 3.45Å; S367-C463 VanDerWaalsContact OG-SG 3.35Å
368I93.8Very high91.6Very high14 Ų1459 Ų597%0.07229%0.287CS..THydrogen-bonded Turntrans-107.116.5177.361.6170.1000113E308 M311 H313 A365 R366 R370 P464E308-I368 HydrophobicContact CB-CD1 3.92Å; E308-I368 HydrophobicContact CB-CG2 4.31Å; M311-I368 HydrophobicContact CB-CD1 4.08Å; M311-I368 HydrophobicContact SD-CD1 3.98Å; H313-I368 HydrophobicContact CB-CB 4.35Å; H313-I368 HydrophobicContact CB-CD1 4.14Å; H313-I368 PolarHBondContact ND1-O 2.91Å; A365-I368 WeakPolarHBondContact O-CG1 3.38Å; A365-I368 PolarHBondContact O-N 3.26Å; R366-I368 PolarHBondContact O-N 2.91Å; I368-R370 HydrophobicContact CD1-CB 4.41Å; I368-R370 HydrophobicContact CD1-CG 4.09Å; I368-R370 HydrophobicContact CG1-CB 4.14Å; I368-R370 HydrophobicContact CG1-CG 4Å; I368-R370 PolarHBondContact O-N 3.39Å; I368-P464 HydrophobicContact CG2-CG 3.95Å
369G92.3Very high91.1Very high71 Ų7161.8 Ų61.873%0.73231%0.309SS*.THydrogen-bonded Turntrans72.124.4179.200000114.5A365 R366A365-G369 PolarHBondContact O-N 2.78Å; R366-G369 PolarHBondContact O-N 3.21Å
370R92.2Very high90.6Very high100 Ų10061.1 Ų61.138%0.37731%0.314SS..  trans-116.8163.3-179.9-62.4-67-166-176.1-4111.4M311 R312 A365 R366 I368M311-R370 HydrophobicContact CB-CG 4.16Å; M311-R370 PolarHBondContact O-NE 2.97Å; M311-R370 PolarHBondContact O-NH2 3.29Å; M311-R370 HydrophobicContact SD-CB 3.91Å; M311-R370 HydrophobicContact SD-CG 4.4Å; R312-R370 PolarHBondContact O-NH2 3.46Å; A365-R370 CarbonylContact C-O 3.54Å; A365-R370 HydrophobicContact CB-CB 4.3Å; A365-R370 CarbonylContact O-C 3.57Å; A365-R370 WeakPolarHBondContact O-CA 3.34Å; A365-R370 WeakPolarHBondContact O-CB 3.27Å; A365-R370 PolarHBondContact O-N 3.3Å; R366-R370 WeakPolarHBondContact CA-O 3.37Å; R366-R370 PolarHBondContact N-O 2.97Å; I368-R370 HydrophobicContact CD1-CB 4.41Å; I368-R370 HydrophobicContact CD1-CG 4.09Å; I368-R370 HydrophobicContact CG1-CB 4.14Å; I368-R370 HydrophobicContact CG1-CG 4Å; I368-R370 PolarHBondContact O-N 3.39Å
371R91.6Very high90.1Very high138 Ų13862.1 Ų62.152%0.52132%0.32SS..  trans-133.7132.6175.3-172.9-173.2179.8161.34.2108.8G278 Q362G278-R371 WeakPolarHBondContact O-CD 3.39Å; G278-R371 PolarHBondContact O-NH1 3.43Å; Q362-R371 VanDerWaalsContact NE2-CG 3.28Å
372L91.5Very high89.4Confident18 Ų1868.1 Ų68.19%0.09435%0.348CS..  trans-95.6141.7170.7-58.2173.2000110.9M311 L349 Y358 M361 Q362 A365 L374M311-L372 HydrophobicContact CE-CD1 3.78Å; M311-L372 HydrophobicContact CE-CD2 3.8Å; M311-L372 HydrophobicContact CE-CG 4.07Å; M311-L372 HydrophobicContact CG-CD2 4.38Å; M311-L372 HydrophobicContact SD-CD2 3.79Å; M311-L372 HydrophobicContact SD-CG 4.28Å; L349-L372 HydrophobicContact CD2-CD2 3.74Å; Y358-L372 PolarHBondContact OH-O 2.92Å; M361-L372 HydrophobicContact CB-CD1 4.23Å; M361-L372 HydrophobicContact CG-CD1 3.36Å; Q362-L372 PolarHBondContact NE2-O 3.07Å; Q362-L372 PolarHBondContact OE1-O 3.48Å; A365-L372 HydrophobicContact CB-CD1 4.08Å; A365-L372 HydrophobicContact CB-CG 3.8Å; L372-L374 HydrophobicContact CB-CD1 3.74Å
373L90.2Very high88.4Confident55 Ų5573.5 Ų73.529%0.28839%0.393SS..  trans-129.8126.6170.4-60.4176.2000105.3R280 L281R280-L373 WeakPolarHBondContact O-CD1 3.27Å; L281-L373 HydrophobicContact CD2-CB 3.48Å; L281-L373 VanDerWaalsContact CD2-CB 3.48Å; L281-L373 HydrophobicContact CG-CB 4.04Å
374L87.4Confident87.8Confident21 Ų2173.6 Ų73.611%0.1140%0.404CS..  trans-132.3145.4-176.2-81.585.5000109.3T353 Y358 L372 R377T353-L374 HydrophobicContact CG2-CD1 4.17Å; T353-L374 HydrophobicContact CG2-CD2 3.53Å; Y358-L374 HydrophobicContact CD2-CD1 4.03Å; Y358-L374 HydrophobicContact CE2-CB 4.45Å; Y358-L374 HydrophobicContact CE2-CD1 3.78Å; L372-L374 HydrophobicContact CB-CD1 3.74Å; L374-R377 VanDerWaalsContact O-CG 3.27Å; L374-R377 WeakPolarHBondContact O-CG 3.23Å
375D86Confident87.2Confident97 Ų9776 Ų7652%0.51942%0.417SS..SBendtrans-144.6124.4170.4-16924.3000109.3L281 F525L281-D375 HydrophobicContact CD1-CB 3.4Å; L281-D375 VanDerWaalsContact CD1-CB 3.4Å; D375-F525 HydrophobicContact CB-CE1 4Å; D375-F525 HydrophobicContact CB-CZ 4.42Å; D375-F525 WeakPolarHBondContact O-CZ 3.44Å
376P85.1Confident87Confident58 Ų5878.3 Ų78.338%0.37743%0.433SS..SBendcis-64.6148.1-10.630.1-34.5000111.1P521P376-P521 HydrophobicContact CG-CB 4.26Å; P376-P521 HydrophobicContact CG-CG 4.42Å
377R83.7Confident86.9Confident179 Ų17973 Ų7368%0.67542%0.419SS*.PPolyproline II helixtrans-70.1137.4167.2-72.3-174.6-74.4172.1-2108.9L374L374-R377 VanDerWaalsContact O-CG 3.27Å; L374-R377 WeakPolarHBondContact O-CG 3.23Å
378P83.8Confident86.8Confident11 Ų1171.5 Ų71.57%0.07141%0.408CS..PPolyproline II helixtrans-62.3154.8173.426.4-34000110.1T353 H354 Y358T353-P378 HydrophobicContact CG2-CG 4.47Å; H354-P378 HydrophobicContact CB-CB 4.49Å; H354-P378 VanDerWaalsContact CD2-CB 3.48Å; H354-P378 WeakPolarHBondContact CD2-CB 3.39Å; Y358-P378 VanDerWaalsContact CB-CG 3.46Å; Y358-P378 HydrophobicContact CG-CG 4.42Å
379P82.3Confident86.8Confident90 Ų9074.5 Ų74.558%0.58442%0.422SS*.PPolyproline II helixtrans-51.7136.7169.5-23.732.8000110.5
380P81.7Confident86.9Confident93 Ų9371.8 Ų71.860%0.60439%0.39SS*.PPolyproline II helixtrans-62.9154.9178.528-34000110.7
381M82Confident86.9Confident42 Ų4267 Ų6721%0.20737%0.372CS..PPolyproline II helixtrans-69.9134.6164.1-64.8-175.956.600108.5R360 D385 W390R360-M381 HydrophobicContact CG-SD 4.25Å; M381-D385 HydrophobicContact CE-CB 4.19Å; M381-W390 HydrophobicContact CB-CD2 4.47Å; M381-W390 HydrophobicContact CB-CE3 4.11Å; M381-W390 HydrophobicContact CB-CH2 4.13Å; M381-W390 HydrophobicContact CB-CZ2 4.48Å; M381-W390 HydrophobicContact CB-CZ3 3.98Å; M381-W390 HydrophobicContact CE-CB 3.58Å; M381-W390 HydrophobicContact CE-CD2 3.77Å; M381-W390 HydrophobicContact CE-CE3 4.12Å; M381-W390 HydrophobicContact CE-CG 3.61Å; M381-W390 HydrophobicContact CG-CD2 3.56Å; M381-W390 VanDerWaalsContact CG-CE2 3.48Å; M381-W390 HydrophobicContact CG-CE3 3.67Å; M381-W390 HydrophobicContact CG-CG 4.3Å; M381-W390 HydrophobicContact CG-CH2 3.56Å; M381-W390 HydrophobicContact CG-CZ2 3.44Å; M381-W390 VanDerWaalsContact CG-CZ2 3.44Å; M381-W390 HydrophobicContact CG-CZ3 3.71Å; M381-W390 HydrophobicContact SD-CD2 3.96Å; M381-W390 HydrophobicContact SD-CG 4.06Å; M381-W390 HydrophobicContact SD-CZ2 4.46Å
382E80.6Confident87.1Confident125 Ų12562.1 Ų62.158%0.58436%0.355SS*.PPolyproline II helixtrans-62.3147.4172.8-65.6-59.4148.900109.4S384 D385E382-S384 PolarHBondContact O-N 3.5Å; E382-D385 WeakPolarHBondContact O-CB 3.38Å; E382-D385 PolarHBondContact O-N 3.21Å
383A75.2Confident87.2Confident115 Ų11566 Ų6695%0.9537%0.374SS*.THydrogen-bonded Turntrans-59.5-24.9-175.100000113.3
384S80.8Confident87.3Confident109 Ų10965.9 Ų65.976%0.76237%0.37SS*.THydrogen-bonded Turntrans-83-14.1175.953.40000114.3E382 S386E382-S384 PolarHBondContact O-N 3.5Å; S384-S386 PolarHBondContact O-N 2.8Å
385D83.8Confident87.5Confident50 Ų5064.9 Ų64.927%0.26737%0.365SS..  trans-78.3113.8-173.9-76.1-18.3000111.2M381 E382 W390M381-D385 HydrophobicContact CE-CB 4.19Å; E382-D385 WeakPolarHBondContact O-CB 3.38Å; E382-D385 PolarHBondContact O-N 3.21Å; D385-W390 HydrophobicContact CB-CE3 4.28Å
386S92.1Very high87.8Confident49 Ų4961.2 Ų61.234%0.34335%0.347SS..  trans-70.6149.216668.80000110.8S384 V388 M389 W390S384-S386 PolarHBondContact O-N 2.8Å; S386-V388 PolarHBondContact O-N 3.32Å; S386-M389 PolarHBondContact O-N 3.48Å; S386-M389 VanDerWaalsContact O-N 3.1Å; S386-M389 WeakPolarHBondContact OG-CG 3.43Å; S386-M389 PolarHBondContact OG-N 3.47Å; S386-W390 WeakPolarHBondContact O-CB 3.48Å; S386-W390 PolarHBondContact O-N 3.43Å
387P92.3Very high88.2Confident47 Ų4759.2 Ų59.231%0.30534%0.335SS..Hα-helixtrans-46.8-36.7169.9-34.239.3000114.4L391 A457P387-L391 WeakPolarHBondContact O-CB 3.44Å; P387-L391 WeakPolarHBondContact O-CG 3.45Å; P387-L391 PolarHBondContact O-N 3.22Å; P387-L391 VanDerWaalsContact O-N 3.08Å; P387-A457 HydrophobicContact CB-CB 4.17Å
388V95.2Very high88.6Confident19 Ų1952.2 Ų52.212%0.11531%0.311CS..Hα-helixtrans-65.7-51.4-179.8-176.70000110.9S386 K392 T450 D454 A457S386-V388 PolarHBondContact O-N 3.32Å; V388-K392 VanDerWaalsContact O-CB 3.28Å; V388-K392 WeakPolarHBondContact O-CB 3.47Å; V388-K392 PolarHBondContact O-N 3.11Å; V388-T450 HydrophobicContact CG1-CG2 3.86Å; V388-D454 HydrophobicContact CG1-CB 4.27Å; V388-D454 HydrophobicContact CG2-CB 4.15Å; V388-D454 WeakPolarHBondContact CG2-OD1 3.48Å; V388-A457 HydrophobicContact CG2-CB 4.36Å
389M93.9Very high89Confident77 Ų7752 Ų5238%0.37931%0.308SS..Hα-helixtrans-68.6-38.5-179.4-69.7-55.4-62.200111.8S386 L391 K392 I393S386-M389 PolarHBondContact O-N 3.48Å; S386-M389 VanDerWaalsContact O-N 3.1Å; S386-M389 WeakPolarHBondContact OG-CG 3.43Å; S386-M389 PolarHBondContact OG-N 3.47Å; M389-L391 PolarHBondContact O-N 3.22Å; M389-K392 HydrophobicContact CE-CD 4.26Å; M389-K392 PolarHBondContact O-N 3.43Å; M389-K392 HydrophobicContact SD-CD 4.11Å; M389-I393 WeakPolarHBondContact O-CG1 3.35Å; M389-I393 PolarHBondContact O-N 3.39Å
390W92.6Very high89.5Confident14 Ų1450.2 Ų50.25%0.05329%0.294CS..Hα-helixtrans-57.8-49175.4-177.7-93.1000112.8L355 M381 D385 S386 R394L355-W390 PolarHBondContact O-NE1 3.26Å; M381-W390 HydrophobicContact CB-CD2 4.47Å; M381-W390 HydrophobicContact CB-CE3 4.11Å; M381-W390 HydrophobicContact CB-CH2 4.13Å; M381-W390 HydrophobicContact CB-CZ2 4.48Å; M381-W390 HydrophobicContact CB-CZ3 3.98Å; M381-W390 HydrophobicContact CE-CB 3.58Å; M381-W390 HydrophobicContact CE-CD2 3.77Å; M381-W390 HydrophobicContact CE-CE3 4.12Å; M381-W390 HydrophobicContact CE-CG 3.61Å; M381-W390 HydrophobicContact CG-CD2 3.56Å; M381-W390 VanDerWaalsContact CG-CE2 3.48Å; M381-W390 HydrophobicContact CG-CE3 3.67Å; M381-W390 HydrophobicContact CG-CG 4.3Å; M381-W390 HydrophobicContact CG-CH2 3.56Å; M381-W390 HydrophobicContact CG-CZ2 3.44Å; M381-W390 VanDerWaalsContact CG-CZ2 3.44Å; M381-W390 HydrophobicContact CG-CZ3 3.71Å; M381-W390 HydrophobicContact SD-CD2 3.96Å; M381-W390 HydrophobicContact SD-CG 4.06Å; M381-W390 HydrophobicContact SD-CZ2 4.46Å; D385-W390 HydrophobicContact CB-CE3 4.28Å; S386-W390 WeakPolarHBondContact O-CB 3.48Å; S386-W390 PolarHBondContact O-N 3.43Å; W390-R394 VanDerWaalsContact CZ2-NH1 3.26Å; W390-R394 PolarHBondContact O-N 3.07Å
391L94.1Very high89.8Confident0 Ų052.8 Ų52.80%029%0.293CS..Hα-helixtrans-69.8-37.7176.6-74.6173.3000111.8L355 P387 M389 I393 R394 C395 L456 A457L355-L391 HydrophobicContact CG-CD2 4.24Å; P387-L391 WeakPolarHBondContact O-CB 3.44Å; P387-L391 WeakPolarHBondContact O-CG 3.45Å; P387-L391 PolarHBondContact O-N 3.22Å; P387-L391 VanDerWaalsContact O-N 3.08Å; M389-L391 PolarHBondContact O-N 3.22Å; L391-I393 PolarHBondContact O-N 3.43Å; L391-R394 PolarHBondContact O-N 3.26Å; L391-C395 VanDerWaalsContact O-CB 3.26Å; L391-C395 WeakPolarHBondContact O-CB 3.26Å; L391-C395 PolarHBondContact O-N 3.34Å; L391-C395 PolarHBondContact O-SG 2.72Å; L391-L456 HydrophobicContact CB-CD2 4.42Å; L391-L456 HydrophobicContact CD1-CD2 4.29Å; L391-L456 HydrophobicContact CD1-CG 4.31Å; L391-A457 HydrophobicContact CD1-CB 3.86Å
392K95Very high90Very high36 Ų3651.7 Ų51.716%0.15729%0.287CS..Hα-helixtrans-56.6-50.4175.8176.9173-176.9178.90111.8V388 M389 S396 Y453V388-K392 VanDerWaalsContact O-CB 3.28Å; V388-K392 WeakPolarHBondContact O-CB 3.47Å; V388-K392 PolarHBondContact O-N 3.11Å; M389-K392 HydrophobicContact CE-CD 4.26Å; M389-K392 PolarHBondContact O-N 3.43Å; M389-K392 HydrophobicContact SD-CD 4.11Å; K392-S396 VanDerWaalsContact O-CB 3.27Å; K392-S396 WeakPolarHBondContact O-CB 3.36Å; K392-S396 PolarHBondContact O-N 3.45Å; K392-S396 PolarHBondContact O-OG 2.96Å; K392-Y453 HydrophobicContact CB-CD1 4.04Å; K392-Y453 HydrophobicContact CB-CD2 3.73Å; K392-Y453 HydrophobicContact CB-CE1 4.37Å; K392-Y453 HydrophobicContact CB-CE2 4.08Å; K392-Y453 HydrophobicContact CB-CG 3.69Å; K392-Y453 HydrophobicContact CD-CD2 3.88Å; K392-Y453 HydrophobicContact CD-CE2 3.99Å; K392-Y453 HydrophobicContact CG-CD2 3.65Å; K392-Y453 HydrophobicContact CG-CE1 4.48Å; K392-Y453 HydrophobicContact CG-CE2 3.57Å; K392-Y453 HydrophobicContact CG-CG 4.13Å
393I92.5Very high89.9Confident99 Ų9951.5 Ų51.551%0.50828%0.284SS..Hα-helixtrans-61.2-49.3-179.5-68166.2000110.1M389 L391 S396 A397M389-I393 WeakPolarHBondContact O-CG1 3.35Å; M389-I393 PolarHBondContact O-N 3.39Å; L391-I393 PolarHBondContact O-N 3.43Å; I393-S396 PolarHBondContact O-N 3.41Å; I393-A397 WeakPolarHBondContact O-CB 3.26Å; I393-A397 PolarHBondContact O-N 3.14Å
394R92.3Very high90Very high53 Ų5350.5 Ų50.520%0.226%0.258CS..Hα-helixtrans-64.3-48-179.3-75.7177.3169.761.66.1113L355 W390 L391 S396 A397 I398L355-R394 HydrophobicContact CD1-CB 4.21Å; L355-R394 VanDerWaalsContact O-CD 3.29Å; L355-R394 WeakPolarHBondContact O-CD 3.07Å; W390-R394 VanDerWaalsContact CZ2-NH1 3.26Å; W390-R394 PolarHBondContact O-N 3.07Å; L391-R394 PolarHBondContact O-N 3.26Å; R394-S396 VanDerWaalsContact C-N 3.31Å; R394-S396 PolarHBondContact O-N 2.86Å; R394-A397 PolarHBondContact O-N 3.27Å; R394-I398 VanDerWaalsContact O-CG1 3.26Å; R394-I398 WeakPolarHBondContact O-CG1 3.47Å; R394-I398 PolarHBondContact O-N 3.48Å
395C93.3Very high89.5Confident0 Ų046.1 Ų46.10%023%0.226CC..Hα-helixtrans-62.4-40.7179.4-66.90000111.4L391 I398 R399 Y453L391-C395 VanDerWaalsContact O-CB 3.26Å; L391-C395 WeakPolarHBondContact O-CB 3.26Å; L391-C395 PolarHBondContact O-N 3.34Å; L391-C395 PolarHBondContact O-SG 2.72Å; C395-I398 PolarHBondContact O-N 3.03Å; C395-R399 WeakPolarHBondContact O-CB 3.47Å; C395-R399 PolarHBondContact O-N 3.12Å; C395-Y453 HydrophobicContact CB-CD1 4.42Å; C395-Y453 HydrophobicContact CB-CE1 3.77Å
396S92.6Very high88.3Confident20 Ų2048 Ų4814%0.1425%0.248CC..Hα-helixtrans-65.9-40.6176.9-53.80000111.6K392 I393 R394 R399 L400 Y453K392-S396 VanDerWaalsContact O-CB 3.27Å; K392-S396 WeakPolarHBondContact O-CB 3.36Å; K392-S396 PolarHBondContact O-N 3.45Å; K392-S396 PolarHBondContact O-OG 2.96Å; I393-S396 PolarHBondContact O-N 3.41Å; R394-S396 VanDerWaalsContact C-N 3.31Å; R394-S396 PolarHBondContact O-N 2.86Å; S396-R399 PolarHBondContact O-N 3.27Å; S396-L400 WeakPolarHBondContact O-CB 3.31Å; S396-L400 PolarHBondContact O-N 3.07Å; S396-Y453 PolarHBondContact OG-OH 2.98Å
397A92.2Very high86.1Confident16 Ų1649 Ų4913%0.13227%0.266CS..Hα-helixtrans-63.8-46.5174.800000111.8I393 R394 R399 L400 Y401I393-A397 WeakPolarHBondContact O-CB 3.26Å; I393-A397 PolarHBondContact O-N 3.14Å; R394-A397 PolarHBondContact O-N 3.27Å; A397-R399 VanDerWaalsContact C-N 3.29Å; A397-R399 PolarHBondContact O-N 3.32Å; A397-L400 PolarHBondContact O-N 3.13Å; A397-Y401 WeakPolarHBondContact O-CD2 3.31Å; A397-Y401 PolarHBondContact O-N 3.06Å
398I92.1Very high83.7Confident32 Ų3251.1 Ų51.116%0.16427%0.274CS..Hα-helixtrans-58.2-45.4176.3-65.4164.1000110.1R336 F339 L355 R394 C395 L400 Y401 E402R336-I398 HydrophobicContact CB-CG2 4.45Å; F339-I398 HydrophobicContact CE2-CD1 4.03Å; F339-I398 HydrophobicContact CZ-CD1 4.01Å; L355-I398 HydrophobicContact CD1-CD1 4.37Å; R394-I398 VanDerWaalsContact O-CG1 3.26Å; R394-I398 WeakPolarHBondContact O-CG1 3.47Å; R394-I398 PolarHBondContact O-N 3.48Å; C395-I398 PolarHBondContact O-N 3.03Å; I398-L400 PolarHBondContact O-N 2.76Å; I398-Y401 PolarHBondContact O-N 3.25Å; I398-E402 WeakPolarHBondContact O-CB 3.26Å; I398-E402 PolarHBondContact O-N 3.11Å
399R93.4Very high80.7Confident5 Ų555.3 Ų55.32%0.01930%0.302CS..Hα-helixtrans-60.2-44.6178.3-169-174.4-174.872.514.1112.7F332 L333 S334 C395 S396 A397 Y401 E402 F405 L442 S443 S444 H446F332-R399 PolarHBondContact O-NH1 3.3Å; L333-R399 PolarHBondContact O-NH1 3.08Å; L333-R399 VanDerWaalsContact O-NH1 3.11Å; S334-R399 VanDerWaalsContact O-CA 3.23Å; S334-R399 WeakPolarHBondContact O-CA 3.48Å; C395-R399 WeakPolarHBondContact O-CB 3.47Å; C395-R399 PolarHBondContact O-N 3.12Å; S396-R399 PolarHBondContact O-N 3.27Å; A397-R399 VanDerWaalsContact C-N 3.29Å; A397-R399 PolarHBondContact O-N 3.32Å; R399-Y401 VanDerWaalsContact C-N 3.29Å; R399-Y401 PolarHBondContact O-N 3.45Å; R399-E402 PolarHBondContact O-N 3.23Å; R399-F405 HydrophobicContact CG-CE2 3.87Å; R399-F405 HydrophobicContact CG-CZ 4.21Å; R399-F405 WeakPolarHBondContact O-CD2 3.37Å; R399-L442 VanDerWaalsContact NH2-C 3.3Å; R399-L442 PolarHBondContact NH2-O 3.5Å; R399-S443 PolarHBondContact NE-O 2.84Å; R399-S443 PolarHBondContact NH2-O 3.1Å; R399-S444 WeakPolarHBondContact CG-O 3.44Å; R399-H446 WeakPolarHBondContact CD-O 3.45Å
400L91.2Very high78.1Confident54 Ų5457.6 Ų57.628%0.28332%0.322SS..Hα-helixtrans-60.2-39.1-179.3-176.763.6000112.2S396 A397 I398 T445 Y494S396-L400 WeakPolarHBondContact O-CB 3.31Å; S396-L400 PolarHBondContact O-N 3.07Å; A397-L400 PolarHBondContact O-N 3.13Å; I398-L400 PolarHBondContact O-N 2.76Å; L400-T445 HydrophobicContact CD1-CG2 4.05Å; L400-Y494 HydrophobicContact CD2-CE2 4.46Å
401Y87.8Confident75.7Confident147 Ų14763.7 Ų63.758%0.57636%0.355SS*.Hα-helixtrans-98.12.3-176.2-65.4-66.7000114.6A397 I398 R399 K403A397-Y401 WeakPolarHBondContact O-CD2 3.31Å; A397-Y401 PolarHBondContact O-N 3.06Å; I398-Y401 PolarHBondContact O-N 3.25Å; R399-Y401 VanDerWaalsContact C-N 3.29Å; R399-Y401 PolarHBondContact O-N 3.45Å; Y401-K403 PolarHBondContact O-N 3.06Å
402E86.2Confident72.9Confident19 Ų1971.7 Ų71.79%0.08940%0.397CS..  trans-71121.2-179.2178.654.4-114.600110.6R336 I398 R399 K404 F405R336-E402 WeakPolarHBondContact CG-OE2 3.42Å; R336-E402 IonicContact CZ-OE2 4Å; R336-E402 IonicContact NH1-OE2 3Å; R336-E402 PolarHBondContact NH1-OE2 2.91Å; I398-E402 WeakPolarHBondContact O-CB 3.26Å; I398-E402 PolarHBondContact O-N 3.11Å; R399-E402 PolarHBondContact O-N 3.23Å; E402-K404 HydrophobicContact CG-CB 4.39Å; E402-K404 PolarHBondContact O-N 2.96Å; E402-K404 VanDerWaalsContact O-N 3.12Å; E402-F405 HydrophobicContact CB-CD2 3.79Å; E402-F405 HydrophobicContact CB-CE2 3.94Å; E402-F405 HydrophobicContact CG-CD2 4.17Å; E402-F405 HydrophobicContact CG-CE2 4.14Å; E402-F405 PolarHBondContact O-N 3.28Å
403K79.5Confident70Confident120 Ų12080.5 Ų80.552%0.52243%0.429SS..G310 helixtrans-61.2-28.2-169.8-67.9-175.1178.3-176.70112.8Y401 F405 A406Y401-K403 PolarHBondContact O-N 3.06Å; K403-F405 PolarHBondContact O-N 3.41Å; K403-F405 VanDerWaalsContact O-N 3.16Å; K403-A406 WeakPolarHBondContact O-CB 3.41Å; K403-A406 PolarHBondContact O-N 2.84Å
404K77.2Confident67.4Low95 Ų9585.8 Ų85.841%0.41345%0.449SS..G310 helixtrans-60.6-22.4177.9-63.6-176.1-172.7-178.60112.9Y110 L111 Y337 E402Y110-K404 WeakPolarHBondContact OH-CD 3.37Å; Y110-K404 WeakPolarHBondContact OH-CE 3.32Å; Y110-K404 PolarHBondContact OH-NZ 3.45Å; L111-K404 HydrophobicContact CD1-CB 4.05Å; L111-K404 HydrophobicContact CD1-CD 4.01Å; Y337-K404 PolarHBondContact O-NZ 3.03Å; Y337-K404 VanDerWaalsContact O-NZ 3.12Å; E402-K404 HydrophobicContact CG-CB 4.39Å; E402-K404 PolarHBondContact O-N 2.96Å; E402-K404 VanDerWaalsContact O-N 3.12Å
405F71Confident64.4Low17 Ų1789.4 Ų89.48%0.07548%0.477CS..G310 helixtrans-87-22.3173-59.8-70.9000113.7L111 R399 E402 K403 G407 I440 L442L111-F405 HydrophobicContact CD2-CE1 3.9Å; L111-F405 HydrophobicContact CD2-CZ 3.65Å; R399-F405 HydrophobicContact CG-CE2 3.87Å; R399-F405 HydrophobicContact CG-CZ 4.21Å; R399-F405 WeakPolarHBondContact O-CD2 3.37Å; E402-F405 HydrophobicContact CB-CD2 3.79Å; E402-F405 HydrophobicContact CB-CE2 3.94Å; E402-F405 HydrophobicContact CG-CD2 4.17Å; E402-F405 HydrophobicContact CG-CE2 4.14Å; E402-F405 PolarHBondContact O-N 3.28Å; K403-F405 PolarHBondContact O-N 3.41Å; K403-F405 VanDerWaalsContact O-N 3.16Å; F405-G407 PolarHBondContact O-N 3.49Å; F405-I440 HydrophobicContact CD1-CD1 3.79Å; F405-I440 HydrophobicContact CD1-CG2 3.94Å; F405-I440 HydrophobicContact CE1-CD1 4.16Å; F405-I440 HydrophobicContact CE1-CG2 3.68Å; F405-L442 WeakPolarHBondContact CE1-O 3.15Å
406A57.7Low61.6Low90 Ų9094.1 Ų94.174%0.74451%0.51SS*.THydrogen-bonded Turntrans-73.5-7.6-175.200000114K403K403-A406 WeakPolarHBondContact O-CB 3.41Å; K403-A406 PolarHBondContact O-N 2.84Å
407G46.7Very low59Low69 Ų6999.7 Ų99.771%0.71154%0.543SS*.THydrogen-bonded Turntrans-97.34-178.900000115.9F405F405-G407 PolarHBondContact O-N 3.49Å
408L41.2Very low56.3Low91 Ų91108.3 Ų108.348%0.47658%0.578SS.*SBendtrans-113.9124.4-179.4-79.7143.2000110.3I440L408-I440 HydrophobicContact CD1-CB 4.02Å; L408-I440 HydrophobicContact CD1-CD1 3.18Å; L408-I440 HydrophobicContact CD1-CG1 3.44Å; L408-I440 VanDerWaalsContact CD1-CG1 3.44Å
409P31.6Very low53.6Low108 Ų108111.6 Ų111.670%0.70160%0.603SS**  trans-61.1150.6175.324.2-30.4000110.2L411P409-L411 PolarHBondContact O-N 3.14Å
410P39.9Very low50.8Low124 Ų124116.9 Ų116.981%0.80564%0.636SS**  trans-57.8132.8178.2-15.427.3000110L412P410-L412 PolarHBondContact O-N 3.01Å
411L42Very low48.1Very low142 Ų142121.1 Ų121.174%0.74366%0.659SS**  trans-59.7111.3170.1-76.9164.3000108.8P409 R413 M439P409-L411 PolarHBondContact O-N 3.14Å; L411-R413 PolarHBondContact O-N 2.63Å; L411-M439 HydrophobicContact CD2-SD 4.29Å
412L35.3Very low45.7Very low168 Ų168121.2 Ų121.288%0.8867%0.669SS**  trans-59.8108.2167.2-80.3161.3000108P410 K414P410-L412 PolarHBondContact O-N 3.01Å; L412-K414 PolarHBondContact O-N 3.31Å
413R35Very low43.3Very low222 Ų222125.8 Ų125.884%0.83870%0.698SS**  trans-57.2112164.1-104179.8173.1163.7-1.7107L411 T415L411-R413 PolarHBondContact O-N 2.63Å; R413-T415 PolarHBondContact O-N 2.87Å
414K37.4Very low41.1Very low209 Ų209127.2 Ų127.291%0.90971%0.712SS**  trans-60.7102.7165.7-79-175.8176-178.50108.2L412L412-K414 PolarHBondContact O-N 3.31Å
415T29.3Very low39.1Very low130 Ų130130.1 Ų130.180%0.79873%0.732SS**  trans-82.2112.715847.90000107.7R413R413-T415 PolarHBondContact O-N 2.87Å
416S35.3Very low37.3Very low99 Ų99137 Ų13769%0.69277%0.769SS**  trans-148.393.3149.768.50000107.2
417T36.2Very low36.3Very low137 Ų137137.8 Ų137.884%0.8477%0.77SS**  58114.499.453.20000113.6
418K36.6Very low35.6Very low196 Ų196142.7 Ų142.785%0.85278%0.778SS**  trans-53.2147171.5-79.1174.2170.7178.90113.1
419S34.6Very low35.2Very low101 Ų101146.2 Ų146.271%0.70679%0.792SS**  trans86.7124.1137-65.50000120.8
420T35.1Very low35Very low116 Ų116147.1 Ų147.171%0.71280%0.796SS**  trans86.4105.5139.550.80000120.5
421N34.1Very low34.6Very low143 Ų143147.6 Ų147.677%0.76580%0.796SS**  89.4129.2121.6-73.1-3000120.7
422L37.1Very low34.2Very low149 Ų149149.9 Ų149.978%0.7880%0.803SS**  trans100.6104145.6-65.2142.3000118.7
423T36.4Very low34Very low115 Ų115149.8 Ų149.871%0.70680%0.803SS**  68.1117.4129.456.60000121.1
424N32.9Very low34.1Very low151 Ų151144.6 Ų144.681%0.80780%0.801SS**  trans36.9112.3138.5-63.5-4.4000118.2
425D36.3Very low34.1Very low156 Ų156142.6 Ų142.683%0.83480%0.8SS**  -166.8149.6103.7-117.9-28.8000113.8
426N33.4Very low35.1Very low160 Ų160140.2 Ų140.286%0.85680%0.801SS**  trans-69.9123.4-178.9-71.8-55.6000111.7
427S36.6Very low36.3Very low107 Ų107144.7 Ų144.775%0.74881%0.808SS**  trans-151.7121.8150.853.40000111.3Q429S427-Q429 PolarHBondContact O-N 3.36Å
428I31.9Very low37.7Very low172 Ų172143 Ų14388%0.88280%0.799SS**  trans-71114.2174.1-69156.5000107.7
429Q32.3Very low39.7Very low165 Ų165139.3 Ų139.377%0.77179%0.786SS**  trans-136103.9163-80.4-174.21.800110.2S427 T431S427-Q429 PolarHBondContact O-N 3.36Å; Q429-T431 PolarHBondContact O-N 3.22Å
430T28.2Very low42.1Very low128 Ų128136 Ų13679%0.78576%0.76SS**  trans11.1104140.148.40000116.2
431T31.1Very low44.7Very low134 Ų134132.5 Ų132.582%0.82274%0.744SS**  trans-90.9106.7162.629.40000109.1Q429 L433Q429-T431 PolarHBondContact O-N 3.22Å; T431-L433 PolarHBondContact O-N 2.78Å
432E32.6Very low47.3Very low189 Ų189126.6 Ų126.688%0.88371%0.712SS**  trans-55126.1170.8-65.6-178.7148.300110.8S434E432-S434 PolarHBondContact O-N 3.4Å; E432-S434 VanDerWaalsContact O-N 3.14Å
433L32.2Very low49.9Very low167 Ų167122.4 Ų122.487%0.87470%0.695SS**  trans-65.3108.5170.6-80.489000109.2T431 N435T431-L433 PolarHBondContact O-N 2.78Å; L433-N435 PolarHBondContact O-N 3.33Å; L433-N435 VanDerWaalsContact O-N 3.12Å
434S36.9Very low52.5Low113 Ų113118.6 Ų118.679%0.7967%0.673SS**  trans-62.7114166.564.10000109.2E432 G436E432-S434 PolarHBondContact O-N 3.4Å; E432-S434 VanDerWaalsContact O-N 3.14Å; S434-G436 PolarHBondContact O-N 3.12Å; S434-G436 VanDerWaalsContact O-N 3.07Å
435N38.2Very low55.3Low167 Ų167116 Ų11689%0.89366%0.663SS**  trans-40.3110.9174.8-96-28.9000112.6L433 K437L433-N435 PolarHBondContact O-N 3.33Å; L433-N435 VanDerWaalsContact O-N 3.12Å; N435-K437 PolarHBondContact O-N 3.39Å
436G49.4Very low58Low79 Ų79110.3 Ų110.381%0.81463%0.631SS**  trans-7588.2-166.100000114.7S434S434-G436 PolarHBondContact O-N 3.12Å; S434-G436 VanDerWaalsContact O-N 3.07Å
437K59.7Low60.7Low193 Ų193106.4 Ų106.484%0.83961%0.61SS**PPolyproline II helixtrans-78.4136.7160.2-77.8-178.2178.9175.40110N435 M439N435-K437 PolarHBondContact O-N 3.39Å; K437-M439 PolarHBondContact O-N 3.08Å; K437-M439 VanDerWaalsContact O-N 3.13Å
438P65.2Low63.5Low101 Ų101101.4 Ų101.466%0.65657%0.574SS**PPolyproline II helixtrans-56.4118.9174.417.6-27.3000110.5T112T112-P438 HydrophobicContact CG2-CB 3.48Å; T112-P438 VanDerWaalsContact CG2-CB 3.48Å
439M79.6Confident66.6Low119 Ų11993.6 Ų93.659%0.58654%0.535SS*.PPolyproline II helixtrans-84.4135.7177.8-169.1175.673.700109.6L411 K437 A441L411-M439 HydrophobicContact CD2-SD 4.29Å; K437-M439 PolarHBondContact O-N 3.08Å; K437-M439 VanDerWaalsContact O-N 3.13Å; M439-A441 PolarHBondContact O-N 3.03Å
440I85.3Confident69.6Low31 Ų3189 Ų8916%0.15952%0.518CS..PPolyproline II helixtrans-61.7123.9171.5-65-171.6000108.8L111 F405 L408 L442L111-I440 HydrophobicContact CB-CG1 4.29Å; L111-I440 HydrophobicContact CD1-CD1 4.29Å; L111-I440 WeakPolarHBondContact O-CA 3.32Å; F405-I440 HydrophobicContact CD1-CD1 3.79Å; F405-I440 HydrophobicContact CD1-CG2 3.94Å; F405-I440 HydrophobicContact CE1-CD1 4.16Å; F405-I440 HydrophobicContact CE1-CG2 3.68Å; L408-I440 HydrophobicContact CD1-CB 4.02Å; L408-I440 HydrophobicContact CD1-CD1 3.18Å; L408-I440 HydrophobicContact CD1-CG1 3.44Å; L408-I440 VanDerWaalsContact CD1-CG1 3.44Å; I440-L442 WeakPolarHBondContact CG2-O 3.35Å
441A88.8Confident72.9Confident44 Ų4484.1 Ų84.136%0.36449%0.489SS..SBendtrans-78.9-33.4-176.100000113.3L111 T112 D114 M439L111-A441 PolarHBondContact O-N 3.5Å; T112-A441 WeakPolarHBondContact O-CB 3.5Å; D114-A441 HydrophobicContact CB-CB 4.29Å; M439-A441 PolarHBondContact O-N 3.03Å
442L90.1Very high76Confident18 Ų1877.8 Ų77.89%0.09445%0.45CS..SBendtrans-119124.5-176.3-59.2179000110.1E115 I118 R399 F405 I440 H446 F448E115-L442 HydrophobicContact CG-CD1 4.28Å; E115-L442 HydrophobicContact CG-CD2 4.36Å; I118-L442 HydrophobicContact CD1-CD1 3.74Å; R399-L442 VanDerWaalsContact NH2-C 3.3Å; R399-L442 PolarHBondContact NH2-O 3.5Å; F405-L442 WeakPolarHBondContact CE1-O 3.15Å; I440-L442 WeakPolarHBondContact CG2-O 3.35Å; L442-H446 HydrophobicContact CB-CB 4.19Å; L442-F448 HydrophobicContact CD1-CE1 3.83Å; L442-F448 HydrophobicContact CD1-CE2 4.45Å; L442-F448 HydrophobicContact CD1-CZ 3.5Å; L442-F448 VanDerWaalsContact CD1-CZ 3.5Å
443S90.2Very high79.1Confident62 Ų6268.8 Ų68.843%0.43441%0.408SS..  trans-64.1166.1-179.367.60000113R399 T445 H446R399-S443 PolarHBondContact NE-O 2.84Å; R399-S443 PolarHBondContact NH2-O 3.1Å; S443-T445 PolarHBondContact O-N 3.3Å; S443-T445 PolarHBondContact OG-N 3.02Å; S443-T445 PolarHBondContact OG-OG1 3.47Å; S443-H446 VanDerWaalsContact O-CB 3.29Å; S443-H446 WeakPolarHBondContact O-CB 3.2Å; S443-H446 PolarHBondContact O-N 3.28Å; S443-H446 VanDerWaalsContact O-N 3.15Å; S443-H446 PolarHBondContact OG-N 3.45Å
444S90.8Very high82.3Confident35 Ų3562.8 Ų62.825%0.24538%0.377CS..THydrogen-bonded Turntrans-60-26.2171.451.50000113.3R399R399-S444 WeakPolarHBondContact CG-O 3.44Å
445T91.7Very high85.2Confident96 Ų9657.4 Ų57.459%0.58934%0.339SS*.THydrogen-bonded Turntrans-92.30179.455.10000113.8L400 S443 I447L400-T445 HydrophobicContact CD1-CG2 4.05Å; S443-T445 PolarHBondContact O-N 3.3Å; S443-T445 PolarHBondContact OG-N 3.02Å; S443-T445 PolarHBondContact OG-OG1 3.47Å; T445-I447 PolarHBondContact O-N 3.01Å
446H93.2Very high88.1Confident36 Ų3649.4 Ų49.417%0.16730%0.297CS..  trans-63.5129178.3179.780.8000110.6E115 R399 L442 S443 F448E115-H446 IonicContact OE1-CE1 3.07Å; E115-H446 PolarHBondContact OE1-CE1 3.43Å; E115-H446 IonicContact OE1-NE2 3.27Å; E115-H446 PolarHBondContact OE1-NE2 3.42Å; R399-H446 WeakPolarHBondContact CD-O 3.45Å; L442-H446 HydrophobicContact CB-CB 4.19Å; S443-H446 VanDerWaalsContact O-CB 3.29Å; S443-H446 WeakPolarHBondContact O-CB 3.2Å; S443-H446 PolarHBondContact O-N 3.28Å; S443-H446 VanDerWaalsContact O-N 3.15Å; S443-H446 PolarHBondContact OG-N 3.45Å; H446-F448 AromaticContact CD2-CD2 3.74Å; H446-F448 AromaticContact CD2-CE2 3.62Å; H446-F448 AromaticContact CD2-CZ 3.86Å; H446-F448 AromaticContact NE2-CD1 3.86Å; H446-F448 AromaticContact NE2-CE1 3.96Å; H446-F448 AromaticContact NE2-CG 3.97Å
447I91.2Very high90.4Very high79 Ų7946 Ų4641%0.40526%0.26SS..  trans-110.4116.6178.9-60.2171.8000107.8T445 I492T445-I447 PolarHBondContact O-N 3.01Å; I447-I492 HydrophobicContact CD1-CD1 4.25Å
448F95.4Very high92.2Very high2 Ų242.5 Ų42.51%0.00924%0.242CC..  trans-70.6156.5176.1-71.3-92.3000111.4E115 I118 L333 L442 H446 A452 Y453E115-F448 HydrophobicContact CG-CD1 4.05Å; E115-F448 HydrophobicContact CG-CE1 3.92Å; I118-F448 HydrophobicContact CD1-CE1 3.88Å; I118-F448 HydrophobicContact CD1-CZ 4.05Å; L333-F448 HydrophobicContact CB-CD2 4.43Å; L333-F448 HydrophobicContact CB-CE2 4.36Å; L333-F448 HydrophobicContact CD2-CB 4.01Å; L333-F448 HydrophobicContact CD2-CD1 3.48Å; L333-F448 VanDerWaalsContact CD2-CD1 3.48Å; L333-F448 HydrophobicContact CD2-CD2 3.58Å; L333-F448 HydrophobicContact CD2-CE1 3.71Å; L333-F448 HydrophobicContact CD2-CE2 3.82Å; L333-F448 HydrophobicContact CD2-CG 3.39Å; L333-F448 HydrophobicContact CD2-CZ 3.87Å; L333-F448 WeakPolarHBondContact O-CE2 3.44Å; L442-F448 HydrophobicContact CD1-CE1 3.83Å; L442-F448 HydrophobicContact CD1-CE2 4.45Å; L442-F448 HydrophobicContact CD1-CZ 3.5Å; L442-F448 VanDerWaalsContact CD1-CZ 3.5Å; H446-F448 AromaticContact CD2-CD2 3.74Å; H446-F448 AromaticContact CD2-CE2 3.62Å; H446-F448 AromaticContact CD2-CZ 3.86Å; H446-F448 AromaticContact NE2-CD1 3.86Å; H446-F448 AromaticContact NE2-CE1 3.96Å; H446-F448 AromaticContact NE2-CG 3.97Å; F448-A452 HydrophobicContact CB-CB 3.97Å; F448-Y453 HydrophobicContact CB-CE2 3.94Å; F448-Y453 WeakPolarHBondContact O-CE2 3.29Å
449P95.5Very high93.8Very high7 Ų737.7 Ų37.75%0.04521%0.211CC..  trans-58.9147.9174.424.4-35.3000111.5E115 S451 A452 Y478E115-P449 WeakPolarHBondContact OE2-CD 3.39Å; P449-S451 PolarHBondContact O-N 3.27Å; P449-A452 HydrophobicContact CG-CB 4.32Å; P449-A452 VanDerWaalsContact O-CB 3.23Å; P449-A452 WeakPolarHBondContact O-CB 3.28Å; P449-A452 PolarHBondContact O-N 3.41Å; P449-Y478 HydrophobicContact CG-CD2 4.26Å; P449-Y478 HydrophobicContact CG-CE2 4.11Å
450T95.8Very high94.7Very high70 Ų7032 Ų3243%0.42918%0.183SC..Hα-helixtrans-54.6-31.1178.4-57.30000112.7V388 A452 Y453 D454V388-T450 HydrophobicContact CG1-CG2 3.86Å; T450-A452 VanDerWaalsContact C-N 3.25Å; T450-A452 PolarHBondContact O-N 3.14Å; T450-Y453 PolarHBondContact O-N 2.66Å; T450-Y453 VanDerWaalsContact O-N 3.15Å; T450-D454 PolarHBondContact O-N 3.45Å
451S97.2Very high95.3Very high25 Ų2532.3 Ų32.318%0.17518%0.183CC..Hα-helixtrans-63.4-25.5175.155.40000113.9P449 L455 H476P449-S451 PolarHBondContact O-N 3.27Å; S451-L455 PolarHBondContact O-N 2.92Å; S451-H476 PolarHBondContact O-CE1 3.31Å; S451-H476 VanDerWaalsContact O-CE1 3.25Å
452A97.9Very high95.7Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-65.9-44.817200000111F329 L333 F448 P449 T450 L455 L456 Y478F329-A452 VanDerWaalsContact CE1-O 3.29Å; F329-A452 WeakPolarHBondContact CE1-O 3.48Å; F329-A452 HydrophobicContact CZ-CB 4.04Å; L333-A452 HydrophobicContact CD2-CB 4.12Å; F448-A452 HydrophobicContact CB-CB 3.97Å; P449-A452 HydrophobicContact CG-CB 4.32Å; P449-A452 VanDerWaalsContact O-CB 3.23Å; P449-A452 WeakPolarHBondContact O-CB 3.28Å; P449-A452 PolarHBondContact O-N 3.41Å; T450-A452 VanDerWaalsContact C-N 3.25Å; T450-A452 PolarHBondContact O-N 3.14Å; A452-L455 PolarHBondContact O-N 3.26Å; A452-L456 WeakPolarHBondContact O-CB 3.27Å; A452-L456 PolarHBondContact O-N 2.9Å; A452-Y478 HydrophobicContact CB-CD2 3.68Å; A452-Y478 HydrophobicContact CB-CE2 3.51Å
453Y97.7Very high96.1Very high1 Ų129.9 Ų29.90%0.00417%0.165CC..Hα-helixtrans-73.2-29178.8-55.8-71.3000112.4L333 K392 C395 S396 F448 T450 L456 A457L333-Y453 HydrophobicContact CD1-CD1 4.33Å; L333-Y453 HydrophobicContact CD1-CE1 4.35Å; K392-Y453 HydrophobicContact CB-CD1 4.04Å; K392-Y453 HydrophobicContact CB-CD2 3.73Å; K392-Y453 HydrophobicContact CB-CE1 4.37Å; K392-Y453 HydrophobicContact CB-CE2 4.08Å; K392-Y453 HydrophobicContact CB-CG 3.69Å; K392-Y453 HydrophobicContact CD-CD2 3.88Å; K392-Y453 HydrophobicContact CD-CE2 3.99Å; K392-Y453 HydrophobicContact CG-CD2 3.65Å; K392-Y453 HydrophobicContact CG-CE1 4.48Å; K392-Y453 HydrophobicContact CG-CE2 3.57Å; K392-Y453 HydrophobicContact CG-CG 4.13Å; C395-Y453 HydrophobicContact CB-CD1 4.42Å; C395-Y453 HydrophobicContact CB-CE1 3.77Å; S396-Y453 PolarHBondContact OG-OH 2.98Å; F448-Y453 HydrophobicContact CB-CE2 3.94Å; F448-Y453 WeakPolarHBondContact O-CE2 3.29Å; T450-Y453 PolarHBondContact O-N 2.66Å; T450-Y453 VanDerWaalsContact O-N 3.15Å; Y453-L456 PolarHBondContact O-N 2.94Å; Y453-A457 WeakPolarHBondContact O-CB 3.34Å; Y453-A457 PolarHBondContact O-N 3.02Å
454D97.9Very high96.4Very high40 Ų4027.4 Ų27.421%0.21415%0.147CC..Hα-helixtrans-65.1-47.3170.8-170.562.7000111.1V388 T450 L456 A457 R458 H476V388-D454 HydrophobicContact CG1-CB 4.27Å; V388-D454 HydrophobicContact CG2-CB 4.15Å; V388-D454 WeakPolarHBondContact CG2-OD1 3.48Å; T450-D454 PolarHBondContact O-N 3.45Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-L456 PolarHBondContact O-N 2.93Å; D454-A457 PolarHBondContact O-N 3.35Å; D454-R458 WeakPolarHBondContact O-CG 3.34Å; D454-R458 PolarHBondContact O-N 2.92Å; D454-R458 VanDerWaalsContact O-N 3.14Å; D454-R458 IonicContact OD1-NE 3.72Å; D454-R458 IonicContact OD1-NH2 2.85Å; D454-R458 IonicContact OD2-CZ 3.48Å; D454-R458 IonicContact OD2-NE 3.36Å; D454-R458 PolarHBondContact OD2-NE 3.13Å; D454-R458 IonicContact OD2-NH2 3.84Å; D454-R458 PolarHBondContact OD2-NH2 3.48Å; D454-H476 IonicContact OD2-CE1 3.46Å; D454-H476 IonicContact OD2-NE2 3.76Å; D454-H476 PolarHBondContact OD2-NE2 3.42Å
455L98.5Very high96.6Very high0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-58.7-46.4174.2179.658.1000110.9F329 S451 A452 A457 R458 L459 A473 H476 Y478 F479F329-L455 HydrophobicContact CD1-CD2 4.49Å; F329-L455 HydrophobicContact CE1-CB 4.13Å; F329-L455 HydrophobicContact CE1-CD2 3.9Å; F329-L455 HydrophobicContact CE1-CG 4.08Å; F329-L455 HydrophobicContact CZ-CD2 4.39Å; S451-L455 PolarHBondContact O-N 2.92Å; A452-L455 PolarHBondContact O-N 3.26Å; L455-A457 VanDerWaalsContact C-N 3.33Å; L455-A457 PolarHBondContact O-N 2.8Å; L455-R458 PolarHBondContact O-N 2.88Å; L455-L459 HydrophobicContact CD1-CD1 4.2Å; L455-L459 HydrophobicContact CD1-CG 4.12Å; L455-L459 HydrophobicContact CG-CD1 3.89Å; L455-L459 HydrophobicContact CG-CG 4.29Å; L455-L459 VanDerWaalsContact O-CG 3.3Å; L455-L459 WeakPolarHBondContact O-CG 3.41Å; L455-L459 PolarHBondContact O-N 2.91Å; L455-A473 HydrophobicContact CD1-CB 4.16Å; L455-H476 HydrophobicContact CD1-CB 4.11Å; L455-H476 PolarHBondContact N-CE1 3.19Å; L455-Y478 HydrophobicContact CD2-CD1 3.61Å; L455-Y478 HydrophobicContact CD2-CE1 4.42Å; L455-Y478 HydrophobicContact CD2-CG 4.19Å; L455-F479 HydrophobicContact CD2-CE2 3.69Å; L455-F479 HydrophobicContact CD2-CZ 3.92Å
456L98.5Very high96.9Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-58.3-44.5178-177.968.6000112G326 F329 I330 L333 L391 A452 Y453 D454 R458 L459 L460G326-L456 WeakPolarHBondContact O-CD1 3.14Å; F329-L456 HydrophobicContact CB-CD1 4.29Å; F329-L456 HydrophobicContact CD1-CB 4.12Å; F329-L456 HydrophobicContact CD1-CD1 4.12Å; F329-L456 HydrophobicContact CE1-CB 4.35Å; I330-L456 HydrophobicContact CB-CD1 3.9Å; I330-L456 HydrophobicContact CB-CD2 4.3Å; I330-L456 HydrophobicContact CD1-CD2 4.18Å; I330-L456 HydrophobicContact CG1-CD2 4.14Å; L333-L456 HydrophobicContact CD1-CB 4.25Å; L333-L456 HydrophobicContact CD1-CD2 3.92Å; L333-L456 HydrophobicContact CD1-CG 4.47Å; L391-L456 HydrophobicContact CB-CD2 4.42Å; L391-L456 HydrophobicContact CD1-CD2 4.29Å; L391-L456 HydrophobicContact CD1-CG 4.31Å; A452-L456 WeakPolarHBondContact O-CB 3.27Å; A452-L456 PolarHBondContact O-N 2.9Å; Y453-L456 PolarHBondContact O-N 2.94Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-L456 PolarHBondContact O-N 2.93Å; L456-R458 PolarHBondContact O-N 2.07Å; L456-L459 PolarHBondContact O-N 3.2Å; L456-L460 HydrophobicContact CD1-CD1 3.73Å; L456-L460 HydrophobicContact CD1-CG 3.99Å; L456-L460 HydrophobicContact CG-CD1 4.03Å; L456-L460 HydrophobicContact CG-CG 4.42Å; L456-L460 WeakPolarHBondContact O-CB 3.37Å; L456-L460 PolarHBondContact O-N 3.08Å
457A98Very high97.1Very high6 Ų633.3 Ų33.35%0.0516%0.162CC..Hα-helixtrans-61.6-34.2179.600000112.7P387 V388 L391 Y453 D454 L455 L460 E461P387-A457 HydrophobicContact CB-CB 4.17Å; V388-A457 HydrophobicContact CG2-CB 4.36Å; L391-A457 HydrophobicContact CD1-CB 3.86Å; Y453-A457 WeakPolarHBondContact O-CB 3.34Å; Y453-A457 PolarHBondContact O-N 3.02Å; D454-A457 PolarHBondContact O-N 3.35Å; L455-A457 VanDerWaalsContact C-N 3.33Å; L455-A457 PolarHBondContact O-N 2.8Å; A457-L460 CarbonylContact O-C 3.09Å; A457-E461 PolarHBondContact O-N 3.35Å
458R98.4Very high97.5Very high120 Ų12030.5 Ų30.545%0.45315%0.147SC..Hα-helixtrans-78.3-34.7177.5-66.2173.8-171.9-89.1-3.1113.1D454 L455 L456 I468D454-R458 WeakPolarHBondContact O-CG 3.34Å; D454-R458 PolarHBondContact O-N 2.92Å; D454-R458 VanDerWaalsContact O-N 3.14Å; D454-R458 IonicContact OD1-NE 3.72Å; D454-R458 IonicContact OD1-NH2 2.85Å; D454-R458 IonicContact OD2-CZ 3.48Å; D454-R458 IonicContact OD2-NE 3.36Å; D454-R458 PolarHBondContact OD2-NE 3.13Å; D454-R458 IonicContact OD2-NH2 3.84Å; D454-R458 PolarHBondContact OD2-NH2 3.48Å; L455-R458 PolarHBondContact O-N 2.88Å; L456-R458 PolarHBondContact O-N 2.07Å; R458-I468 HydrophobicContact CB-CB 3.99Å; R458-I468 HydrophobicContact CB-CD1 4.38Å; R458-I468 HydrophobicContact CB-CG2 3.92Å; R458-I468 PolarHBondContact O-N 2.89Å
459L98.7Very high97.6Very high0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-68.7-41.1173.3-68.2169.9000111.2M122 I322 V325 F329 L455 L456 E461 R467 I468M122-L459 HydrophobicContact CE-CD1 4.29Å; I322-L459 HydrophobicContact CG2-CD2 3.44Å; I322-L459 VanDerWaalsContact CG2-CD2 3.44Å; V325-L459 HydrophobicContact CB-CD2 4.35Å; V325-L459 HydrophobicContact CG1-CD1 4.12Å; V325-L459 HydrophobicContact CG1-CD2 4.08Å; F329-L459 HydrophobicContact CB-CD1 4.42Å; F329-L459 HydrophobicContact CD1-CD1 3.98Å; L455-L459 HydrophobicContact CD1-CD1 4.2Å; L455-L459 HydrophobicContact CD1-CG 4.12Å; L455-L459 HydrophobicContact CG-CD1 3.89Å; L455-L459 HydrophobicContact CG-CG 4.29Å; L455-L459 VanDerWaalsContact O-CG 3.3Å; L455-L459 WeakPolarHBondContact O-CG 3.41Å; L455-L459 PolarHBondContact O-N 2.91Å; L456-L459 PolarHBondContact O-N 3.2Å; L459-E461 VanDerWaalsContact C-N 3.3Å; L459-E461 PolarHBondContact O-N 2.9Å; L459-R467 VanDerWaalsContact O-CD 3.32Å; L459-R467 WeakPolarHBondContact O-CD 3.38Å; L459-R467 WeakPolarHBondContact O-CG 3.38Å; L459-I468 HydrophobicContact CD2-CG2 3.85Å; L459-I468 HydrophobicContact CG-CG2 4.33Å
460L98.2Very high97.8Very high0 Ų033.3 Ų33.30%017%0.165CC..THydrogen-bonded Turntrans-92.828.5178.4-59.2-174.4000113.2W323 I327 I330 I356 L456 A457 P462W323-L460 HydrophobicContact CD2-CD2 4.17Å; W323-L460 HydrophobicContact CE3-CD2 4.28Å; W323-L460 HydrophobicContact CZ3-CB 4.35Å; I327-L460 HydrophobicContact CD1-CD2 3.67Å; I330-L460 HydrophobicContact CD1-CD1 4.46Å; I356-L460 HydrophobicContact CD1-CB 4.06Å; L456-L460 HydrophobicContact CD1-CD1 3.73Å; L456-L460 HydrophobicContact CD1-CG 3.99Å; L456-L460 HydrophobicContact CG-CD1 4.03Å; L456-L460 HydrophobicContact CG-CG 4.42Å; L456-L460 WeakPolarHBondContact O-CB 3.37Å; L456-L460 PolarHBondContact O-N 3.08Å; A457-L460 CarbonylContact O-C 3.09Å; L460-P462 VanDerWaalsContact O-CD 3.23Å; L460-P462 WeakPolarHBondContact O-CD 3.26Å
461E97.9Very high97.9Very high37 Ų3734.9 Ų34.917%0.17317%0.167CC..  trans-69.7118.8174.2175.945.1-12600109.8R360 A457 L459 C463 K466 R467R360-E461 IonicContact CZ-OE2 3.74Å; R360-E461 IonicContact NH2-OE2 2.71Å; R360-E461 PolarHBondContact NH2-OE2 3.2Å; A457-E461 PolarHBondContact O-N 3.35Å; L459-E461 VanDerWaalsContact C-N 3.3Å; L459-E461 PolarHBondContact O-N 2.9Å; E461-C463 VanDerWaalsContact C-N 3.3Å; E461-C463 PolarHBondContact O-N 3.15Å; E461-C463 WeakPolarHBondContact OE1-CB 3.32Å; E461-C463 PolarHBondContact OE1-N 2.97Å; E461-K466 HydrophobicContact CG-CB 3.78Å; E461-R467 HydrophobicContact CB-CB 4.16Å; E461-R467 HydrophobicContact CB-CG 4.26Å; E461-R467 PolarHBondContact O-NE 2.93Å; E461-R467 PolarHBondContact O-NH2 3.38Å; E461-R467 VanDerWaalsContact O-NH2 3.16Å
462P97.3Very high97.9Very high1 Ų138 Ų381%0.00618%0.182CC..SBendtrans-64.1-29.5-176.8-27.538.5000114.4I356 R360 M361 L460 P464I356-P462 HydrophobicContact CG2-CG 3.91Å; R360-P462 HydrophobicContact CB-CG 4.38Å; M361-P462 HydrophobicContact SD-CB 3.97Å; M361-P462 HydrophobicContact SD-CG 4.29Å; L460-P462 VanDerWaalsContact O-CD 3.23Å; L460-P462 WeakPolarHBondContact O-CD 3.26Å; P462-P464 WeakPolarHBondContact O-CD 3.23Å
463C97.3Very high98Very high11 Ų1138 Ų387%0.07418%0.182CC..SBendtrans-81112175-179.80000110.1S367 E461 Q465 K466 R467S367-C463 VanDerWaalsContact CB-SG 3.6Å; S367-C463 PolarHBondContact OG-SG 3.45Å; S367-C463 VanDerWaalsContact OG-SG 3.35Å; E461-C463 VanDerWaalsContact C-N 3.3Å; E461-C463 PolarHBondContact O-N 3.15Å; E461-C463 WeakPolarHBondContact OE1-CB 3.32Å; E461-C463 PolarHBondContact OE1-N 2.97Å; C463-Q465 PolarHBondContact O-N 2.79Å; C463-Q465 VanDerWaalsContact O-N 3.17Å; C463-Q465 PolarHBondContact SG-OE1 2.68Å; C463-Q465 VanDerWaalsContact SG-OE1 3.39Å; C463-K466 HydrophobicContact CB-CB 4.14Å; C463-K466 HydrophobicContact CB-CD 4.16Å; C463-K466 HydrophobicContact CB-CG 4.22Å; C463-K466 PolarHBondContact O-N 3.25Å; C463-R467 PolarHBondContact O-N 2.97Å; C463-R467 VanDerWaalsContact O-N 3.12Å
464P96.8Very high98Very high9 Ų939.4 Ų39.46%0.05819%0.189CC..THydrogen-bonded Turntrans-61.7-29.8-17421.8-30000113.1E308 A319 I368 P462 K466 R467E308-P464 HydrophobicContact CB-CG 4.42Å; E308-P464 HydrophobicContact CG-CB 4.45Å; E308-P464 HydrophobicContact CG-CG 4.34Å; A319-P464 HydrophobicContact CB-CB 4.1Å; I368-P464 HydrophobicContact CG2-CG 3.95Å; P462-P464 WeakPolarHBondContact O-CD 3.23Å; P464-K466 VanDerWaalsContact C-N 3.31Å; P464-K466 PolarHBondContact O-N 2.89Å; P464-R467 PolarHBondContact O-N 3.28Å
465Q96Very high97.9Very high120 Ų12043.5 Ų43.556%0.56121%0.207SC*.THydrogen-bonded Turntrans-72.8-21.4177.4-62.777.513.300113.5C463C463-Q465 PolarHBondContact O-N 2.79Å; C463-Q465 VanDerWaalsContact O-N 3.17Å; C463-Q465 PolarHBondContact SG-OE1 2.68Å; C463-Q465 VanDerWaalsContact SG-OE1 3.39Å
466K97.5Very high97.9Very high159 Ų15944 Ų4469%0.69121%0.209SC*.THydrogen-bonded Turntrans-99-10.8177.6-65.4-178.9-179.5-179.10112.9E461 C463 P464E461-K466 HydrophobicContact CG-CB 3.78Å; C463-K466 HydrophobicContact CB-CB 4.14Å; C463-K466 HydrophobicContact CB-CD 4.16Å; C463-K466 HydrophobicContact CB-CG 4.22Å; C463-K466 PolarHBondContact O-N 3.25Å; P464-K466 VanDerWaalsContact C-N 3.31Å; P464-K466 PolarHBondContact O-N 2.89Å
467R98.3Very high97.8Very high12 Ų1247.1 Ų47.15%0.04523%0.229CC..SBendtrans-65.3134.8179-163178.7-60.6144.25.9109.7E308 A319 I322 L459 E461 C463 P464E308-R467 IonicContact OE1-CZ 3.09Å; E308-R467 IonicContact OE1-NH1 2.65Å; E308-R467 PolarHBondContact OE1-NH1 2.93Å; E308-R467 IonicContact OE1-NH2 3.49Å; E308-R467 PolarHBondContact OE1-NH2 3Å; E308-R467 IonicContact OE2-CZ 3.42Å; E308-R467 IonicContact OE2-NH1 3.75Å; E308-R467 IonicContact OE2-NH2 3.78Å; E308-R467 PolarHBondContact OE2-NH2 3.45Å; A319-R467 VanDerWaalsContact C-NH1 3.26Å; A319-R467 HydrophobicContact CB-CB 4.42Å; A319-R467 WeakPolarHBondContact O-CD 3.42Å; A319-R467 PolarHBondContact O-NH1 3.44Å; I322-R467 HydrophobicContact CB-CG 4.34Å; I322-R467 HydrophobicContact CG2-CG 3.95Å; L459-R467 VanDerWaalsContact O-CD 3.32Å; L459-R467 WeakPolarHBondContact O-CD 3.38Å; L459-R467 WeakPolarHBondContact O-CG 3.38Å; E461-R467 HydrophobicContact CB-CB 4.16Å; E461-R467 HydrophobicContact CB-CG 4.26Å; E461-R467 PolarHBondContact O-NE 2.93Å; E461-R467 PolarHBondContact O-NH2 3.38Å; E461-R467 VanDerWaalsContact O-NH2 3.16Å; C463-R467 PolarHBondContact O-N 2.97Å; C463-R467 VanDerWaalsContact O-N 3.12Å; P464-R467 PolarHBondContact O-N 3.28Å
468I98.6Very high97.8Very high20 Ų2046.9 Ų46.910%0.10323%0.227CC..PPolyproline II helixtrans-57.8145.3-177.3-167.5168.9000111.1I322 R458 L459 D472 A473I322-I468 HydrophobicContact CG2-CG2 4.06Å; I322-I468 VanDerWaalsContact CG2-O 3.3Å; I322-I468 WeakPolarHBondContact CG2-O 3.29Å; R458-I468 HydrophobicContact CB-CB 3.99Å; R458-I468 HydrophobicContact CB-CD1 4.38Å; R458-I468 HydrophobicContact CB-CG2 3.92Å; R458-I468 PolarHBondContact O-N 2.89Å; L459-I468 HydrophobicContact CD2-CG2 3.85Å; L459-I468 HydrophobicContact CG-CG2 4.33Å; I468-D472 HydrophobicContact CD1-CB 4.15Å; I468-D472 HydrophobicContact CG1-CB 3.69Å; I468-A473 HydrophobicContact CD1-CB 3.9Å; I468-A473 HydrophobicContact CG1-CB 4.18Å; I468-A473 HydrophobicContact CG2-CB 4.29Å
469T98.7Very high97.7Very high66 Ų6641.7 Ų41.741%0.40521%0.208SC..PPolyproline II helixtrans-80.2159.9173.773.70000110.8Q471 D472 A473T469-Q471 PolarHBondContact O-N 3.26Å; T469-D472 PolarHBondContact O-N 3.42Å; T469-D472 PolarHBondContact OG1-N 2.96Å; T469-D472 VanDerWaalsContact OG1-N 3.08Å; T469-D472 PolarHBondContact OG1-OD2 3.02Å; T469-A473 VanDerWaalsContact O-CB 3.31Å; T469-A473 WeakPolarHBondContact O-CB 3.44Å; T469-A473 PolarHBondContact O-N 3.35Å
470A98.6Very high96.8Very high2 Ų245.9 Ų45.92%0.01724%0.237CC..Hα-helixtrans-57.3-39.6173.800000111.8L126 L129 A130 I322 A473 L474L126-A470 HydrophobicContact CD2-CB 4.45Å; L129-A470 HydrophobicContact CB-CB 4Å; A130-A470 HydrophobicContact CB-CB 3.99Å; I322-A470 HydrophobicContact CD1-CB 3.74Å; A470-A473 PolarHBondContact O-N 3.47Å; A470-L474 WeakPolarHBondContact O-CG 3.42Å; A470-L474 PolarHBondContact O-N 3.03Å
471Q98Very high95.1Very high103 Ų10350.3 Ų50.348%0.48126%0.26SS..Hα-helixtrans-64.4-46179.2-17464.423.400111.9T469 A473 L474 H475T469-Q471 PolarHBondContact O-N 3.26Å; Q471-A473 VanDerWaalsContact C-N 3.35Å; Q471-L474 PolarHBondContact O-N 2.96Å; Q471-H475 PolarHBondContact NE2-CE1 3.41Å; Q471-H475 PolarHBondContact O-ND1 3.12Å
472D98.2Very high93Very high91 Ų9153.9 Ų53.949%0.48728%0.28SS..Hα-helixtrans-69.4-36.7179.1-59.4-37.4000111.2I468 T469 L474 H475 H476I468-D472 HydrophobicContact CD1-CB 4.15Å; I468-D472 HydrophobicContact CG1-CB 3.69Å; T469-D472 PolarHBondContact O-N 3.42Å; T469-D472 PolarHBondContact OG1-N 2.96Å; T469-D472 VanDerWaalsContact OG1-N 3.08Å; T469-D472 PolarHBondContact OG1-OD2 3.02Å; D472-L474 VanDerWaalsContact C-N 3.28Å; D472-L474 PolarHBondContact O-N 3.41Å; D472-H475 PolarHBondContact O-N 3.37Å; D472-H475 VanDerWaalsContact O-N 3.1Å; D472-H476 PolarHBondContact O-N 3.39Å
473A98.5Very high90.7Very high0 Ų063.4 Ų63.40%032%0.322CS..Hα-helixtrans-61.6-34.6177.300000112.4L126 L455 I468 T469 A470 Q471 H475 H476 F479L126-A473 HydrophobicContact CD1-CB 3.74Å; L126-A473 HydrophobicContact CD2-CB 3.79Å; L126-A473 HydrophobicContact CG-CB 4.37Å; L455-A473 HydrophobicContact CD1-CB 4.16Å; I468-A473 HydrophobicContact CD1-CB 3.9Å; I468-A473 HydrophobicContact CG1-CB 4.18Å; I468-A473 HydrophobicContact CG2-CB 4.29Å; T469-A473 VanDerWaalsContact O-CB 3.31Å; T469-A473 WeakPolarHBondContact O-CB 3.44Å; T469-A473 PolarHBondContact O-N 3.35Å; A470-A473 PolarHBondContact O-N 3.47Å; Q471-A473 VanDerWaalsContact C-N 3.35Å; A473-H475 PolarHBondContact O-N 3.16Å; A473-H476 WeakPolarHBondContact O-CB 3.49Å; A473-H476 PolarHBondContact O-N 3.04Å; A473-H476 VanDerWaalsContact O-N 3.13Å; A473-F479 WeakPolarHBondContact O-CD2 3.45Å; A473-F479 WeakPolarHBondContact O-CE2 3.48Å
474L97.6Very high87.9Confident30 Ų3068.2 Ų68.216%0.15735%0.351CS..Hα-helixtrans-62.2-27.9175.3-74.8166.7000113.7R123 L126 A130 A470 Q471 D472R123-L474 HydrophobicContact CG-CD2 3.83Å; R123-L474 WeakPolarHBondContact O-CD2 3.12Å; L126-L474 HydrophobicContact CB-CD2 3.67Å; L126-L474 HydrophobicContact CB-CG 3.89Å; A130-L474 HydrophobicContact CB-CD1 3.93Å; A470-L474 WeakPolarHBondContact O-CG 3.42Å; A470-L474 PolarHBondContact O-N 3.03Å; Q471-L474 PolarHBondContact O-N 2.96Å; D472-L474 VanDerWaalsContact C-N 3.28Å; D472-L474 PolarHBondContact O-N 3.41Å
475H96.8Very high85.1Confident126 Ų12674.4 Ų74.458%0.58338%0.379SS*.THydrogen-bonded Turntrans-93.53.7179.3-6186.1000112.7Q471 D472 A473Q471-H475 PolarHBondContact NE2-CE1 3.41Å; Q471-H475 PolarHBondContact O-ND1 3.12Å; D472-H475 PolarHBondContact O-N 3.37Å; D472-H475 VanDerWaalsContact O-N 3.1Å; A473-H475 PolarHBondContact O-N 3.16Å
476H98Very high82.1Confident10 Ų1080.1 Ų80.15%0.04640%0.396CS..SBendtrans-66.4142.5-176.6-169.3-91000112.1S451 D454 L455 D472 A473 Y478 F479S451-H476 PolarHBondContact O-CE1 3.31Å; S451-H476 VanDerWaalsContact O-CE1 3.25Å; D454-H476 IonicContact OD2-CE1 3.46Å; D454-H476 IonicContact OD2-NE2 3.76Å; D454-H476 PolarHBondContact OD2-NE2 3.42Å; L455-H476 HydrophobicContact CD1-CB 4.11Å; L455-H476 PolarHBondContact N-CE1 3.19Å; D472-H476 PolarHBondContact O-N 3.39Å; A473-H476 WeakPolarHBondContact O-CB 3.49Å; A473-H476 PolarHBondContact O-N 3.04Å; A473-H476 VanDerWaalsContact O-N 3.13Å; H476-Y478 WeakPolarHBondContact ND1-CB 3.27Å; H476-Y478 PolarHBondContact ND1-N 2.93Å; H476-Y478 PolarHBondContact O-N 2.97Å; H476-F479 HydrophobicContact CB-CD2 4.21Å; H476-F479 WeakPolarHBondContact O-CB 3.07Å; H476-F479 PolarHBondContact O-N 3Å
477P97Very high79.2Confident66 Ų6681.5 Ų81.543%0.42940%0.404SS..G310 helixtrans-54.3-23.7-178.5-30.336000116.2F479 C480 N481P477-F479 PolarHBondContact O-N 3.04Å; P477-F479 VanDerWaalsContact O-N 3.15Å; P477-C480 PolarHBondContact O-N 3.33Å; P477-C480 VanDerWaalsContact O-N 3.13Å; P477-N481 PolarHBondContact O-N 3.14Å
478Y96.8Very high76Confident1 Ų185.6 Ų85.60%0.00443%0.434CS..G310 helixtrans-55.2-29.2172.7179.5-116.4000112.8R119 F329 P449 A452 L455 H476R119-Y478 HydrophobicContact CG-CD1 4.33Å; R119-Y478 HydrophobicContact CG-CE1 3.64Å; R119-Y478 HydrophobicContact CG-CE2 4.25Å; R119-Y478 PolarHBondContact NE-O 3.05Å; F329-Y478 AromaticContact CE2-CE1 3.88Å; F329-Y478 HydrophobicContact CE2-CE1 3.88Å; F329-Y478 AromaticContact CE2-CZ 3.94Å; F329-Y478 HydrophobicContact CZ-CD1 4.06Å; F329-Y478 AromaticContact CZ-CE1 3.51Å; F329-Y478 HydrophobicContact CZ-CE1 3.51Å; F329-Y478 HydrophobicContact CZ-CE2 4.28Å; F329-Y478 AromaticContact CZ-CZ 3.64Å; P449-Y478 HydrophobicContact CG-CD2 4.26Å; P449-Y478 HydrophobicContact CG-CE2 4.11Å; A452-Y478 HydrophobicContact CB-CD2 3.68Å; A452-Y478 HydrophobicContact CB-CE2 3.51Å; L455-Y478 HydrophobicContact CD2-CD1 3.61Å; L455-Y478 HydrophobicContact CD2-CE1 4.42Å; L455-Y478 HydrophobicContact CD2-CG 4.19Å; H476-Y478 WeakPolarHBondContact ND1-CB 3.27Å; H476-Y478 PolarHBondContact ND1-N 2.93Å; H476-Y478 PolarHBondContact O-N 2.97Å
479F96.2Very high72.8Confident11 Ų1189.9 Ų89.95%0.04847%0.466CS..G310 helixtrans-96.4-9-178.7-69.7-56.5000114.4R119 M122 R123 L126 L455 A473 H476 P477R119-F479 HydrophobicContact CB-CD1 4.44Å; R119-F479 WeakPolarHBondContact O-CE1 3.32Å; M122-F479 HydrophobicContact CB-CE1 3.89Å; M122-F479 HydrophobicContact CB-CZ 3.78Å; R123-F479 HydrophobicContact CB-CD1 4.28Å; R123-F479 HydrophobicContact CB-CE1 4.04Å; R123-F479 VanDerWaalsContact NH2-CB 3.32Å; R123-F479 PolarHBondContact NH2-O 3.02Å; L126-F479 HydrophobicContact CD1-CE2 3.61Å; L126-F479 HydrophobicContact CD1-CZ 3.68Å; L455-F479 HydrophobicContact CD2-CE2 3.69Å; L455-F479 HydrophobicContact CD2-CZ 3.92Å; A473-F479 WeakPolarHBondContact O-CD2 3.45Å; A473-F479 WeakPolarHBondContact O-CE2 3.48Å; H476-F479 HydrophobicContact CB-CD2 4.21Å; H476-F479 WeakPolarHBondContact O-CB 3.07Å; H476-F479 PolarHBondContact O-N 3Å; P477-F479 PolarHBondContact O-N 3.04Å; P477-F479 VanDerWaalsContact O-N 3.15Å
480C80.2Confident69.6Low89 Ų8992.7 Ų92.760%0.60148%0.478SS*.THydrogen-bonded Turntrans-100.5-24.4-176-59.80000113.3P477 D482P477-C480 PolarHBondContact O-N 3.33Å; P477-C480 VanDerWaalsContact O-N 3.13Å; C480-D482 PolarHBondContact O-N 3.23Å
481N62.5Low66.4Low92 Ų9298.1 Ų98.149%0.49251%0.513SS..  trans-96.165.8-168.9-71.2-10.2000113.8P477 K483P477-N481 PolarHBondContact O-N 3.14Å; N481-K483 VanDerWaalsContact C-N 3.32Å
482D54Low63.3Low112 Ų11298.5 Ų98.560%0.59952%0.517SS*.SBendtrans-83.6-1.5173.3-96.9-14.6000113.7R119 C480R119-D482 IonicContact NH1-OD1 2.9Å; C480-D482 PolarHBondContact O-N 3.23Å
483K48.9Very low60Low202 Ų202103.6 Ų103.688%0.87854%0.535SS*.SBendtrans-112.20.2-167.5-68.1-168.8177.8-177.30118N481N481-K483 VanDerWaalsContact C-N 3.32Å
484T37.8Very low56.8Low112 Ų112110.8 Ų110.869%0.68756%0.563SS**  trans-135.711.9-165.244.50000119.8
485Q38.2Very low53.7Low139 Ų139114.8 Ų114.865%0.6559%0.59SS**  trans-113.282.8174.4-64.3-160-3.300112.8
486R34.3Very low50.5Low240 Ų240116.3 Ų116.391%0.90660%0.603SS**  trans-67.3128.4156.4-73.7-176.7-178.1-178.60.9107.6S488R486-S488 PolarHBondContact O-N 3.21Å
487H36Very low47.3Very low188 Ų188123.4 Ų123.487%0.8764%0.64SS**  trans-37.398.9175.4-72.3-88.4000113.2
488S31.7Very low44.1Very low97 Ų97128.1 Ų128.168%0.67866%0.656SS**  trans-98.288.1160.463.50000107.6R486 I490R486-S488 PolarHBondContact O-N 3.21Å; S488-I490 PolarHBondContact O-N 3.26Å
489S30.7Very low40.8Very low111 Ų111133.8 Ų133.878%0.77670%0.696SS**  trans-66.883.3159.445.90000108.2
490I32.1Very low37.6Very low125 Ų125137.7 Ų137.764%0.64172%0.724SS**  trans-98.1120.6165.8-58.6174.3000106.2S488 I492S488-I490 PolarHBondContact O-N 3.26Å; I490-I492 PolarHBondContact O-N 3.3Å; I490-I492 VanDerWaalsContact O-N 3.14Å
491P30.3Very low35.3Very low116 Ų116137.7 Ų137.775%0.75373%0.731SS**  trans-65.9114.5175.2-8.122000108.7K493P491-K493 PolarHBondContact O-N 3.39Å
492I34.5Very low33.8Very low111 Ų111141.9 Ų141.957%0.56975%0.752SS**  trans-74.3110.2163.7-59.7176000105.9I447 I490 Y494I447-I492 HydrophobicContact CD1-CD1 4.25Å; I490-I492 PolarHBondContact O-N 3.3Å; I490-I492 VanDerWaalsContact O-N 3.14Å; I492-Y494 PolarHBondContact O-N 2.97Å; I492-Y494 VanDerWaalsContact O-N 3.14Å
493K28.3Very low32.6Very low197 Ų197143.9 Ų143.986%0.85776%0.762SS**  trans-61.8112.3168.1-78.4-178.2176.4179.90107.9P491P491-K493 PolarHBondContact O-N 3.39Å
494Y31.6Very low31.7Very low152 Ų152143.4 Ų143.460%0.59676%0.762SS**  trans-65136.5162.2-64-83.4000107.9L400 I492 N496L400-Y494 HydrophobicContact CD2-CE2 4.46Å; I492-Y494 PolarHBondContact O-N 2.97Å; I492-Y494 VanDerWaalsContact O-N 3.14Å; Y494-N496 PolarHBondContact O-N 3.33Å
495P31.5Very low31.6Very low113 Ų113148.5 Ų148.573%0.73478%0.775SS**  trans-58.4132.8163.9-6.218.5000107.6I497P495-I497 PolarHBondContact O-N 3.34Å
496N29.3Very low31.3Very low158 Ų158153 Ų15385%0.84579%0.786SS**  trans-54.1100172.2-82-29.1000108.9Y494 Q498Y494-N496 PolarHBondContact O-N 3.33Å; N496-Q498 VanDerWaalsContact C-N 3.28Å; N496-Q498 PolarHBondContact O-N 3.48Å
497I31.7Very low31.1Very low160 Ų160147.9 Ų147.982%0.82178%0.782SS**  trans-7198160.2-61.2174.6000104.3P495 S499P495-I497 PolarHBondContact O-N 3.34Å; I497-S499 PolarHBondContact O-N 3.26Å
498Q28.5Very low30.9Very low164 Ų164144.9 Ų144.977%0.76678%0.782SS**  trans-53.6110.1174.8-79.4179.1-23.100108.9N496 S500N496-Q498 VanDerWaalsContact C-N 3.28Å; N496-Q498 PolarHBondContact O-N 3.48Å; Q498-S500 PolarHBondContact O-N 3.14Å
499S28.4Very low30.7Very low121 Ų121152.1 Ų152.185%0.84679%0.794SS**  trans-71.377.1166-172.60000107.8I497I497-S499 PolarHBondContact O-N 3.26Å
500S28.7Very low30.6Very low92 Ų92152 Ų15264%0.64379%0.794SS**  trans-159.265.1174.763.10000111.8Q498Q498-S500 PolarHBondContact O-N 3.14Å
501A31.4Very low30.6Very low89 Ų89151.5 Ų151.574%0.73680%0.801SS**SBendtrans-166.7134.5150.800000106.9
502L32.4Very low30.4Very low180 Ų180155.8 Ų155.894%0.94281%0.808SS**  trans92.243.2-177.4-50.4156.9000116
503L28Very low30.2Very low155 Ų155155.2 Ų155.281%0.81281%0.813SS**  trans-127.574.1159.6-112.7147.8000108
504H30.7Very low30.3Very low191 Ų191152.4 Ų152.488%0.88480%0.803SS**  trans-173.391.1157.6-94.15.1000109.8
505K34.6Very low30.5Very low220 Ų220150.1 Ų150.196%0.95781%0.805SS**  trans-169.9129.3131.4-102167.4-173.5-1760111
506R32Very low30.8Very low234 Ų234148 Ų14888%0.88379%0.79SS**  trans-53.6138.6-171-78.2167.6161.9168.6-5.9117.1
507T29.9Very low31.3Very low131 Ų131142.9 Ų142.980%0.80477%0.765SS**  trans55.9111.3132.465.60000121
508S32.4Very low31.6Very low126 Ų126142.3 Ų142.388%0.88176%0.763SS**  -175.2150.2116.851.60000111
509R26.9Very low32.4Very low248 Ų248140.2 Ų140.294%0.93675%0.752SS**  trans-64.6125.3-169-70.7165.3161.2170.2-7.3113.3
510S30.4Very low33.1Very low110 Ų110137 Ų13777%0.76973%0.725SS**  trans179.4137.7138.647.30000112.9
511S30.8Very low33.4Very low113 Ų113134.8 Ų134.879%0.7971%0.708SS**  trans46.6100.116461.80000120.3C513S511-C513 PolarHBondContact O-N 3.13Å; S511-C513 VanDerWaalsContact O-N 3.13Å
512F26.9Very low33.4Very low206 Ų206139 Ų13990%0.90471%0.705SS**  trans-72.488.3172-158.5-100.5000111.6
513C30.6Very low33.4Very low99 Ų99132.2 Ų132.267%0.66967%0.672SS**  trans-148.446.1171.9-146.40000112.8S511S511-C513 PolarHBondContact O-N 3.13Å; S511-C513 VanDerWaalsContact O-N 3.13Å
514E30.2Very low33.3Very low138 Ų138133 Ų13365%0.64567%0.671SS**  trans-141.6104.8179.2-70.7-176.6157.300109.5
515T34.4Very low33.3Very low104 Ų104129.2 Ų129.264%0.63865%0.652SS**SBendtrans-159.55.2165.58.80000113.6
516T38.2Very low32.9Very low70 Ų70128.6 Ų128.643%0.42967%0.673SS.*SBendtrans-127.14.1174.425.70000113.4N518T516-N518 PolarHBondContact O-N 3.34Å
517T40.1Very low32.9Very low49 Ų49123.4 Ų123.430%0.30166%0.663SS.*THydrogen-bonded Turntrans-74.2-5.3178.137.80000114.3F519 I520T517-F519 VanDerWaalsContact C-N 3.31Å; T517-F519 PolarHBondContact O-N 2.84Å; T517-I520 CarbonylContact O-C 3.58Å
518N39Very low33.1Very low148 Ų148122.9 Ų122.979%0.79166%0.656SS**THydrogen-bonded Turntrans-77-10.6180-73.1-10.8000114.6T516T516-N518 PolarHBondContact O-N 3.34Å
519F44.8Very low33.1Very low120 Ų120122.8 Ų122.853%0.52664%0.643SS.*SBendtrans-107.6-11.6179.3-71.4-77.7000114.4T517T517-F519 VanDerWaalsContact C-N 3.31Å; T517-F519 PolarHBondContact O-N 2.84Å
520I42.1Very low33.5Very low54 Ų54115.4 Ų115.428%0.27763%0.626SS.*SBendtrans-143.5100.6173.6-55.9176.9000106.1A351 H354 T517 R522A351-I520 HydrophobicContact CB-CG2 3.93Å; H354-I520 HydrophobicContact CB-CG2 4.43Å; T517-I520 CarbonylContact O-C 3.58Å; I520-R522 PolarHBondContact O-N 3.01Å
521P34.9Very low33.7Very low46 Ų46115.8 Ų115.830%0.29962%0.617SS.*PPolyproline II helixtrans-57.4137.9174.6-17.930.4000109.6H350 H354 P376 P523H350-P521 PolarHBondContact CE1-O 2.97Å; H354-P521 WeakPolarHBondContact CD2-CD 3.23Å; H354-P521 WeakPolarHBondContact NE2-CD 3.27Å; P376-P521 HydrophobicContact CG-CB 4.26Å; P376-P521 HydrophobicContact CG-CG 4.42Å; P521-P523 WeakPolarHBondContact O-CD 3.19Å
522R32.1Very low33.9Very low178 Ų178115.9 Ų115.967%0.67261%0.605SS**PPolyproline II helixtrans-61.9125.3163.1-72.5-172-173.7-161.96.1107.3I520 Q524I520-R522 PolarHBondContact O-N 3.01Å; R522-Q524 PolarHBondContact O-N 2.94Å
523P33.3Very low34.4Very low37 Ų37109.5 Ų109.524%0.2458%0.584CS.*PPolyproline II helixtrans-61.1129.9173.121.2-26.3000109.5D347 H350 P521 F525D347-P523 WeakPolarHBondContact OD1-CG 3.46Å; H350-P523 HydrophobicContact CB-CG 4.33Å; P521-P523 WeakPolarHBondContact O-CD 3.19Å; P523-F525 HydrophobicContact CB-CD2 3.72Å; P523-F525 HydrophobicContact CB-CE2 3.57Å
524Q25.8Very low34.7Very low172 Ų172110.3 Ų110.380%0.80458%0.578SS**  trans-101.6111165.9-70.8-174.8-8.100106.5R522R522-Q524 PolarHBondContact O-N 2.94Å
525F29Very low35.1Very low111 Ų111108 Ų10849%0.48757%0.572SS.*  trans-137.2134.8170.2-65.9-71.1000110.8L281 D375 P523L281-F525 HydrophobicContact CD1-CE1 4.18Å; L281-F525 HydrophobicContact CD2-CE1 4.48Å; D375-F525 HydrophobicContact CB-CE1 4Å; D375-F525 HydrophobicContact CB-CZ 4.42Å; D375-F525 WeakPolarHBondContact O-CZ 3.44Å; P523-F525 HydrophobicContact CB-CD2 3.72Å; P523-F525 HydrophobicContact CB-CE2 3.57Å
526C27Very low35.1Very low207 Ų207108.4 Ų108.4100%1.39957%0.566SS**  trans-73.60167.9-71.20000112.4

Retrieved 526 of 526 residues in 848.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).