A0A5K4FBW1_SCHMA Loading...

5'-nucleotidase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.6Confident91.1Very high141 Ų14164.8 Ų64.870%0.69532%0.323SS*.  0114.70-148.6171.7-79.900108.7D5 R6M1-D5 WeakPolarHBondContact CA-OD2 3.31Å; M1-D5 HydrophobicContact CB-CB 4.35Å; M1-D5 HydrophobicContact CG-CB 3.23Å; M1-D5 HydrophobicContact SD-CB 4.31Å; M1-R6 HydrophobicContact CB-CG 4.21Å; M1-R6 HydrophobicContact CG-CG 3.65Å; M1-R6 HydrophobicContact SD-CB 4.39Å; M1-R6 HydrophobicContact SD-CG 3.46Å; M1-R6 WeakPolarHBondContact SD-CG 3.45Å
2T86.9Confident91.4Very high75 Ų7563.5 Ų63.546%0.4633%0.325SS..  trans-69.2173171.966.60000110E4 D5 R6T2-E4 VanDerWaalsContact C-N 3.28Å; T2-E4 PolarHBondContact OG1-N 3.24Å; T2-D5 PolarHBondContact N-OD2 3.42Å; T2-D5 PolarHBondContact OG1-N 3.18Å; T2-D5 PolarHBondContact OG1-OD1 3.19Å; T2-D5 PolarHBondContact OG1-OD2 2.95Å; T2-D5 VanDerWaalsContact OG1-OD2 3.14Å; T2-R6 WeakPolarHBondContact O-CG 3.36Å; T2-R6 PolarHBondContact O-N 3.11Å; T2-R6 PolarHBondContact O-NE 3.28Å
3L87.8Confident91.7Very high71 Ų7167.2 Ų67.237%0.37234%0.339SS..Hα-helixtrans-60.4-43.2170.3177.462000110.9R6 C7 R43 C313L3-R6 PolarHBondContact O-N 2.86Å; L3-C7 PolarHBondContact O-N 3.09Å; L3-C7 PolarHBondContact O-SG 3.42Å; L3-C7 VanDerWaalsContact O-SG 3.34Å; L3-R43 HydrophobicContact CD2-CG 4.4Å; L3-C313 HydrophobicContact CD1-CB 3.84Å
4E89.5Confident91.9Very high127 Ų12762.6 Ų62.659%0.59332%0.316SS*.Hα-helixtrans-60.8-45.3178.9-177.5172.8-174.700112.4T2 R6 C7 N8T2-E4 VanDerWaalsContact C-N 3.28Å; T2-E4 PolarHBondContact OG1-N 3.24Å; E4-R6 VanDerWaalsContact C-N 3.25Å; E4-R6 PolarHBondContact O-N 3.29Å; E4-C7 PolarHBondContact O-N 2.85Å; E4-N8 WeakPolarHBondContact O-CB 3.49Å; E4-N8 PolarHBondContact O-N 3.18Å; E4-N8 PolarHBondContact O-ND2 3.09Å
5D91.7Very high92.1Very high78 Ų7863.8 Ų63.842%0.41732%0.316SS..Hα-helixtrans-58.4-38.8176.6-63.7-21.9000111.7M1 T2 F9M1-D5 WeakPolarHBondContact CA-OD2 3.31Å; M1-D5 HydrophobicContact CB-CB 4.35Å; M1-D5 HydrophobicContact CG-CB 3.23Å; M1-D5 HydrophobicContact SD-CB 4.31Å; T2-D5 PolarHBondContact N-OD2 3.42Å; T2-D5 PolarHBondContact OG1-N 3.18Å; T2-D5 PolarHBondContact OG1-OD1 3.19Å; T2-D5 PolarHBondContact OG1-OD2 2.95Å; T2-D5 VanDerWaalsContact OG1-OD2 3.14Å; D5-F9 WeakPolarHBondContact O-CB 3.46Å; D5-F9 PolarHBondContact O-N 3.44Å
6R92.2Very high92Very high9 Ų966.3 Ų66.33%0.03433%0.331CS..Hα-helixtrans-71.3-45.5179.1-70178.5-64.6179.38.6111.8M1 T2 L3 E4 N8 F9 F10 C313 E316 S317M1-R6 HydrophobicContact CB-CG 4.21Å; M1-R6 HydrophobicContact CG-CG 3.65Å; M1-R6 HydrophobicContact SD-CB 4.39Å; M1-R6 HydrophobicContact SD-CG 3.46Å; M1-R6 WeakPolarHBondContact SD-CG 3.45Å; T2-R6 WeakPolarHBondContact O-CG 3.36Å; T2-R6 PolarHBondContact O-N 3.11Å; T2-R6 PolarHBondContact O-NE 3.28Å; L3-R6 PolarHBondContact O-N 2.86Å; E4-R6 VanDerWaalsContact C-N 3.25Å; E4-R6 PolarHBondContact O-N 3.29Å; R6-N8 VanDerWaalsContact C-N 3.27Å; R6-N8 PolarHBondContact O-N 2.94Å; R6-F9 WeakPolarHBondContact O-CB 3.43Å; R6-F9 PolarHBondContact O-N 3.28Å; R6-F9 VanDerWaalsContact O-N 3.16Å; R6-F10 HydrophobicContact CB-CE2 4.46Å; R6-F10 WeakPolarHBondContact O-CD2 3.47Å; R6-F10 PolarHBondContact O-N 3.46Å; R6-C313 PolarHBondContact NH1-O 3.48Å; R6-C313 PolarHBondContact NH2-O 2.97Å; R6-E316 WeakPolarHBondContact CD-OE2 3.38Å; R6-E316 IonicContact CZ-OE2 2.8Å; R6-E316 IonicContact NE-OE2 2.79Å; R6-E316 IonicContact NH1-OE2 2.94Å; R6-E316 PolarHBondContact NH1-OE2 3.23Å; R6-S317 PolarHBondContact NH2-OG 3.02Å
7C94.4Very high92Very high1 Ų164.5 Ų64.51%0.00733%0.325CS..Hα-helixtrans-58.2-42.8174.8-670000110.7L3 E4 F10 A11 V39 I42L3-C7 PolarHBondContact O-N 3.09Å; L3-C7 PolarHBondContact O-SG 3.42Å; L3-C7 VanDerWaalsContact O-SG 3.34Å; E4-C7 PolarHBondContact O-N 2.85Å; C7-F10 PolarHBondContact O-N 3.34Å; C7-A11 WeakPolarHBondContact O-CB 3.48Å; C7-A11 PolarHBondContact O-N 2.99Å; C7-V39 HydrophobicContact CB-CG1 3.87Å; C7-I42 HydrophobicContact CB-CG2 4.3Å
8N94.9Very high91.9Very high55 Ų5560.9 Ų60.929%0.29431%0.307SS..Hα-helixtrans-61.4-42.9174.3-82.6-65.3000112.8E4 R6 S12 V39E4-N8 WeakPolarHBondContact O-CB 3.49Å; E4-N8 PolarHBondContact O-N 3.18Å; E4-N8 PolarHBondContact O-ND2 3.09Å; R6-N8 VanDerWaalsContact C-N 3.27Å; R6-N8 PolarHBondContact O-N 2.94Å; N8-S12 VanDerWaalsContact O-CB 3.27Å; N8-S12 WeakPolarHBondContact O-CB 3.33Å; N8-S12 PolarHBondContact O-N 3.26Å; N8-S12 PolarHBondContact O-OG 3.35Å; N8-V39 HydrophobicContact CB-CG2 4.41Å; N8-V39 WeakPolarHBondContact OD1-CG2 3.23Å
9F95.5Very high91.5Very high123 Ų12359.7 Ų59.754%0.53931%0.311SS..Hα-helixtrans-60-51.2176.3173.2-96.8000111.6D5 R6 S12 H13D5-F9 WeakPolarHBondContact O-CB 3.46Å; D5-F9 PolarHBondContact O-N 3.44Å; R6-F9 WeakPolarHBondContact O-CB 3.43Å; R6-F9 PolarHBondContact O-N 3.28Å; R6-F9 VanDerWaalsContact O-N 3.16Å; F9-S12 PolarHBondContact O-N 3.19Å; F9-H13 PolarHBondContact O-N 3.33Å
10F96.2Very high90.9Very high33 Ų3360 Ų6015%0.14532%0.318CS..Hα-helixtrans-66.6-42.5179.7-71.6-60.9000112.5R6 C7 S12 H13 I14 I42 L312R6-F10 HydrophobicContact CB-CE2 4.46Å; R6-F10 WeakPolarHBondContact O-CD2 3.47Å; R6-F10 PolarHBondContact O-N 3.46Å; C7-F10 PolarHBondContact O-N 3.34Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 3.21Å; F10-H13 WeakPolarHBondContact O-CB 3.44Å; F10-H13 PolarHBondContact O-N 2.83Å; F10-H13 VanDerWaalsContact O-N 3.13Å; F10-I14 WeakPolarHBondContact O-CG1 3.32Å; F10-I14 PolarHBondContact O-N 3.45Å; F10-I42 HydrophobicContact CB-CD1 3.91Å; F10-L312 HydrophobicContact CE1-CD1 3.78Å; F10-L312 HydrophobicContact CE2-CB 4.11Å; F10-L312 HydrophobicContact CZ-CB 3.78Å; F10-L312 HydrophobicContact CZ-CD1 3.76Å; F10-L312 HydrophobicContact CZ-CG 4.42Å
11A96.2Very high90.3Very high0 Ų059.1 Ų59.10%031%0.313CS..Hα-helixtrans-59.3-42.3175.500000112C7 H13 I14 Y15 V35 L38 V39 I42C7-A11 WeakPolarHBondContact O-CB 3.48Å; C7-A11 PolarHBondContact O-N 2.99Å; A11-H13 VanDerWaalsContact C-N 3.33Å; A11-H13 PolarHBondContact O-N 3.43Å; A11-I14 PolarHBondContact O-N 3.26Å; A11-Y15 WeakPolarHBondContact O-CB 2.93Å; A11-Y15 PolarHBondContact O-N 3.14Å; A11-V35 HydrophobicContact CB-CG1 4.12Å; A11-L38 HydrophobicContact CB-CB 3.74Å; A11-V39 HydrophobicContact CB-CB 4.49Å; A11-V39 HydrophobicContact CB-CG2 3.54Å; A11-I42 HydrophobicContact CB-CD1 4.08Å
12S95.2Very high89.7Confident49 Ų4956.7 Ų56.734%0.34330%0.299SS..Hα-helixtrans-65.1-37.6175.8-57.90000111.8N8 F9 F10 Y15 N16N8-S12 VanDerWaalsContact O-CB 3.27Å; N8-S12 WeakPolarHBondContact O-CB 3.33Å; N8-S12 PolarHBondContact O-N 3.26Å; N8-S12 PolarHBondContact O-OG 3.35Å; F9-S12 PolarHBondContact O-N 3.19Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 3.21Å; S12-Y15 PolarHBondContact O-N 3.01Å; S12-N16 WeakPolarHBondContact O-CB 3.33Å; S12-N16 PolarHBondContact O-N 2.87Å; S12-N16 PolarHBondContact O-ND2 3.21Å
13H94.9Very high88.4Confident111 Ų11160.5 Ų60.551%0.51431%0.311SS..Hα-helixtrans-63.2-48174.8-173.569.4000111.6F9 F10 A11 Y15 N16 T17F9-H13 PolarHBondContact O-N 3.33Å; F10-H13 WeakPolarHBondContact O-CB 3.44Å; F10-H13 PolarHBondContact O-N 2.83Å; F10-H13 VanDerWaalsContact O-N 3.13Å; A11-H13 VanDerWaalsContact C-N 3.33Å; A11-H13 PolarHBondContact O-N 3.43Å; H13-Y15 VanDerWaalsContact C-N 3.33Å; H13-Y15 PolarHBondContact O-N 2.71Å; H13-N16 PolarHBondContact O-N 2.91Å; H13-T17 PolarHBondContact O-N 3.18Å; H13-T17 PolarHBondContact O-OG1 2.96Å; H13-T17 VanDerWaalsContact O-OG1 3.1Å
14I95.2Very high87.5Confident3 Ų361.7 Ų61.72%0.01532%0.318CS..Hα-helixtrans-57.1-47.4175.9-65.1171.6000110.6F10 A11 N16 T17 L18 L38 I42 F301F10-I14 WeakPolarHBondContact O-CG1 3.32Å; F10-I14 PolarHBondContact O-N 3.45Å; A11-I14 PolarHBondContact O-N 3.26Å; I14-N16 PolarHBondContact O-N 3.44Å; I14-T17 PolarHBondContact O-N 3.29Å; I14-L18 HydrophobicContact CG2-CD1 4.15Å; I14-L18 HydrophobicContact CG2-CG 4.48Å; I14-L18 WeakPolarHBondContact O-CG 3.28Å; I14-L18 PolarHBondContact O-N 3.09Å; I14-L38 HydrophobicContact CB-CD1 4.22Å; I14-L38 HydrophobicContact CD1-CD2 4.47Å; I14-L38 HydrophobicContact CG2-CD1 3.86Å; I14-L38 HydrophobicContact CG2-CD2 4.26Å; I14-I42 HydrophobicContact CD1-CD1 4Å; I14-F301 HydrophobicContact CG2-CE1 3.97Å; I14-F301 HydrophobicContact CG2-CZ 4.46Å
15Y93.8Very high86.5Confident81 Ų8163 Ų6332%0.31832%0.324SS..Hα-helixtrans-58.5-44.9177.6176-93.8000112.5A11 S12 H13 T17 L18 G19 V30 I34 V35A11-Y15 WeakPolarHBondContact O-CB 2.93Å; A11-Y15 PolarHBondContact O-N 3.14Å; S12-Y15 PolarHBondContact O-N 3.01Å; H13-Y15 VanDerWaalsContact C-N 3.33Å; H13-Y15 PolarHBondContact O-N 2.71Å; Y15-T17 PolarHBondContact O-N 3.3Å; Y15-L18 PolarHBondContact O-N 3.5Å; Y15-G19 PolarHBondContact O-N 2.86Å; Y15-V30 HydrophobicContact CD2-CG1 3.77Å; Y15-V30 HydrophobicContact CE2-CB 4.41Å; Y15-V30 HydrophobicContact CE2-CG1 3.48Å; Y15-V30 VanDerWaalsContact CE2-CG1 3.48Å; Y15-I34 HydrophobicContact CD2-CG2 3.59Å; Y15-I34 HydrophobicContact CE2-CG2 4.05Å; Y15-V35 HydrophobicContact CD1-CG2 4.36Å; Y15-V35 HydrophobicContact CD2-CG2 3.71Å; Y15-V35 HydrophobicContact CE2-CG2 4.38Å; Y15-V35 HydrophobicContact CG-CG2 3.69Å
16N91.7Very high86.2Confident103 Ų10362.3 Ų62.355%0.55132%0.315SS*.Hα-helixtrans-65.1-39177.6-69.4-26.2000111.9S12 H13 I14 G19 S20S12-N16 WeakPolarHBondContact O-CB 3.33Å; S12-N16 PolarHBondContact O-N 2.87Å; S12-N16 PolarHBondContact O-ND2 3.21Å; H13-N16 PolarHBondContact O-N 2.91Å; I14-N16 PolarHBondContact O-N 3.44Å; N16-G19 PolarHBondContact O-N 3.36Å; N16-S20 PolarHBondContact O-N 2.98Å
17T91.8Very high86.2Confident37 Ų3762 Ų6223%0.22731%0.314CS..Hα-helixtrans-64.5-44.3174.6-55.90000111.5H13 I14 Y15 G19 S20 M21 F301H13-T17 PolarHBondContact O-N 3.18Å; H13-T17 PolarHBondContact O-OG1 2.96Å; H13-T17 VanDerWaalsContact O-OG1 3.1Å; I14-T17 PolarHBondContact O-N 3.29Å; Y15-T17 PolarHBondContact O-N 3.3Å; T17-G19 VanDerWaalsContact C-N 3.27Å; T17-G19 PolarHBondContact O-N 2.73Å; T17-S20 PolarHBondContact O-N 3.43Å; T17-S20 PolarHBondContact O-OG 2.7Å; T17-M21 WeakPolarHBondContact O-CG 3.42Å; T17-M21 PolarHBondContact O-N 2.71Å; T17-F301 HydrophobicContact CG2-CE1 4.25Å; T17-F301 HydrophobicContact CG2-CE2 3.81Å; T17-F301 HydrophobicContact CG2-CZ 3.45Å; T17-F301 VanDerWaalsContact CG2-CZ 3.45Å
18L90.2Very high86.1Confident0 Ų063.8 Ų63.80%032%0.323CS..Hα-helixtrans-57.6-42.6172.4-70.5171000111.2I14 Y15 S20 M21 F22 L27 I34 L288 I298 F301 I302I14-L18 HydrophobicContact CG2-CD1 4.15Å; I14-L18 HydrophobicContact CG2-CG 4.48Å; I14-L18 WeakPolarHBondContact O-CG 3.28Å; I14-L18 PolarHBondContact O-N 3.09Å; Y15-L18 PolarHBondContact O-N 3.5Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.25Å; L18-M21 PolarHBondContact O-N 2.89Å; L18-M21 VanDerWaalsContact O-N 3.08Å; L18-F22 PolarHBondContact O-N 3.4Å; L18-F22 VanDerWaalsContact O-N 3.09Å; L18-L27 HydrophobicContact CB-CD2 4.08Å; L18-L27 HydrophobicContact CD2-CD2 4.29Å; L18-L27 WeakPolarHBondContact O-CD2 3.27Å; L18-I34 HydrophobicContact CD1-CD1 4.4Å; L18-L288 HydrophobicContact CD1-CD1 4.37Å; L18-L288 HydrophobicContact CD1-CD2 4.21Å; L18-I298 HydrophobicContact CD2-CD1 4.2Å; L18-I298 HydrophobicContact CD2-CG2 4.03Å; L18-F301 HydrophobicContact CD2-CD1 3.81Å; L18-F301 HydrophobicContact CD2-CE1 3.84Å; L18-F301 HydrophobicContact CG-CD1 4.43Å; L18-F301 HydrophobicContact CG-CE1 3.96Å; L18-I302 HydrophobicContact CD2-CD1 4.42Å; L18-I302 HydrophobicContact CD2-CG1 4.36Å
19G83.2Confident86.1Confident37 Ų3763 Ų6338%0.38132%0.318SS..Hα-helixtrans-58.2-35.6173.800000113.5Y15 N16 T17 F22Y15-G19 PolarHBondContact O-N 2.86Å; N16-G19 PolarHBondContact O-N 3.36Å; T17-G19 VanDerWaalsContact C-N 3.27Å; T17-G19 PolarHBondContact O-N 2.73Å; G19-F22 WeakPolarHBondContact O-CB 3.46Å; G19-F22 PolarHBondContact O-N 2.91Å
20S80.7Confident86Confident65 Ų6558.5 Ų58.546%0.45530%0.3SS..Hα-helixtrans-73.4-32.8173.4690000113.2N16 T17 L18 F22 E23N16-S20 PolarHBondContact O-N 2.98Å; T17-S20 PolarHBondContact O-N 3.43Å; T17-S20 PolarHBondContact O-OG 2.7Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.25Å; S20-F22 PolarHBondContact O-N 3.31Å; S20-E23 PolarHBondContact O-N 3.1Å
21M77.5Confident85.8Confident43 Ų4357.1 Ų57.121%0.21230%0.295CS..Hα-helixtrans-71.3-15.5174.7-62.3178.990.800112.7T17 L18 E23 D24 I298 F301T17-M21 WeakPolarHBondContact O-CG 3.42Å; T17-M21 PolarHBondContact O-N 2.71Å; L18-M21 PolarHBondContact O-N 2.89Å; L18-M21 VanDerWaalsContact O-N 3.08Å; M21-E23 PolarHBondContact O-N 3.44Å; M21-D24 PolarHBondContact O-N 3.34Å; M21-I298 HydrophobicContact CB-CD1 4.25Å; M21-I298 HydrophobicContact CE-CD1 3.53Å; M21-I298 HydrophobicContact SD-CD1 3.54Å; M21-I298 VanDerWaalsContact SD-CD1 3.54Å; M21-F301 HydrophobicContact SD-CD1 4.4Å; M21-F301 HydrophobicContact SD-CG 4.49Å
22F64.3Low85.4Confident90 Ų9062.5 Ų62.540%0.39533%0.33SS..G310 helixtrans-59.8-29.2171.6-164.7-87000112.5L18 G19 S20 D24 H25 L27 I28L18-F22 PolarHBondContact O-N 3.4Å; L18-F22 VanDerWaalsContact O-N 3.09Å; G19-F22 WeakPolarHBondContact O-CB 3.46Å; G19-F22 PolarHBondContact O-N 2.91Å; S20-F22 PolarHBondContact O-N 3.31Å; F22-D24 PolarHBondContact O-N 2.98Å; F22-H25 PolarHBondContact O-N 2.96Å; F22-H25 VanDerWaalsContact O-N 3.07Å; F22-L27 HydrophobicContact CD2-CG 4.31Å; F22-L27 WeakPolarHBondContact CD2-O 3.29Å; F22-L27 VanDerWaalsContact CE2-O 3.27Å; F22-L27 WeakPolarHBondContact CE2-O 3.32Å; F22-L27 WeakPolarHBondContact CG-O 3.26Å; F22-I28 WeakPolarHBondContact CE2-O 3.19Å
23E59.7Low85.2Confident155 Ų15569.3 Ų69.372%0.72435%0.348SS*.G310 helixtrans-65.7-21.1-178.1-63.6-174.7175.900112.8S20 M21 H25S20-E23 PolarHBondContact O-N 3.1Å; M21-E23 PolarHBondContact O-N 3.44Å; E23-H25 PolarHBondContact O-N 3.16Å
24D69.1Low85.2Confident95 Ų9564 Ų6451%0.50832%0.324SS..G310 helixtrans-74-0.2174.1-75.1-12.2000113.5M21 F22 R26M21-D24 PolarHBondContact O-N 3.34Å; F22-D24 PolarHBondContact O-N 2.98Å; D24-R26 HydrophobicContact CB-CG 4.47Å; D24-R26 PolarHBondContact O-N 3.3Å; D24-R26 IonicContact OD2-CZ 3.93Å; D24-R26 IonicContact OD2-NE 2.71Å; D24-R26 IonicContact OD2-NH2 2.67Å; D24-R26 PolarHBondContact OD2-NH2 3.21Å
25H69.1Low85.3Confident155 Ų15565.1 Ų65.172%0.71833%0.331SS*.SBendtrans614.4-174.5-58.6-61.9000116.2F22 E23F22-H25 PolarHBondContact O-N 2.96Å; F22-H25 VanDerWaalsContact O-N 3.07Å; E23-H25 PolarHBondContact O-N 3.16Å
26R85.2Confident85.4Confident64 Ų6466.3 Ų66.324%0.24234%0.342CS..SBendtrans-78.8-49.1175.5-67-176.3-71.9164.6-5.8111.6D24 L290 L291 D293 D297D24-R26 HydrophobicContact CB-CG 4.47Å; D24-R26 PolarHBondContact O-N 3.3Å; D24-R26 IonicContact OD2-CZ 3.93Å; D24-R26 IonicContact OD2-NE 2.71Å; D24-R26 IonicContact OD2-NH2 2.67Å; D24-R26 PolarHBondContact OD2-NH2 3.21Å; R26-L290 CarbonylContact O-C 3.47Å; R26-L290 VanDerWaalsContact O-CA 3.29Å; R26-L290 WeakPolarHBondContact O-CA 3.43Å; R26-L291 PolarHBondContact O-N 3.09Å; R26-D293 HydrophobicContact CB-CB 4.31Å; R26-D293 IonicContact NH1-OD1 3.9Å; R26-D297 IonicContact NH1-OD2 3Å; R26-D297 PolarHBondContact NH1-OD2 3.3Å
27L92.2Very high85.7Confident1 Ų163 Ų631%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-87.7115.6174.5-179.963.4000108.8L18 F22 H29 V30 L288 L290L18-L27 HydrophobicContact CB-CD2 4.08Å; L18-L27 HydrophobicContact CD2-CD2 4.29Å; L18-L27 WeakPolarHBondContact O-CD2 3.27Å; F22-L27 HydrophobicContact CD2-CG 4.31Å; F22-L27 WeakPolarHBondContact CD2-O 3.29Å; F22-L27 VanDerWaalsContact CE2-O 3.27Å; F22-L27 WeakPolarHBondContact CE2-O 3.32Å; F22-L27 WeakPolarHBondContact CG-O 3.26Å; L27-H29 WeakPolarHBondContact CD1-O 3.49Å; L27-V30 HydrophobicContact CD1-CG2 4.26Å; L27-V30 HydrophobicContact CD2-CG2 3.64Å; L27-V30 HydrophobicContact CG-CG2 3.93Å; L27-L288 HydrophobicContact CD1-CB 4.13Å; L27-L288 HydrophobicContact CD1-CD2 3.94Å; L27-L288 HydrophobicContact CD2-CD2 4.5Å; L27-L290 HydrophobicContact CB-CD2 4.07Å; L27-L290 HydrophobicContact CD1-CD2 3.62Å; L27-L290 HydrophobicContact CG-CD2 4.44Å
28I92.5Very high86Confident40 Ų4061.3 Ų61.321%0.20531%0.313CS..EExtended strand (participates in β ladder)trans-112.3-9.2-174.663.4158.6000113.8F22 L271 V279 V289 L291F22-I28 WeakPolarHBondContact CE2-O 3.19Å; I28-L271 HydrophobicContact CD1-CD2 4.16Å; I28-V279 HydrophobicContact CD1-CB 4.43Å; I28-V279 HydrophobicContact CD1-CG1 3.85Å; I28-V279 HydrophobicContact CD1-CG2 3.84Å; I28-V289 HydrophobicContact CD1-CG1 3.91Å; I28-V289 HydrophobicContact CG1-CB 4Å; I28-V289 HydrophobicContact CG1-CG1 3.84Å; I28-V289 WeakPolarHBondContact CG1-O 3.28Å; I28-V289 PolarHBondContact N-O 3.02Å; I28-L291 HydrophobicContact CD1-CB 4Å; I28-L291 HydrophobicContact CD1-CD2 4.47Å; I28-L291 HydrophobicContact CG1-CB 4.12Å; I28-L291 HydrophobicContact CG2-CB 3.71Å; I28-L291 HydrophobicContact CG2-CD2 4.08Å
29H93.4Very high86.3Confident39 Ų3962 Ų6218%0.18132%0.317CS..EExtended strand (participates in β ladder)trans-145.4134.9175.4-17973.9000110.6L27 G31 S283 Y286 L288 V289L27-H29 WeakPolarHBondContact CD1-O 3.49Å; H29-G31 WeakPolarHBondContact NE2-CA 3.42Å; H29-G31 PolarHBondContact NE2-N 2.87Å; H29-S283 PolarHBondContact NE2-O 2.96Å; H29-Y286 PolarHBondContact CD2-O 3.29Å; H29-L288 WeakPolarHBondContact O-CA 3.39Å; H29-V289 HydrophobicContact CB-CB 3.71Å; H29-V289 HydrophobicContact CB-CG2 3.71Å; H29-V289 PolarHBondContact O-N 3.26Å
30V94Very high87Confident27 Ų2762.7 Ų62.716%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-130111.6168.4-172.80000108.2Y15 L27 I34 L288Y15-V30 HydrophobicContact CD2-CG1 3.77Å; Y15-V30 HydrophobicContact CE2-CB 4.41Å; Y15-V30 HydrophobicContact CE2-CG1 3.48Å; Y15-V30 VanDerWaalsContact CE2-CG1 3.48Å; L27-V30 HydrophobicContact CD1-CG2 4.26Å; L27-V30 HydrophobicContact CD2-CG2 3.64Å; L27-V30 HydrophobicContact CG-CG2 3.93Å; V30-I34 HydrophobicContact CG1-CG2 3.95Å; V30-L288 HydrophobicContact CB-CD2 4.17Å; V30-L288 HydrophobicContact CG1-CD2 3.84Å; V30-L288 HydrophobicContact CG2-CD2 3.94Å
31G92.2Very high87.8Confident4 Ų459.6 Ų59.64%0.04129%0.29CS..  trans-67.8136-17600000111.4H29 R33 I34 D287H29-G31 WeakPolarHBondContact NE2-CA 3.42Å; H29-G31 PolarHBondContact NE2-N 2.87Å; G31-R33 PolarHBondContact O-N 2.97Å; G31-R33 VanDerWaalsContact O-N 3.11Å; G31-I34 WeakPolarHBondContact O-CB 3.45Å; G31-I34 WeakPolarHBondContact O-CG2 3.47Å; G31-I34 PolarHBondContact O-N 2.9Å; G31-I34 VanDerWaalsContact O-N 3.08Å; G31-D287 PolarHBondContact N-O 2.98Å
32P87.1Confident88.7Confident113 Ų11357.5 Ų57.573%0.73428%0.28SS*.THydrogen-bonded Turntrans-66.7-20.3-17326.2-35.4000113.7I34P32-I34 VanDerWaalsContact C-N 3.34Å
33R92Very high90.3Very high192 Ų19259.9 Ų59.973%0.72529%0.286SS*.THydrogen-bonded Turntrans-84.8-7.2179.1-64.4-177-178.7177.31.5113.3G31 V35 N36 K37G31-R33 PolarHBondContact O-N 2.97Å; G31-R33 VanDerWaalsContact O-N 3.11Å; R33-V35 PolarHBondContact O-N 3.03Å; R33-N36 PolarHBondContact O-N 2.77Å; R33-K37 PolarHBondContact O-N 3.08Å
34I95.2Very high91.9Very high1 Ų155.4 Ų55.41%0.00526%0.263CS..Hα-helixtrans-60.9-32.7-175.7-161175.4000112Y15 L18 V30 G31 P32 N36 K37 L38 I266 D287 L288Y15-I34 HydrophobicContact CD2-CG2 3.59Å; Y15-I34 HydrophobicContact CE2-CG2 4.05Å; L18-I34 HydrophobicContact CD1-CD1 4.4Å; V30-I34 HydrophobicContact CG1-CG2 3.95Å; G31-I34 WeakPolarHBondContact O-CB 3.45Å; G31-I34 WeakPolarHBondContact O-CG2 3.47Å; G31-I34 PolarHBondContact O-N 2.9Å; G31-I34 VanDerWaalsContact O-N 3.08Å; P32-I34 VanDerWaalsContact C-N 3.34Å; I34-N36 PolarHBondContact O-N 3.25Å; I34-K37 PolarHBondContact O-N 3.45Å; I34-L38 HydrophobicContact CG1-CD1 4.13Å; I34-L38 HydrophobicContact CG1-CG 4.23Å; I34-L38 WeakPolarHBondContact O-CB 3.16Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3.17Å; I34-I266 HydrophobicContact CD1-CG2 4.43Å; I34-D287 HydrophobicContact CB-CB 4.46Å; I34-D287 HydrophobicContact CD1-CB 4.18Å; I34-D287 HydrophobicContact CG1-CB 4.25Å; I34-L288 HydrophobicContact CD1-CD1 3.75Å; I34-L288 HydrophobicContact CD1-CD2 3.65Å; I34-L288 HydrophobicContact CD1-CG 3.59Å
35V96.2Very high93.2Very high26 Ų2650.9 Ų50.916%0.15824%0.239CC..Hα-helixtrans-58.9-47.2178.31790000111A11 Y15 R33 K37 L38 V39A11-V35 HydrophobicContact CB-CG1 4.12Å; Y15-V35 HydrophobicContact CD1-CG2 4.36Å; Y15-V35 HydrophobicContact CD2-CG2 3.71Å; Y15-V35 HydrophobicContact CE2-CG2 4.38Å; Y15-V35 HydrophobicContact CG-CG2 3.69Å; R33-V35 PolarHBondContact O-N 3.03Å; V35-K37 VanDerWaalsContact C-N 3.34Å; V35-K37 PolarHBondContact O-N 3.44Å; V35-L38 WeakPolarHBondContact O-CB 3.38Å; V35-L38 PolarHBondContact O-N 2.95Å; V35-V39 WeakPolarHBondContact O-CG2 3.35Å; V35-V39 PolarHBondContact O-N 2.93Å
36N96.3Very high94.5Very high105 Ų10544.5 Ų44.556%0.56121%0.211SC*.Hα-helixtrans-63.1-42.4179.2-64.6-13.3000111.3R33 I34 L38 V39 D40R33-N36 PolarHBondContact O-N 2.77Å; I34-N36 PolarHBondContact O-N 3.25Å; N36-L38 PolarHBondContact O-N 2.69Å; N36-V39 WeakPolarHBondContact O-CB 3.3Å; N36-V39 PolarHBondContact O-N 3.44Å; N36-D40 PolarHBondContact O-N 3.41Å; N36-D40 VanDerWaalsContact O-N 3.15Å
37K97.5Very high95Very high35 Ų3545.1 Ų45.115%0.15222%0.217CC..Hα-helixtrans-63-42.4175.9-62.2175.8170.5-172.20111.3R33 I34 V35 V39 D40 F41 I264 V265 I266 D287R33-K37 PolarHBondContact O-N 3.08Å; I34-K37 PolarHBondContact O-N 3.45Å; V35-K37 VanDerWaalsContact C-N 3.34Å; V35-K37 PolarHBondContact O-N 3.44Å; K37-V39 VanDerWaalsContact C-N 3.34Å; K37-V39 PolarHBondContact O-N 3.02Å; K37-D40 PolarHBondContact O-N 3.33Å; K37-F41 WeakPolarHBondContact O-CD2 3.37Å; K37-F41 PolarHBondContact O-N 3.14Å; K37-I264 HydrophobicContact CB-CG2 4.34Å; K37-I264 HydrophobicContact CG-CG2 4.39Å; K37-V265 VanDerWaalsContact CD-O 3.24Å; K37-V265 WeakPolarHBondContact CD-O 3.47Å; K37-V265 WeakPolarHBondContact CE-O 3.49Å; K37-V265 PolarHBondContact NZ-O 3.02Å; K37-I266 HydrophobicContact CB-CD1 4.03Å; K37-I266 HydrophobicContact CB-CG1 3.62Å; K37-I266 HydrophobicContact CD-CG1 4.08Å; K37-I266 HydrophobicContact CG-CG1 4.47Å; K37-D287 IonicContact NZ-OD1 2.78Å; K37-D287 PolarHBondContact NZ-OD1 3.32Å; K37-D287 IonicContact NZ-OD2 3.83Å; K37-D287 PolarHBondContact NZ-OD2 3.05Å
38L97.9Very high95.2Very high0 Ų049.6 Ų49.60%023%0.234CC..Hα-helixtrans-62.2-39.9175.6-74.1167.4000111.8A11 I14 I34 V35 N36 D40 F41 I42 I266 I302 I306A11-L38 HydrophobicContact CB-CB 3.74Å; I14-L38 HydrophobicContact CB-CD1 4.22Å; I14-L38 HydrophobicContact CD1-CD2 4.47Å; I14-L38 HydrophobicContact CG2-CD1 3.86Å; I14-L38 HydrophobicContact CG2-CD2 4.26Å; I34-L38 HydrophobicContact CG1-CD1 4.13Å; I34-L38 HydrophobicContact CG1-CG 4.23Å; I34-L38 WeakPolarHBondContact O-CB 3.16Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3.17Å; V35-L38 WeakPolarHBondContact O-CB 3.38Å; V35-L38 PolarHBondContact O-N 2.95Å; N36-L38 PolarHBondContact O-N 2.69Å; L38-D40 VanDerWaalsContact C-N 3.3Å; L38-D40 PolarHBondContact O-N 2.83Å; L38-F41 PolarHBondContact O-N 3.06Å; L38-I42 WeakPolarHBondContact O-CB 3.32Å; L38-I42 WeakPolarHBondContact O-CD1 3.17Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 2.84Å; L38-I266 HydrophobicContact CD2-CD1 3.88Å; L38-I266 HydrophobicContact CG-CD1 4.19Å; L38-I302 HydrophobicContact CD2-CG2 4.45Å; L38-I306 HydrophobicContact CD2-CD1 3.97Å; L38-I306 HydrophobicContact CD2-CG1 4.01Å
39V97.4Very high95.5Very high15 Ų1547.8 Ų47.89%0.09123%0.225CC..Hα-helixtrans-55.9-47.9173.91690000110.5C7 N8 A11 V35 N36 K37 I42 R43C7-V39 HydrophobicContact CB-CG1 3.87Å; N8-V39 HydrophobicContact CB-CG2 4.41Å; N8-V39 WeakPolarHBondContact OD1-CG2 3.23Å; A11-V39 HydrophobicContact CB-CB 4.49Å; A11-V39 HydrophobicContact CB-CG2 3.54Å; V35-V39 WeakPolarHBondContact O-CG2 3.35Å; V35-V39 PolarHBondContact O-N 2.93Å; N36-V39 WeakPolarHBondContact O-CB 3.3Å; N36-V39 PolarHBondContact O-N 3.44Å; K37-V39 VanDerWaalsContact C-N 3.34Å; K37-V39 PolarHBondContact O-N 3.02Å; V39-I42 PolarHBondContact O-N 2.99Å; V39-R43 VanDerWaalsContact O-CB 3.27Å; V39-R43 WeakPolarHBondContact O-CB 3.28Å; V39-R43 PolarHBondContact O-N 2.91Å
40D96.4Very high95.7Very high51 Ų5145.9 Ų45.927%0.27322%0.216SC..Hα-helixtrans-65.7-46.4179.1-68.9-36.9000112N36 K37 L38 I42 R43 Y44 I264N36-D40 PolarHBondContact O-N 3.41Å; N36-D40 VanDerWaalsContact O-N 3.15Å; K37-D40 PolarHBondContact O-N 3.33Å; L38-D40 VanDerWaalsContact C-N 3.3Å; L38-D40 PolarHBondContact O-N 2.83Å; D40-I42 VanDerWaalsContact C-N 3.32Å; D40-I42 PolarHBondContact O-N 3.22Å; D40-R43 WeakPolarHBondContact O-CB 3.47Å; D40-R43 PolarHBondContact O-N 3.11Å; D40-R43 VanDerWaalsContact O-N 3.1Å; D40-Y44 HydrophobicContact CB-CD2 4.33Å; D40-Y44 HydrophobicContact CB-CE2 4.4Å; D40-Y44 WeakPolarHBondContact O-CD2 3.44Å; D40-Y44 PolarHBondContact O-N 3.37Å; D40-I264 HydrophobicContact CB-CD1 3.48Å; D40-I264 VanDerWaalsContact CB-CD1 3.48Å; D40-I264 HydrophobicContact CB-CG2 4.14Å
41F98Very high95.9Very high0 Ų044.6 Ų44.60%021%0.209CC..Hα-helixtrans-57.8-43.2176.1-90.3-114.6000112.3K37 L38 R43 G45 M49 C238 I239 I264 I266 I306K37-F41 WeakPolarHBondContact O-CD2 3.37Å; K37-F41 PolarHBondContact O-N 3.14Å; L38-F41 PolarHBondContact O-N 3.06Å; F41-R43 VanDerWaalsContact C-N 3.35Å; F41-G45 WeakPolarHBondContact O-CA 3.44Å; F41-G45 PolarHBondContact O-N 3.34Å; F41-M49 HydrophobicContact CD1-CE 3.93Å; F41-M49 HydrophobicContact CD1-CG 4.08Å; F41-M49 HydrophobicContact CD1-SD 4.11Å; F41-M49 HydrophobicContact CE1-CE 4.19Å; F41-M49 HydrophobicContact CE1-CG 4.4Å; F41-C238 HydrophobicContact CD1-CB 3.85Å; F41-C238 HydrophobicContact CD2-CB 3.92Å; F41-C238 HydrophobicContact CE1-CB 3.76Å; F41-C238 HydrophobicContact CE2-CB 3.83Å; F41-C238 HydrophobicContact CG-CB 3.97Å; F41-C238 HydrophobicContact CZ-CB 3.77Å; F41-I239 VanDerWaalsContact CZ-N 3.29Å; F41-I239 WeakPolarHBondContact CZ-O 3.43Å; F41-I264 HydrophobicContact CD2-CG2 4.12Å; F41-I264 HydrophobicContact CE2-CB 4.26Å; F41-I264 HydrophobicContact CE2-CG2 3.9Å; F41-I264 VanDerWaalsContact CE2-O 3.25Å; F41-I264 WeakPolarHBondContact CE2-O 3.22Å; F41-I266 HydrophobicContact CD1-CD1 4.27Å; F41-I266 HydrophobicContact CD2-CD1 3.74Å; F41-I266 HydrophobicContact CD2-CG1 4.16Å; F41-I266 HydrophobicContact CE1-CD1 4.27Å; F41-I266 HydrophobicContact CE2-CB 4.41Å; F41-I266 HydrophobicContact CE2-CD1 3.74Å; F41-I266 HydrophobicContact CE2-CG1 3.68Å; F41-I266 HydrophobicContact CG-CD1 3.97Å; F41-I266 HydrophobicContact CZ-CB 4.19Å; F41-I266 HydrophobicContact CZ-CD1 3.98Å; F41-I266 HydrophobicContact CZ-CG1 3.93Å; F41-I306 HydrophobicContact CB-CD1 3.96Å; F41-I306 HydrophobicContact CB-CG1 4.29Å; F41-I306 HydrophobicContact CB-CG2 3.97Å; F41-I306 HydrophobicContact CD1-CD1 3.78Å; F41-I306 HydrophobicContact CG-CD1 4.19Å
42I97.7Very high96.2Very high0 Ų044.4 Ų44.40%021%0.207CC..Hα-helixtrans-67.5-37.7176.8-66.5164.7000110.6C7 F10 A11 I14 L38 V39 D40 I306 N310C7-I42 HydrophobicContact CB-CG2 4.3Å; F10-I42 HydrophobicContact CB-CD1 3.91Å; A11-I42 HydrophobicContact CB-CD1 4.08Å; I14-I42 HydrophobicContact CD1-CD1 4Å; L38-I42 WeakPolarHBondContact O-CB 3.32Å; L38-I42 WeakPolarHBondContact O-CD1 3.17Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 2.84Å; V39-I42 PolarHBondContact O-N 2.99Å; D40-I42 VanDerWaalsContact C-N 3.32Å; D40-I42 PolarHBondContact O-N 3.22Å; I42-I306 HydrophobicContact CG1-CG1 4.43Å; I42-I306 HydrophobicContact CG1-CG2 4.39Å; I42-N310 WeakPolarHBondContact O-CB 3.37Å; I42-N310 PolarHBondContact O-ND2 3.28Å
43R95.9Very high96.7Very high139 Ų13939 Ų3953%0.52517%0.172SC..Hα-helixtrans-67.5-48.1179.8179.7-178.5176-179.7-1.3111.7L3 V39 D40 F41L3-R43 HydrophobicContact CD2-CG 4.4Å; V39-R43 VanDerWaalsContact O-CB 3.27Å; V39-R43 WeakPolarHBondContact O-CB 3.28Å; V39-R43 PolarHBondContact O-N 2.91Å; D40-R43 WeakPolarHBondContact O-CB 3.47Å; D40-R43 PolarHBondContact O-N 3.11Å; D40-R43 VanDerWaalsContact O-N 3.1Å; F41-R43 VanDerWaalsContact C-N 3.35Å
44Y95.1Very high97Very high62 Ų6230 Ų3024%0.24314%0.138CC..Hα-helixtrans-72.2-47.1179.3-75.5-68.2000111.4D40 E47 Y48 I237 I264D40-Y44 HydrophobicContact CB-CD2 4.33Å; D40-Y44 HydrophobicContact CB-CE2 4.4Å; D40-Y44 WeakPolarHBondContact O-CD2 3.44Å; D40-Y44 PolarHBondContact O-N 3.37Å; Y44-E47 VanDerWaalsContact O-CD 3.31Å; Y44-Y48 HydrophobicContact CD1-CD1 4.24Å; Y44-Y48 HydrophobicContact CD1-CD2 4Å; Y44-Y48 HydrophobicContact CD1-CE1 4.5Å; Y44-Y48 HydrophobicContact CD1-CE2 4.3Å; Y44-Y48 HydrophobicContact CD1-CG 4.02Å; Y44-Y48 HydrophobicContact CG-CD2 4.37Å; Y44-Y48 HydrophobicContact CG-CG 4.34Å; Y44-Y48 VanDerWaalsContact O-CD2 3.28Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.2Å; Y44-I237 HydrophobicContact CD1-CD1 4.12Å; Y44-I237 HydrophobicContact CD2-CD1 4.27Å; Y44-I237 HydrophobicContact CE1-CD1 3.71Å; Y44-I237 HydrophobicContact CE2-CD1 3.89Å; Y44-I237 HydrophobicContact CG-CD1 4.4Å; Y44-I264 HydrophobicContact CD2-CD1 4.14Å; Y44-I264 HydrophobicContact CE2-CD1 3.65Å
45G95.9Very high97.2Very high0 Ų030 Ų300%014%0.138CC..  trans84.5178.7179.100000114.6F41 E47 Y48 M49 N310F41-G45 WeakPolarHBondContact O-CA 3.44Å; F41-G45 PolarHBondContact O-N 3.34Å; G45-E47 PolarHBondContact O-N 3.32Å; G45-E47 VanDerWaalsContact O-N 3.14Å; G45-Y48 PolarHBondContact O-N 3.12Å; G45-Y48 VanDerWaalsContact O-N 3.11Å; G45-M49 WeakPolarHBondContact O-CG 3.43Å; G45-N310 VanDerWaalsContact CA-ND2 3.32Å; G45-N310 WeakPolarHBondContact CA-ND2 3.43Å
46P96.5Very high97.2Very high20 Ų2029.6 Ų29.613%0.1314%0.135CC..G310 helixtrans-59.4-27.7-171.223.6-34.5000114.2Y48 M49 I163 R236 V307P46-Y48 PolarHBondContact O-N 2.78Å; P46-M49 PolarHBondContact O-N 2.92Å; P46-I163 HydrophobicContact CB-CD1 3.89Å; P46-I163 HydrophobicContact CB-CG1 4.16Å; P46-R236 PolarHBondContact O-NH1 3.28Å; P46-V307 HydrophobicContact CB-CG2 4.3Å
47E95.8Very high97.3Very high78 Ų7825.5 Ų25.536%0.36411%0.112SC..G310 helixtrans-65-20.9179.164.9-90.3-143.700113.7Y44 G45 R236 K314Y44-E47 VanDerWaalsContact O-CD 3.31Å; G45-E47 PolarHBondContact O-N 3.32Å; G45-E47 VanDerWaalsContact O-N 3.14Å; E47-R236 VanDerWaalsContact C-NH1 3.29Å; E47-R236 WeakPolarHBondContact O-CD 3.17Å; E47-R236 PolarHBondContact O-NE 2.66Å; E47-R236 PolarHBondContact O-NH1 3.46Å; E47-K314 IonicContact OE1-NZ 2.71Å; E47-K314 PolarHBondContact OE1-NZ 3.39Å; E47-K314 IonicContact OE2-NZ 3.21Å; E47-K314 PolarHBondContact OE2-NZ 3.47Å
48Y97Very high97.3Very high95 Ų9523.8 Ų23.837%0.37311%0.105SC..G310 helixtrans-106.24.4174.4-63.5-90.2000112.6Y44 G45 P46 K235 R236 I237 C238Y44-Y48 HydrophobicContact CD1-CD1 4.24Å; Y44-Y48 HydrophobicContact CD1-CD2 4Å; Y44-Y48 HydrophobicContact CD1-CE1 4.5Å; Y44-Y48 HydrophobicContact CD1-CE2 4.3Å; Y44-Y48 HydrophobicContact CD1-CG 4.02Å; Y44-Y48 HydrophobicContact CG-CD2 4.37Å; Y44-Y48 HydrophobicContact CG-CG 4.34Å; Y44-Y48 VanDerWaalsContact O-CD2 3.28Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.2Å; G45-Y48 PolarHBondContact O-N 3.12Å; G45-Y48 VanDerWaalsContact O-N 3.11Å; P46-Y48 PolarHBondContact O-N 2.78Å; Y48-K235 WeakPolarHBondContact CD1-O 3.31Å; Y48-R236 CarbonylContact O-C 3.48Å; Y48-R236 WeakPolarHBondContact O-CA 2.91Å; Y48-I237 HydrophobicContact CD1-CG1 4.38Å; Y48-I237 PolarHBondContact O-N 2.72Å; Y48-C238 PolarHBondContact O-N 3.05Å
49M98.2Very high97.3Very high1 Ų123.9 Ų23.91%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-90.6148-177.9-71.3174.863.800112.7F41 G45 P46 I163 P164 R236 C238 L303 I306F41-M49 HydrophobicContact CD1-CE 3.93Å; F41-M49 HydrophobicContact CD1-CG 4.08Å; F41-M49 HydrophobicContact CD1-SD 4.11Å; F41-M49 HydrophobicContact CE1-CE 4.19Å; F41-M49 HydrophobicContact CE1-CG 4.4Å; G45-M49 WeakPolarHBondContact O-CG 3.43Å; P46-M49 PolarHBondContact O-N 2.92Å; M49-I163 HydrophobicContact CB-CD1 4.24Å; M49-I163 HydrophobicContact CB-CG1 4.37Å; M49-I163 HydrophobicContact CB-CG2 4.17Å; M49-I163 HydrophobicContact CE-CD1 4.4Å; M49-P164 WeakPolarHBondContact O-CD 3.36Å; M49-R236 VanDerWaalsContact O-CD 3.28Å; M49-R236 WeakPolarHBondContact O-CD 3.49Å; M49-C238 CarbonylContact C-O 3.6Å; M49-C238 VanDerWaalsContact CA-O 3.24Å; M49-C238 WeakPolarHBondContact CA-O 3.38Å; M49-C238 HydrophobicContact CG-CB 3.96Å; M49-L303 HydrophobicContact CE-CD1 3.84Å; M49-I306 HydrophobicContact CE-CD1 4.42Å; M49-I306 HydrophobicContact CE-CG2 4.3Å; M49-I306 HydrophobicContact SD-CG2 3.7Å
50Q97.6Very high97.4Very high0 Ų023.1 Ų23.10%010%0.101CC..EExtended strand (participates in β ladder)trans-142.7162.7161.561.8175.1-5800110.1P164 Y220 L233 R236 C238 I239 L240Q50-P164 HydrophobicContact CB-CG 3.8Å; Q50-Y220 VanDerWaalsContact CD-OH 3.31Å; Q50-Y220 PolarHBondContact NE2-OH 2.98Å; Q50-Y220 PolarHBondContact OE1-OH 3.14Å; Q50-L233 PolarHBondContact NE2-O 2.9Å; Q50-R236 HydrophobicContact CB-CB 3.77Å; Q50-R236 HydrophobicContact CB-CG 4.28Å; Q50-R236 HydrophobicContact CG-CB 3.8Å; Q50-R236 PolarHBondContact NE2-O 2.93Å; Q50-C238 PolarHBondContact N-O 3.49Å; Q50-I239 HydrophobicContact CG-CB 4.26Å; Q50-I239 HydrophobicContact CG-CD1 4.47Å; Q50-I239 HydrophobicContact CG-CG1 3.77Å; Q50-I239 HydrophobicContact CG-CG2 4.06Å; Q50-I239 WeakPolarHBondContact O-CA 3.15Å; Q50-L240 PolarHBondContact O-N 3.46Å
51V98.3Very high97.4Very high0 Ų021.4 Ų21.40%09%0.091CC..EExtended strand (participates in β ladder)trans-117.8133.5174-176.30000109.1C53 F154 L158 I163 P164 L165 V166 L240V51-C53 HydrophobicContact CG1-CB 4.36Å; V51-F154 HydrophobicContact CG1-CE1 4.08Å; V51-F154 HydrophobicContact CG1-CZ 4Å; V51-F154 HydrophobicContact CG2-CZ 4.12Å; V51-L158 HydrophobicContact CB-CD1 4.08Å; V51-L158 HydrophobicContact CG2-CD1 3.69Å; V51-L158 HydrophobicContact CG2-CD2 3.54Å; V51-L158 HydrophobicContact CG2-CG 4.29Å; V51-I163 HydrophobicContact CG2-CG2 4.29Å; V51-P164 PolarHBondContact N-O 2.78Å; V51-L165 HydrophobicContact CB-CD1 3.74Å; V51-L165 HydrophobicContact CG1-CD1 3.57Å; V51-V166 PolarHBondContact O-N 3.39Å; V51-L240 CarbonylContact C-O 3.51Å; V51-L240 VanDerWaalsContact CA-O 3.32Å; V51-L240 WeakPolarHBondContact CA-O 3.44Å; V51-L240 WeakPolarHBondContact CG1-O 3.43Å; V51-L240 HydrophobicContact CG2-CB 4.2Å
52V97.7Very high97.4Very high0 Ų022 Ų220%010%0.095CC..EExtended strand (participates in β ladder)trans-118.2117.6171-177.30000107.4V166 F168 Y220 I239 L240 L241 V242 M251 I252V52-V166 CarbonylContact C-O 3.53Å; V52-V166 WeakPolarHBondContact CA-O 3.33Å; V52-V166 HydrophobicContact CG2-CB 4.35Å; V52-F168 HydrophobicContact CG1-CB 4.38Å; V52-Y220 HydrophobicContact CG1-CD2 4.44Å; V52-Y220 HydrophobicContact CG2-CD2 3.97Å; V52-Y220 HydrophobicContact CG2-CE2 3.5Å; V52-I239 HydrophobicContact CB-CG2 4.27Å; V52-I239 HydrophobicContact CG2-CG2 3.7Å; V52-L240 PolarHBondContact N-O 3.33Å; V52-L241 CarbonylContact O-C 3.6Å; V52-L241 VanDerWaalsContact O-CA 3.28Å; V52-L241 WeakPolarHBondContact O-CA 3.32Å; V52-V242 PolarHBondContact O-N 3.2Å; V52-M251 HydrophobicContact CG1-SD 3.73Å; V52-I252 HydrophobicContact CB-CD1 4.25Å; V52-I252 HydrophobicContact CG2-CD1 3.84Å
53C98.3Very high97.3Very high0 Ų025.6 Ų25.60%011%0.113CC..EExtended strand (participates in β ladder)trans-132.2133.4-169.4-165.10000110.2V51 L165 V166 I167 F168 V242V51-C53 HydrophobicContact CG1-CB 4.36Å; C53-L165 HydrophobicContact CB-CD1 3.83Å; C53-V166 PolarHBondContact N-O 3.41Å; C53-I167 CarbonylContact O-C 3.14Å; C53-I167 VanDerWaalsContact O-CA 3.24Å; C53-I167 WeakPolarHBondContact O-CA 3.44Å; C53-F168 PolarHBondContact O-N 3.06Å; C53-V242 WeakPolarHBondContact CA-O 3.35Å; C53-V242 HydrophobicContact CB-CB 4.44Å
54D98.2Very high97.3Very high3 Ų321.9 Ų21.92%0.01610%0.102CC..  trans-69.8162.5161.4178.958.9000111.1D56 T58 S169 K218 V242 M251D54-D56 PolarHBondContact OD2-N 3.04Å; D54-T58 HydrophobicContact CB-CG2 4.16Å; D54-T58 WeakPolarHBondContact O-CB 3.09Å; D54-T58 WeakPolarHBondContact O-CG2 3.24Å; D54-T58 PolarHBondContact OD2-OG1 3.35Å; D54-T58 VanDerWaalsContact OD2-OG1 3.04Å; D54-S169 PolarHBondContact OD1-OG 3.02Å; D54-K218 VanDerWaalsContact CG-NZ 3.3Å; D54-K218 IonicContact OD1-NZ 2.8Å; D54-K218 PolarHBondContact OD1-NZ 3.22Å; D54-V242 PolarHBondContact N-O 2.94Å; D54-M251 HydrophobicContact CB-CE 3.94Å
55F98.4Very high97.2Very high0 Ų025 Ų250%012%0.123CC..Iπ-helixtrans-102.7-64.4178.6-175.5-98.2000113.4H57 T58 L59 S60 I145 L147 I167 I176 V179 L180F55-H57 PolarHBondContact O-N 3.5Å; F55-T58 PolarHBondContact O-N 2.95Å; F55-T58 VanDerWaalsContact O-N 3.12Å; F55-L59 HydrophobicContact CD2-CB 4.03Å; F55-L59 HydrophobicContact CD2-CD2 3.91Å; F55-L59 HydrophobicContact CD2-CG 4.49Å; F55-L59 HydrophobicContact CE2-CD2 4.19Å; F55-L59 PolarHBondContact O-N 3.4Å; F55-S60 PolarHBondContact O-N 2.86Å; F55-S60 PolarHBondContact O-OG 2.86Å; F55-I145 HydrophobicContact CE1-CD1 4.44Å; F55-I145 HydrophobicContact CE1-CG2 4.09Å; F55-I145 HydrophobicContact CZ-CG2 4.13Å; F55-L147 HydrophobicContact CE2-CD2 4Å; F55-L147 HydrophobicContact CZ-CD2 4.26Å; F55-I167 HydrophobicContact CB-CG2 3.84Å; F55-I167 HydrophobicContact CD2-CG2 4.46Å; F55-I176 HydrophobicContact CB-CD1 3.96Å; F55-I176 HydrophobicContact CB-CG1 4.21Å; F55-I176 HydrophobicContact CD1-CD1 4.23Å; F55-I176 HydrophobicContact CD1-CG1 3.65Å; F55-I176 HydrophobicContact CD2-CB 4.4Å; F55-I176 HydrophobicContact CD2-CG1 4.12Å; F55-I176 HydrophobicContact CD2-CG2 3.71Å; F55-I176 HydrophobicContact CE1-CG1 3.96Å; F55-I176 HydrophobicContact CE2-CB 4.44Å; F55-I176 HydrophobicContact CE2-CG1 4.41Å; F55-I176 HydrophobicContact CE2-CG2 3.91Å; F55-I176 HydrophobicContact CG-CB 4.48Å; F55-I176 HydrophobicContact CG-CD1 4.05Å; F55-I176 HydrophobicContact CG-CG1 3.72Å; F55-I176 HydrophobicContact CG-CG2 4.15Å; F55-I176 HydrophobicContact CZ-CG1 4.32Å; F55-V179 HydrophobicContact CZ-CB 4.06Å; F55-V179 HydrophobicContact CZ-CG1 3.96Å; F55-V179 HydrophobicContact CZ-CG2 4.45Å; F55-L180 HydrophobicContact CE2-CD2 4.48Å; F55-L180 HydrophobicContact CE2-CG 4.39Å
56D97.8Very high97Very high18 Ų1830.9 Ų30.910%0.09616%0.164CC..Iπ-helixtrans-65.6120.5-170.2-79-47.2000110.3D54 T58 S60 V71 C72D54-D56 PolarHBondContact OD2-N 3.04Å; D56-T58 PolarHBondContact O-N 2.87Å; D56-S60 WeakPolarHBondContact CA-OG 3.41Å; D56-V71 HydrophobicContact CB-CB 4.01Å; D56-V71 HydrophobicContact CB-CG1 3.82Å; D56-V71 VanDerWaalsContact OD1-CA 3.25Å; D56-V71 WeakPolarHBondContact OD1-CA 3.48Å; D56-C72 PolarHBondContact OD1-N 3.47Å; D56-C72 PolarHBondContact OD1-SG 3.15Å
57H97.6Very high96.9Very high18 Ų1837 Ų378%0.08319%0.191CC..Iπ-helixtrans59.112-176.7-54167000114.1F55 S60 K61 C62 V69 V71 R148 D244 N272F55-H57 PolarHBondContact O-N 3.5Å; H57-S60 CarbonylContact C-O 3.44Å; H57-S60 WeakPolarHBondContact CA-O 3.15Å; H57-S60 PolarHBondContact N-OG 3.44Å; H57-K61 PolarHBondContact CD2-O 2.72Å; H57-C62 HydrophobicContact CB-CB 4.05Å; H57-V69 PolarHBondContact NE2-O 2.83Å; H57-V71 WeakPolarHBondContact CE1-CG1 3.44Å; H57-V71 WeakPolarHBondContact NE2-CG1 3.28Å; H57-R148 PolarHBondContact O-NH2 2.83Å; H57-D244 WeakPolarHBondContact O-CB 3.38Å; H57-N272 PolarHBondContact O-ND2 2.91Å
58T98.4Very high96.9Very high0 Ų039.7 Ų39.70%020%0.201CC..Iπ-helixtrans-112.7-75.2170.6-64.60000109.6D54 F55 D56 S60 R148 V242 D244 F270 F296D54-T58 HydrophobicContact CB-CG2 4.16Å; D54-T58 WeakPolarHBondContact O-CB 3.09Å; D54-T58 WeakPolarHBondContact O-CG2 3.24Å; D54-T58 PolarHBondContact OD2-OG1 3.35Å; D54-T58 VanDerWaalsContact OD2-OG1 3.04Å; F55-T58 PolarHBondContact O-N 2.95Å; F55-T58 VanDerWaalsContact O-N 3.12Å; D56-T58 PolarHBondContact O-N 2.87Å; T58-S60 CarbonylContact C-O 3.54Å; T58-S60 PolarHBondContact N-O 2.92Å; T58-R148 VanDerWaalsContact O-CD 3.26Å; T58-R148 WeakPolarHBondContact O-CD 3.39Å; T58-R148 PolarHBondContact O-NE 3.34Å; T58-V242 HydrophobicContact CG2-CB 4.42Å; T58-V242 HydrophobicContact CG2-CG1 3.83Å; T58-D244 WeakPolarHBondContact OG1-CB 3.2Å; T58-D244 PolarHBondContact OG1-N 3.43Å; T58-D244 VanDerWaalsContact OG1-N 3.1Å; T58-D244 PolarHBondContact OG1-OD1 2.95Å; T58-F270 HydrophobicContact CG2-CD2 4.28Å; T58-F296 VanDerWaalsContact O-CE2 3.23Å; T58-F296 WeakPolarHBondContact O-CE2 3.39Å
59L98.1Very high96.9Very high1 Ų135.4 Ų35.41%0.00519%0.185CC..Iπ-helixtrans-72.9-36.8173.3-164.267.4000110.9F55 L147 R148 A151 V155 I167 L180 F296F55-L59 HydrophobicContact CD2-CB 4.03Å; F55-L59 HydrophobicContact CD2-CD2 3.91Å; F55-L59 HydrophobicContact CD2-CG 4.49Å; F55-L59 HydrophobicContact CE2-CD2 4.19Å; F55-L59 PolarHBondContact O-N 3.4Å; L59-L147 HydrophobicContact CG-CD2 4.32Å; L59-R148 PolarHBondContact O-N 3.39Å; L59-A151 HydrophobicContact CD1-CB 3.92Å; L59-A151 HydrophobicContact CG-CB 4.46Å; L59-V155 HydrophobicContact CD1-CG2 4.45Å; L59-I167 HydrophobicContact CD2-CD1 3.92Å; L59-L180 HydrophobicContact CD2-CD2 3.78Å; L59-F296 HydrophobicContact CB-CZ 4.43Å; L59-F296 HydrophobicContact CD1-CE1 3.9Å; L59-F296 HydrophobicContact CD1-CE2 3.92Å; L59-F296 HydrophobicContact CD1-CZ 3.49Å; L59-F296 VanDerWaalsContact CD1-CZ 3.49Å
60S98Very high96.7Very high0 Ų036.1 Ų36.10%019%0.189CC..BIsolated β-bridgetrans-82152.5165.669.10000111.5F55 D56 H57 T58 V146F55-S60 PolarHBondContact O-N 2.86Å; F55-S60 PolarHBondContact O-OG 2.86Å; D56-S60 WeakPolarHBondContact CA-OG 3.41Å; H57-S60 CarbonylContact C-O 3.44Å; H57-S60 WeakPolarHBondContact CA-O 3.15Å; H57-S60 PolarHBondContact N-OG 3.44Å; T58-S60 CarbonylContact C-O 3.54Å; T58-S60 PolarHBondContact N-O 2.92Å; S60-V146 CarbonylContact C-O 3.52Å; S60-V146 WeakPolarHBondContact CA-O 3.35Å
61K97.8Very high96.6Very high14 Ų1437.6 Ų37.66%0.06120%0.199CC..  trans-64152.6174.6-70.4-174.5177.3173.80110.4H57 H64 V69 V146 L147 R148 N149 E294H57-K61 PolarHBondContact CD2-O 2.72Å; K61-H64 HydrophobicContact CD-CB 4.22Å; K61-V69 HydrophobicContact CB-CG2 3.98Å; K61-V69 VanDerWaalsContact O-CB 3.24Å; K61-V69 WeakPolarHBondContact O-CB 3.13Å; K61-V69 WeakPolarHBondContact O-CG1 3.14Å; K61-V146 HydrophobicContact CD-CG1 4.06Å; K61-V146 PolarHBondContact N-O 3.47Å; K61-L147 VanDerWaalsContact CE-O 3.27Å; K61-L147 WeakPolarHBondContact CE-O 3.24Å; K61-R148 HydrophobicContact CG-CB 4.4Å; K61-R148 HydrophobicContact CG-CG 3.98Å; K61-N149 WeakPolarHBondContact CE-OD1 3.43Å; K61-N149 PolarHBondContact NZ-OD1 2.86Å; K61-E294 WeakPolarHBondContact CA-OE2 3.39Å; K61-E294 WeakPolarHBondContact CB-OE2 3.27Å; K61-E294 HydrophobicContact CD-CB 4.24Å; K61-E294 WeakPolarHBondContact CE-O 3.25Å; K61-E294 HydrophobicContact CG-CB 4.34Å; K61-E294 VanDerWaalsContact CG-OE2 3.26Å; K61-E294 WeakPolarHBondContact CG-OE2 3.45Å
62C96.9Very high96.5Very high14 Ų1437.6 Ų37.610%0.09520%0.199CC..SBendtrans-87.3-40.8164.8-175.80000110.4H57 K68 V69 N272 E294H57-C62 HydrophobicContact CB-CB 4.05Å; C62-K68 WeakPolarHBondContact O-CA 3.43Å; C62-V69 PolarHBondContact O-N 3.19Å; C62-N272 HydrophobicContact CB-CB 3.75Å; C62-N272 VanDerWaalsContact CB-CG 3.47Å; C62-E294 PolarHBondContact N-OE2 2.84Å
63I96.1Very high96.3Very high74 Ų7438.5 Ų38.538%0.37920%0.202SC..EExtended strand (participates in β ladder)trans-124.9131.6178.7-57.5177.8000110.1E67 E294I63-E67 CarbonylContact C-O 3.59Å; I63-E67 WeakPolarHBondContact CA-O 3.2Å; I63-E294 PolarHBondContact N-OE1 3.42Å
64H95.2Very high96.1Very high61 Ų6139.5 Ų39.528%0.28221%0.207SC..EExtended strand (participates in β ladder)trans-132.4126.4171.6-173.455.6000109.8K61 S66 E67 V69K61-H64 HydrophobicContact CD-CB 4.22Å; H64-S66 PolarHBondContact O-N 3.21Å; H64-E67 PolarHBondContact N-O 2.99Å; H64-E67 PolarHBondContact O-N 3.26Å; H64-V69 HydrophobicContact CB-CG2 3.55Å
65N93.8Very high96Very high129 Ų12939.6 Ų39.669%0.6921%0.208SC*.THydrogen-bonded Turntrans50.741.9-177.8-55.6-28.3000113.6E67N65-E67 PolarHBondContact O-N 3.3Å
66S92.2Very high95.8Very high123 Ų12339.6 Ų39.686%0.8621%0.208SC*.THydrogen-bonded Turntrans676.9-177.2-50.90000115.7H64H64-S66 PolarHBondContact O-N 3.21Å
67E94.3Very high95.6Very high149 Ų14940 Ų4070%0.69621%0.21SC*.EExtended strand (participates in β ladder)trans-106.7144.5174-63.2-171.9164.800110.7I63 H64 N65 V69I63-E67 CarbonylContact C-O 3.59Å; I63-E67 WeakPolarHBondContact CA-O 3.2Å; H64-E67 PolarHBondContact N-O 2.99Å; H64-E67 PolarHBondContact O-N 3.26Å; N65-E67 PolarHBondContact O-N 3.3Å; E67-V69 PolarHBondContact O-N 2.82Å
68K94.9Very high95.2Very high134 Ų13445.4 Ų45.458%0.58323%0.233SC*.EExtended strand (participates in β ladder)trans-70.3124.6175-173.1177.8-178.3-1710109.2C62C62-K68 WeakPolarHBondContact O-CA 3.43Å
69V96.3Very high94.9Very high4 Ų446.1 Ų46.12%0.02424%0.237CC..PPolyproline II helixtrans-72.6132.6174.51750000108.8H57 K61 C62 H64 E67H57-V69 PolarHBondContact NE2-O 2.83Å; K61-V69 HydrophobicContact CB-CG2 3.98Å; K61-V69 VanDerWaalsContact O-CB 3.24Å; K61-V69 WeakPolarHBondContact O-CB 3.13Å; K61-V69 WeakPolarHBondContact O-CG1 3.14Å; C62-V69 PolarHBondContact O-N 3.19Å; H64-V69 HydrophobicContact CB-CG2 3.55Å; E67-V69 PolarHBondContact O-N 2.82Å
70P95.2Very high94.7Very high16 Ų1651.5 Ų51.510%0.10427%0.271CS..PPolyproline II helixtrans-69.8144.1178.724.8-29.6000111.4E74 L75 G143 I145P70-E74 HydrophobicContact CB-CB 3.82Å; P70-L75 HydrophobicContact CB-CD2 3.97Å; P70-L75 HydrophobicContact CG-CD2 3.6Å; P70-G143 WeakPolarHBondContact CG-O 3.33Å; P70-I145 HydrophobicContact CG-CG1 4.49Å
71V95.4Very high94.6Very high32 Ų3256.8 Ų56.819%0.19429%0.291CS..PPolyproline II helixtrans-74.2163.8163.1-57.30000110.3D56 H57 H73 E74D56-V71 HydrophobicContact CB-CB 4.01Å; D56-V71 HydrophobicContact CB-CG1 3.82Å; D56-V71 VanDerWaalsContact OD1-CA 3.25Å; D56-V71 WeakPolarHBondContact OD1-CA 3.48Å; H57-V71 WeakPolarHBondContact CE1-CG1 3.44Å; H57-V71 WeakPolarHBondContact NE2-CG1 3.28Å; V71-H73 VanDerWaalsContact C-N 3.3Å; V71-H73 PolarHBondContact O-N 3.25Å; V71-H73 VanDerWaalsContact O-N 3.12Å; V71-E74 HydrophobicContact CG2-CB 4.14Å; V71-E74 HydrophobicContact CG2-CG 3.72Å; V71-E74 WeakPolarHBondContact O-CB 3.34Å; V71-E74 PolarHBondContact O-N 3.23Å
72C96.2Very high94.6Very high0 Ų056.1 Ų56.10%029%0.289CS..THydrogen-bonded Turntrans-46.8-47.3-175.4-68.40000114.3D56 L75 F76 I172 V175D56-C72 PolarHBondContact OD1-N 3.47Å; D56-C72 PolarHBondContact OD1-SG 3.15Å; C72-L75 WeakPolarHBondContact O-CG 3.45Å; C72-F76 WeakPolarHBondContact O-CE2 3.34Å; C72-I172 HydrophobicContact CB-CB 4.44Å; C72-V175 HydrophobicContact CB-CB 4.39Å; C72-V175 HydrophobicContact CB-CG1 4.18Å
73H94.1Very high94.6Very high18 Ų1857.7 Ų57.78%0.08330%0.298CS..THydrogen-bonded Turntrans-73.3-26.9-178.4-68.185000114.1V71 L75 F76 W119 H123 G170 I172V71-H73 VanDerWaalsContact C-N 3.3Å; V71-H73 PolarHBondContact O-N 3.25Å; V71-H73 VanDerWaalsContact O-N 3.12Å; H73-L75 PolarHBondContact O-N 3.48Å; H73-F76 PolarHBondContact O-N 3.22Å; H73-W119 HydrophobicContact CB-CH2 4.18Å; H73-W119 HydrophobicContact CB-CZ3 3.82Å; H73-W119 AromaticContact CD2-CE3 3.79Å; H73-W119 AromaticContact CD2-CZ3 3.42Å; H73-W119 VanDerWaalsContact CD2-CZ3 3.42Å; H73-W119 WeakPolarHBondContact CD2-CZ3 3.28Å; H73-W119 AromaticContact CE1-CE3 3.97Å; H73-W119 AromaticContact CE1-CZ3 3.76Å; H73-W119 AromaticContact CG-CH2 3.91Å; H73-W119 AromaticContact CG-CZ3 3.34Å; H73-W119 AromaticContact ND1-CH2 3.87Å; H73-W119 AromaticContact ND1-CZ3 3.61Å; H73-W119 AromaticContact NE2-CE3 3.69Å; H73-W119 AromaticContact NE2-CZ3 3.69Å; H73-H123 AromaticContact NE2-CD2 3.83Å; H73-H123 AromaticContact NE2-NE2 3.43Å; H73-H123 PolarHBondContact NE2-NE2 3.34Å; H73-G170 PolarHBondContact CE1-O 3.39Å; H73-G170 VanDerWaalsContact CE1-O 3.29Å; H73-I172 VanDerWaalsContact CD2-CD1 3.46Å; H73-I172 WeakPolarHBondContact CD2-CD1 3.46Å; H73-I172 WeakPolarHBondContact NE2-CD1 3.3Å; H73-I172 WeakPolarHBondContact NE2-CG1 3.3Å
74E94.3Very high94.7Very high22 Ų2260.1 Ų60.110%0.10331%0.308CS..Hα-helixtrans-67.8-24.5179.5-79.7-171.8-154.300112.5P70 V71 F76 M77 K78P70-E74 HydrophobicContact CB-CB 3.82Å; V71-E74 HydrophobicContact CG2-CB 4.14Å; V71-E74 HydrophobicContact CG2-CG 3.72Å; V71-E74 WeakPolarHBondContact O-CB 3.34Å; V71-E74 PolarHBondContact O-N 3.23Å; E74-F76 PolarHBondContact O-N 2.81Å; E74-M77 HydrophobicContact CG-CE 4.02Å; E74-M77 PolarHBondContact O-N 3.24Å; E74-K78 PolarHBondContact O-N 3.38Å; E74-K78 IonicContact OE2-NZ 3.52Å; E74-K78 PolarHBondContact OE2-NZ 2.9Å
75L94.8Very high94.7Very high5 Ų563.2 Ų63.23%0.02633%0.325CS..Hα-helixtrans-53.7-44.4175-54.8-179.7000110.9P70 C72 H73 N79 V140 G143 I145 V175P70-L75 HydrophobicContact CB-CD2 3.97Å; P70-L75 HydrophobicContact CG-CD2 3.6Å; C72-L75 WeakPolarHBondContact O-CG 3.45Å; H73-L75 PolarHBondContact O-N 3.48Å; L75-N79 WeakPolarHBondContact O-CB 3.42Å; L75-N79 PolarHBondContact O-N 3.43Å; L75-N79 VanDerWaalsContact O-N 3.08Å; L75-V140 HydrophobicContact CD1-CG2 4.35Å; L75-G143 WeakPolarHBondContact CD2-O 3.43Å; L75-I145 HydrophobicContact CD1-CD1 3.68Å; L75-I145 HydrophobicContact CD1-CG1 4.17Å; L75-I145 HydrophobicContact CD2-CD1 3.97Å; L75-I145 HydrophobicContact CD2-CG1 3.64Å; L75-I145 HydrophobicContact CG-CD1 4.08Å; L75-I145 HydrophobicContact CG-CG1 4.32Å; L75-V175 HydrophobicContact CD1-CG1 3.63Å; L75-V175 HydrophobicContact CD1-CG2 4.48Å
76F95.2Very high94.9Very high0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-77.2-28.8-175.1-52.2-55000113C72 H73 E74 K78 I82 R87 L90 L126 I136 C139 I172 V175 M197C72-F76 WeakPolarHBondContact O-CE2 3.34Å; H73-F76 PolarHBondContact O-N 3.22Å; E74-F76 PolarHBondContact O-N 2.81Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.44Å; F76-I82 HydrophobicContact CB-CG1 3.95Å; F76-I82 HydrophobicContact CD1-CD1 3.91Å; F76-I82 HydrophobicContact CD1-CG1 4.04Å; F76-I82 HydrophobicContact CG-CG1 4.48Å; F76-I82 WeakPolarHBondContact O-CB 3.49Å; F76-I82 WeakPolarHBondContact O-CG1 3.44Å; F76-R87 WeakPolarHBondContact O-CG 3.5Å; F76-L90 HydrophobicContact CB-CD1 4Å; F76-L126 HydrophobicContact CB-CD2 3.9Å; F76-L126 HydrophobicContact CD2-CD1 4.13Å; F76-L126 HydrophobicContact CG-CD1 4.47Å; F76-L126 HydrophobicContact CG-CD2 4.22Å; F76-I136 HydrophobicContact CD1-CD1 3.87Å; F76-I136 HydrophobicContact CE1-CB 4.44Å; F76-I136 HydrophobicContact CE1-CD1 3.39Å; F76-I136 HydrophobicContact CE1-CG1 4.47Å; F76-I136 HydrophobicContact CE1-CG2 4.05Å; F76-I136 HydrophobicContact CZ-CD1 3.9Å; F76-I136 HydrophobicContact CZ-CG2 4.08Å; F76-C139 HydrophobicContact CD1-CB 4Å; F76-C139 HydrophobicContact CE1-CB 3.85Å; F76-I172 HydrophobicContact CD2-CD1 4.05Å; F76-I172 HydrophobicContact CE2-CD1 3.4Å; F76-I172 HydrophobicContact CZ-CD1 4.37Å; F76-V175 HydrophobicContact CE2-CG2 4.07Å; F76-V175 HydrophobicContact CZ-CG2 3.6Å; F76-M197 HydrophobicContact CE2-CE 4.01Å; F76-M197 HydrophobicContact CZ-CE 3.95Å
77M93.3Very high95.2Very high27 Ų2754.1 Ų54.113%0.13326%0.263CS..Hα-helixtrans-67.9-31.5177.7-177.2173.35700112.1E74 L90 K91 H94E74-M77 HydrophobicContact CG-CE 4.02Å; E74-M77 PolarHBondContact O-N 3.24Å; M77-L90 HydrophobicContact CB-CB 4.38Å; M77-L90 HydrophobicContact CG-CB 4.46Å; M77-K91 HydrophobicContact CG-CB 4.06Å; M77-K91 VanDerWaalsContact SD-CA 3.54Å; M77-K91 HydrophobicContact SD-CB 3.8Å; M77-K91 HydrophobicContact SD-CG 4.24Å; M77-H94 HydrophobicContact SD-CB 4.23Å
78K88Confident95.3Very high131 Ų13151.7 Ų51.757%0.5725%0.254SS*.Hα-helixtrans-104.1-24-172.3-65.3170-179.8163.20113.9E74 F76E74-K78 PolarHBondContact O-N 3.38Å; E74-K78 IonicContact OE2-NZ 3.52Å; E74-K78 PolarHBondContact OE2-NZ 2.9Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.44Å
79N93.2Very high95.4Very high15 Ų1549.4 Ų49.48%0.0824%0.242CC..  trans-83.8124.3-171.8-170-52.4000113L75 R81 I82 R87 C139 E142L75-N79 WeakPolarHBondContact O-CB 3.42Å; L75-N79 PolarHBondContact O-N 3.43Å; L75-N79 VanDerWaalsContact O-N 3.08Å; N79-R81 PolarHBondContact O-N 3.22Å; N79-R81 VanDerWaalsContact OD1-CB 3.27Å; N79-R81 WeakPolarHBondContact OD1-CB 3.48Å; N79-R81 WeakPolarHBondContact OD1-CG 3.22Å; N79-R81 PolarHBondContact OD1-N 3.2Å; N79-I82 PolarHBondContact O-N 3.19Å; N79-R87 WeakPolarHBondContact O-CD 3.49Å; N79-C139 HydrophobicContact CB-CB 4.31Å; N79-C139 VanDerWaalsContact CB-SG 3.54Å; N79-E142 PolarHBondContact ND2-OE2 2.87Å
80P94.3Very high95.5Very high113 Ų11349.9 Ų49.973%0.73424%0.244SC*.THydrogen-bonded Turntrans-59.1-15.1180-25.334.9000116.7I82P80-I82 PolarHBondContact O-N 3.05Å
81R95.7Very high95.6Very high111 Ų11153.8 Ų53.842%0.41926%0.26SS..THydrogen-bonded Turntrans-63.9-26.7171.7-65.6-177178.4-64.2-3.4112.3N79 D135 E142N79-R81 PolarHBondContact O-N 3.22Å; N79-R81 VanDerWaalsContact OD1-CB 3.27Å; N79-R81 WeakPolarHBondContact OD1-CB 3.48Å; N79-R81 WeakPolarHBondContact OD1-CG 3.22Å; N79-R81 PolarHBondContact OD1-N 3.2Å; R81-D135 HydrophobicContact CB-CB 4.24Å; R81-E142 IonicContact CZ-OE1 2.84Å; R81-E142 VanDerWaalsContact CZ-OE1 3.23Å; R81-E142 IonicContact CZ-OE2 3.73Å; R81-E142 VanDerWaalsContact NE-CD 3.29Å; R81-E142 IonicContact NE-OE1 3.15Å; R81-E142 PolarHBondContact NE-OE1 2.78Å; R81-E142 IonicContact NE-OE2 3.79Å; R81-E142 PolarHBondContact NE-OE2 3.26Å; R81-E142 IonicContact NH2-OE1 3.99Å; R81-E142 PolarHBondContact NH2-OE1 2.83Å; R81-E142 IonicContact NH2-OE2 2.77Å
82I97.3Very high95.7Very high1 Ų157.7 Ų57.71%0.00528%0.276CS..SBendtrans-83.2130.2174.8-54.6-53.6000109.1F76 N79 P80 E84 R87 L126 V131 D135 I136F76-I82 HydrophobicContact CB-CG1 3.95Å; F76-I82 HydrophobicContact CD1-CD1 3.91Å; F76-I82 HydrophobicContact CD1-CG1 4.04Å; F76-I82 HydrophobicContact CG-CG1 4.48Å; F76-I82 WeakPolarHBondContact O-CB 3.49Å; F76-I82 WeakPolarHBondContact O-CG1 3.44Å; N79-I82 PolarHBondContact O-N 3.19Å; P80-I82 PolarHBondContact O-N 3.05Å; I82-E84 PolarHBondContact O-N 2.86Å; I82-R87 HydrophobicContact CB-CG 3.87Å; I82-R87 HydrophobicContact CG2-CG 3.83Å; I82-R87 WeakPolarHBondContact O-CD 3.23Å; I82-R87 PolarHBondContact O-NE 3.14Å; I82-L126 HydrophobicContact CG2-CD2 4.15Å; I82-V131 HydrophobicContact CD1-CG1 3.61Å; I82-V131 HydrophobicContact CD1-CG2 4.1Å; I82-V131 HydrophobicContact CG2-CG2 4.39Å; I82-D135 HydrophobicContact CD1-CB 4.5Å; I82-I136 HydrophobicContact CD1-CD1 4.39Å
83P96.9Very high95.7Very high46 Ų4658 Ų5830%0.29928%0.277SS..  trans-50.7140.4177.6-28.835.8000112.2I85 S86 R87 G129P83-I85 HydrophobicContact CB-CG2 4.16Å; P83-I85 PolarHBondContact O-N 3Å; P83-S86 WeakPolarHBondContact O-CB 3.26Å; P83-S86 PolarHBondContact O-N 3.19Å; P83-R87 PolarHBondContact O-N 3.08Å; P83-G129 WeakPolarHBondContact CG-O 3.48Å
84E97.1Very high95.8Very high125 Ų12559.6 Ų59.658%0.58429%0.285SS*.Hα-helixtrans-55.5-40.1-176.4-176.2169.6-140.800113I82 S86 R87 L88I82-E84 PolarHBondContact O-N 2.86Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.22Å; E84-R87 VanDerWaalsContact CA-NH2 3.33Å; E84-R87 VanDerWaalsContact CB-NH2 3.32Å; E84-R87 PolarHBondContact O-N 2.97Å; E84-L88 HydrophobicContact CG-CD1 3.92Å; E84-L88 HydrophobicContact CG-CG 4.16Å; E84-L88 WeakPolarHBondContact O-CB 3.44Å; E84-L88 WeakPolarHBondContact O-CG 3.47Å; E84-L88 PolarHBondContact O-N 3.25Å
85I96.7Very high95.9Very high126 Ų12662.5 Ų62.565%0.64630%0.301SS*.Hα-helixtrans-58.3-43.4177.4-171.362000112.2P83 R89P83-I85 HydrophobicContact CB-CG2 4.16Å; P83-I85 PolarHBondContact O-N 3Å; I85-R89 WeakPolarHBondContact O-CB 3.42Å; I85-R89 PolarHBondContact O-N 3.09Å
86S97.6Very high95.9Very high4 Ų468.4 Ų68.43%0.02833%0.327CS..Hα-helixtrans-68.6-42.7177.4-60.10000111P83 E84 R89 L90 A125 G129P83-S86 WeakPolarHBondContact O-CB 3.26Å; P83-S86 PolarHBondContact O-N 3.19Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.22Å; S86-R89 PolarHBondContact O-N 3.48Å; S86-L90 WeakPolarHBondContact O-CB 3.47Å; S86-L90 VanDerWaalsContact O-CG 3.24Å; S86-L90 WeakPolarHBondContact O-CG 3.42Å; S86-L90 PolarHBondContact O-N 3.3Å; S86-A125 WeakPolarHBondContact CB-O 3.43Å; S86-A125 PolarHBondContact OG-O 2.79Å; S86-G129 WeakPolarHBondContact OG-CA 3.49Å
87R97.5Very high96Very high58 Ų5869 Ų6922%0.21933%0.329CS..Hα-helixtrans-60.1-47.2177-70.2-169-74.397.5-2.1112.7F76 N79 I82 P83 E84 R89 L90 K91F76-R87 WeakPolarHBondContact O-CG 3.5Å; N79-R87 WeakPolarHBondContact O-CD 3.49Å; I82-R87 HydrophobicContact CB-CG 3.87Å; I82-R87 HydrophobicContact CG2-CG 3.83Å; I82-R87 WeakPolarHBondContact O-CD 3.23Å; I82-R87 PolarHBondContact O-NE 3.14Å; P83-R87 PolarHBondContact O-N 3.08Å; E84-R87 VanDerWaalsContact CA-NH2 3.33Å; E84-R87 VanDerWaalsContact CB-NH2 3.32Å; E84-R87 PolarHBondContact O-N 2.97Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-L90 PolarHBondContact O-N 2.67Å; R87-K91 WeakPolarHBondContact O-CB 3.35Å; R87-K91 PolarHBondContact O-N 2.95Å
88L97.3Very high95.9Very high97 Ų9770 Ų7051%0.50834%0.337SS..Hα-helixtrans-63.3-41.8178.1-69.5176.4000111.1E84 K91 E92E84-L88 HydrophobicContact CG-CD1 3.92Å; E84-L88 HydrophobicContact CG-CG 4.16Å; E84-L88 WeakPolarHBondContact O-CB 3.44Å; E84-L88 WeakPolarHBondContact O-CG 3.47Å; E84-L88 PolarHBondContact O-N 3.25Å; L88-K91 PolarHBondContact O-N 2.63Å; L88-E92 WeakPolarHBondContact O-CB 3.47Å; L88-E92 PolarHBondContact O-N 3.38Å
89R97.8Very high96.2Very high86 Ų8667.3 Ų67.333%0.32533%0.332SS..Hα-helixtrans-65.2-43.9176.7-177.556.5177.9166.12.7112.5I85 S86 R87 K91 E92 L93 A125I85-R89 WeakPolarHBondContact O-CB 3.42Å; I85-R89 PolarHBondContact O-N 3.09Å; S86-R89 PolarHBondContact O-N 3.48Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R89-K91 VanDerWaalsContact C-N 3.29Å; R89-K91 PolarHBondContact O-N 2.83Å; R89-E92 WeakPolarHBondContact CD-OE2 2.99Å; R89-E92 IonicContact CZ-OE2 3.02Å; R89-E92 IonicContact NH1-OE1 3.72Å; R89-E92 PolarHBondContact NH1-OE1 3.44Å; R89-E92 IonicContact NH1-OE2 4Å; R89-E92 PolarHBondContact NH1-OE2 3.44Å; R89-E92 PolarHBondContact O-N 3.17Å; R89-L93 HydrophobicContact CG-CD1 4.11Å; R89-L93 WeakPolarHBondContact O-CB 3.48Å; R89-L93 VanDerWaalsContact O-CG 3.24Å; R89-L93 WeakPolarHBondContact O-CG 3.39Å; R89-L93 PolarHBondContact O-N 3.47Å; R89-A125 HydrophobicContact CB-CB 4.07Å; R89-A125 HydrophobicContact CG-CB 3.65Å
90L97.5Very high96.2Very high14 Ų1468.7 Ų68.77%0.07334%0.34CS..Hα-helixtrans-59.5-42.2174.8-72.8170.7000111.2F76 M77 S86 R87 L93 H94 A122 A125 L126F76-L90 HydrophobicContact CB-CD1 4Å; M77-L90 HydrophobicContact CB-CB 4.38Å; M77-L90 HydrophobicContact CG-CB 4.46Å; S86-L90 WeakPolarHBondContact O-CB 3.47Å; S86-L90 VanDerWaalsContact O-CG 3.24Å; S86-L90 WeakPolarHBondContact O-CG 3.42Å; S86-L90 PolarHBondContact O-N 3.3Å; R87-L90 PolarHBondContact O-N 2.67Å; L90-L93 PolarHBondContact O-N 2.99Å; L90-H94 VanDerWaalsContact O-CB 3.26Å; L90-H94 WeakPolarHBondContact O-CB 3.32Å; L90-H94 PolarHBondContact O-N 2.96Å; L90-A122 HydrophobicContact CD2-CB 3.72Å; L90-A122 WeakPolarHBondContact CD2-O 3.32Å; L90-A125 HydrophobicContact CD2-CB 4.39Å; L90-A125 HydrophobicContact CG-CB 4.47Å; L90-L126 HydrophobicContact CD1-CD2 3.83Å; L90-L126 HydrophobicContact CD1-CG 4.27Å
91K96.5Very high96Very high99 Ų9965.5 Ų65.543%0.4332%0.315SS..Hα-helixtrans-63.6-46.5176.6179.7165.9174.943.80112.7M77 R87 L88 R89 L93 H94 D95M77-K91 HydrophobicContact CG-CB 4.06Å; M77-K91 VanDerWaalsContact SD-CA 3.54Å; M77-K91 HydrophobicContact SD-CB 3.8Å; M77-K91 HydrophobicContact SD-CG 4.24Å; R87-K91 WeakPolarHBondContact O-CB 3.35Å; R87-K91 PolarHBondContact O-N 2.95Å; L88-K91 PolarHBondContact O-N 2.63Å; R89-K91 VanDerWaalsContact C-N 3.29Å; R89-K91 PolarHBondContact O-N 2.83Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.5Å; K91-H94 PolarHBondContact O-N 3.13Å; K91-D95 IonicContact NZ-OD1 2.8Å; K91-D95 IonicContact NZ-OD2 4Å; K91-D95 PolarHBondContact NZ-OD2 2.96Å; K91-D95 WeakPolarHBondContact O-CB 3.31Å; K91-D95 PolarHBondContact O-N 3.1Å
92E97.6Very high95.4Very high114 Ų11465.4 Ų65.453%0.53333%0.327SS..Hα-helixtrans-57.7-46.9176.3-174.7-163.2165.600111.4L88 R89 D95 F96L88-E92 WeakPolarHBondContact O-CB 3.47Å; L88-E92 PolarHBondContact O-N 3.38Å; R89-E92 WeakPolarHBondContact CD-OE2 2.99Å; R89-E92 IonicContact CZ-OE2 3.02Å; R89-E92 IonicContact NH1-OE1 3.72Å; R89-E92 PolarHBondContact NH1-OE1 3.44Å; R89-E92 IonicContact NH1-OE2 4Å; R89-E92 PolarHBondContact NH1-OE2 3.44Å; R89-E92 PolarHBondContact O-N 3.17Å; E92-D95 PolarHBondContact O-N 2.94Å; E92-F96 WeakPolarHBondContact O-CB 3.28Å; E92-F96 PolarHBondContact O-N 2.97Å; E92-F96 VanDerWaalsContact O-N 3.13Å
93L97.7Very high95.1Very high5 Ų566.6 Ų66.63%0.02634%0.335CS..Hα-helixtrans-63.7-45.6177.6-68.4169.3000111.6R89 L90 K91 F96 Y97 F118 L121 A122R89-L93 HydrophobicContact CG-CD1 4.11Å; R89-L93 WeakPolarHBondContact O-CB 3.48Å; R89-L93 VanDerWaalsContact O-CG 3.24Å; R89-L93 WeakPolarHBondContact O-CG 3.39Å; R89-L93 PolarHBondContact O-N 3.47Å; L90-L93 PolarHBondContact O-N 2.99Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.5Å; L93-F96 PolarHBondContact O-N 2.95Å; L93-Y97 HydrophobicContact CB-CD2 4.4Å; L93-Y97 HydrophobicContact CD2-CD2 4.15Å; L93-Y97 HydrophobicContact CD2-CE2 3.74Å; L93-Y97 WeakPolarHBondContact O-CB 3.4Å; L93-Y97 WeakPolarHBondContact O-CD2 3.15Å; L93-Y97 PolarHBondContact O-N 3.41Å; L93-F118 HydrophobicContact CB-CD2 3.9Å; L93-F118 HydrophobicContact CB-CE2 3.62Å; L93-L121 HydrophobicContact CD1-CB 3.74Å; L93-L121 HydrophobicContact CD2-CB 3.78Å; L93-L121 HydrophobicContact CD2-CD1 3.77Å; L93-L121 HydrophobicContact CD2-CG 4.42Å; L93-L121 HydrophobicContact CG-CB 4.45Å; L93-A122 HydrophobicContact CD1-CB 4.27Å
94H95.3Very high94.5Very high53 Ų5370.5 Ų70.525%0.24536%0.362CS..Hα-helixtrans-57.9-50.5177.2172.8-77.2000111.4M77 L90 K91 F96 Y97 V98 F118M77-H94 HydrophobicContact SD-CB 4.23Å; L90-H94 VanDerWaalsContact O-CB 3.26Å; L90-H94 WeakPolarHBondContact O-CB 3.32Å; L90-H94 PolarHBondContact O-N 2.96Å; K91-H94 PolarHBondContact O-N 3.13Å; H94-F96 PolarHBondContact O-N 3.21Å; H94-Y97 PolarHBondContact O-N 2.98Å; H94-V98 VanDerWaalsContact O-CB 3.31Å; H94-V98 WeakPolarHBondContact O-CB 3.42Å; H94-V98 VanDerWaalsContact O-CG2 3.31Å; H94-V98 WeakPolarHBondContact O-CG2 3.19Å; H94-V98 PolarHBondContact O-N 2.7Å; H94-V98 VanDerWaalsContact O-N 3.11Å; H94-F118 HydrophobicContact CB-CZ 4.43Å
95D95.6Very high94.2Very high83 Ų8371.8 Ų71.844%0.44437%0.373SS..Hα-helixtrans-64.9-26.5-177.5-66.7-13.1000111.9K91 E92K91-D95 IonicContact NZ-OD1 2.8Å; K91-D95 IonicContact NZ-OD2 4Å; K91-D95 PolarHBondContact NZ-OD2 2.96Å; K91-D95 WeakPolarHBondContact O-CB 3.31Å; K91-D95 PolarHBondContact O-N 3.1Å; E92-D95 PolarHBondContact O-N 2.94Å
96F96.5Very high93.9Very high128 Ų12867.2 Ų67.256%0.56135%0.35SS*.Hα-helixtrans-84-49.7175.5-177.6-98.7000113.8E92 L93 H94 L100E92-F96 WeakPolarHBondContact O-CB 3.28Å; E92-F96 PolarHBondContact O-N 2.97Å; E92-F96 VanDerWaalsContact O-N 3.13Å; L93-F96 PolarHBondContact O-N 2.95Å; H94-F96 PolarHBondContact O-N 3.21Å; F96-L100 HydrophobicContact CD1-CD1 4.28Å; F96-L100 HydrophobicContact CE1-CD1 3.9Å; F96-L100 HydrophobicContact CZ-CD1 4.3Å; F96-L100 WeakPolarHBondContact O-CG 3.24Å
97Y96.3Very high93.6Very high13 Ų1375.7 Ų75.75%0.05138%0.382CS..Hα-helixtrans-88-32.9-168-77.2-78.5000114.5L93 H94 L100 E101 L114 M115 E117 F118 L121L93-Y97 HydrophobicContact CB-CD2 4.4Å; L93-Y97 HydrophobicContact CD2-CD2 4.15Å; L93-Y97 HydrophobicContact CD2-CE2 3.74Å; L93-Y97 WeakPolarHBondContact O-CB 3.4Å; L93-Y97 WeakPolarHBondContact O-CD2 3.15Å; L93-Y97 PolarHBondContact O-N 3.41Å; H94-Y97 PolarHBondContact O-N 2.98Å; Y97-L100 HydrophobicContact CD1-CD1 4.26Å; Y97-L100 WeakPolarHBondContact O-CA 3.48Å; Y97-L100 WeakPolarHBondContact O-CB 3.34Å; Y97-L100 PolarHBondContact O-N 3.18Å; Y97-E101 PolarHBondContact O-N 3.46Å; Y97-E101 VanDerWaalsContact O-N 3.17Å; Y97-L114 HydrophobicContact CD1-CB 4.47Å; Y97-L114 HydrophobicContact CE1-CB 4.47Å; Y97-L114 HydrophobicContact CE1-CD2 4.15Å; Y97-M115 HydrophobicContact CD1-CE 4.44Å; Y97-E117 WeakPolarHBondContact OH-CG 3.33Å; Y97-E117 PolarHBondContact OH-OE1 3.49Å; Y97-E117 PolarHBondContact OH-OE2 3.29Å; Y97-F118 HydrophobicContact CD1-CB 3.71Å; Y97-F118 HydrophobicContact CD1-CG 4.29Å; Y97-F118 HydrophobicContact CD2-CB 3.75Å; Y97-F118 AromaticContact CD2-CD2 3.49Å; Y97-F118 HydrophobicContact CD2-CD2 3.49Å; Y97-F118 VanDerWaalsContact CD2-CD2 3.49Å; Y97-F118 HydrophobicContact CD2-CE2 4.33Å; Y97-F118 AromaticContact CD2-CG 3.73Å; Y97-F118 HydrophobicContact CD2-CG 3.73Å; Y97-F118 HydrophobicContact CE1-CB 4.19Å; Y97-F118 HydrophobicContact CE2-CB 4.25Å; Y97-F118 HydrophobicContact CE2-CD2 4.33Å; Y97-F118 HydrophobicContact CG-CB 3.47Å; Y97-F118 VanDerWaalsContact CG-CB 3.47Å; Y97-F118 HydrophobicContact CG-CD1 4.2Å; Y97-F118 AromaticContact CG-CD2 3.83Å; Y97-F118 HydrophobicContact CG-CD2 3.83Å; Y97-F118 AromaticContact CG-CG 3.56Å; Y97-F118 HydrophobicContact CG-CG 3.56Å; Y97-L121 HydrophobicContact CE2-CD1 4.19Å
98V92.3Very high93.1Very high48 Ų4878.8 Ų78.829%0.29140%0.399SS..Hα-helixtrans-60.1-40.7-177.4171.80000112.8H94 L100 E101 F118H94-V98 VanDerWaalsContact O-CB 3.31Å; H94-V98 WeakPolarHBondContact O-CB 3.42Å; H94-V98 VanDerWaalsContact O-CG2 3.31Å; H94-V98 WeakPolarHBondContact O-CG2 3.19Å; H94-V98 PolarHBondContact O-N 2.7Å; H94-V98 VanDerWaalsContact O-N 3.11Å; V98-L100 PolarHBondContact O-N 3.28Å; V98-E101 WeakPolarHBondContact O-CB 3.14Å; V98-E101 PolarHBondContact O-N 3.47Å; V98-F118 HydrophobicContact CG2-CE1 4.1Å; V98-F118 HydrophobicContact CG2-CZ 4.33Å
99P93.3Very high92.7Very high74 Ų7478.4 Ų78.448%0.48140%0.404SS..Hα-helixtrans-60.8-30.5172.5-25.536.2000113.9S103P99-S103 PolarHBondContact O-N 2.94Å
100L93.9Very high92.5Very high44 Ų4479.1 Ų79.123%0.2341%0.411CS..Hα-helixtrans-75.6-33.2-178.5-53177.7000111.9F96 Y97 V98 T102 S103 I106 L114F96-L100 HydrophobicContact CD1-CD1 4.28Å; F96-L100 HydrophobicContact CE1-CD1 3.9Å; F96-L100 HydrophobicContact CZ-CD1 4.3Å; F96-L100 WeakPolarHBondContact O-CG 3.24Å; Y97-L100 HydrophobicContact CD1-CD1 4.26Å; Y97-L100 WeakPolarHBondContact O-CA 3.48Å; Y97-L100 WeakPolarHBondContact O-CB 3.34Å; Y97-L100 PolarHBondContact O-N 3.18Å; V98-L100 PolarHBondContact O-N 3.28Å; L100-T102 VanDerWaalsContact C-N 3.26Å; L100-T102 PolarHBondContact O-N 3.23Å; L100-S103 PolarHBondContact O-N 3.48Å; L100-I106 HydrophobicContact CB-CD1 3.9Å; L100-I106 HydrophobicContact CD2-CD1 3.85Å; L100-I106 HydrophobicContact CG-CD1 4.42Å; L100-L114 HydrophobicContact CB-CD1 4.46Å; L100-L114 HydrophobicContact CD1-CD1 4.33Å
101E90.1Very high92.4Very high47 Ų4780 Ų8022%0.2241%0.414CS..Hα-helixtrans-54.4-44.5177.1-173.8174.4-171.300111.7Y97 V98 K111 M115 S215Y97-E101 PolarHBondContact O-N 3.46Å; Y97-E101 VanDerWaalsContact O-N 3.17Å; V98-E101 WeakPolarHBondContact O-CB 3.14Å; V98-E101 PolarHBondContact O-N 3.47Å; E101-K111 PolarHBondContact O-NZ 2.95Å; E101-K111 VanDerWaalsContact O-NZ 3.14Å; E101-M115 HydrophobicContact CB-CE 3.87Å; E101-M115 HydrophobicContact CB-SD 3.66Å; E101-M115 HydrophobicContact CG-CE 4.48Å; E101-M115 HydrophobicContact CG-CG 4.45Å; E101-M115 HydrophobicContact CG-SD 3.64Å; E101-S215 WeakPolarHBondContact OE1-CB 3.49Å; E101-S215 PolarHBondContact OE1-OG 3.37Å
102T83.4Confident92.1Very high109 Ų10978.4 Ų78.467%0.66941%0.41SS*.Hα-helixtrans-97-2.1-175.959.20000114L100 C104L100-T102 VanDerWaalsContact C-N 3.26Å; L100-T102 PolarHBondContact O-N 3.23Å; T102-C104 PolarHBondContact O-N 3.29Å
103S89.2Confident92Very high26 Ų2676.8 Ų76.818%0.18241%0.411CS..  trans-61.2131.9-177.4177.50000112.7P99 L100 D105 K111P99-S103 PolarHBondContact O-N 2.94Å; L100-S103 PolarHBondContact O-N 3.48Å; S103-D105 PolarHBondContact O-N 3.06Å; S103-D105 PolarHBondContact OG-N 2.97Å; S103-K111 WeakPolarHBondContact O-CE 3.34Å; S103-K111 PolarHBondContact O-NZ 2.81Å
104C85.8Confident91.9Very high128 Ų12878.1 Ų78.187%0.86542%0.418SS*.THydrogen-bonded Turntrans-77.4-11.4173.8-65.70000113.2T102T102-C104 PolarHBondContact O-N 3.29Å
105D90.4Very high92Very high152 Ų15275.6 Ų75.681%0.81341%0.407SS*.THydrogen-bonded Turntrans-93.1-2.4-172-58.8-41.9000113.3S103S103-D105 PolarHBondContact O-N 3.06Å; S103-D105 PolarHBondContact OG-N 2.97Å
106I90.6Very high92Very high30 Ų3074.1 Ų74.115%0.15440%0.398CS..SBendtrans-113.2131.7-175.8-54.9176.7000109.5L100 E110 K111 L114L100-I106 HydrophobicContact CB-CD1 3.9Å; L100-I106 HydrophobicContact CD2-CD1 3.85Å; L100-I106 HydrophobicContact CG-CD1 4.42Å; I106-E110 HydrophobicContact CG2-CB 3.76Å; I106-E110 HydrophobicContact CG2-CG 3.69Å; I106-K111 HydrophobicContact CB-CG 3.93Å; I106-K111 HydrophobicContact CG2-CG 3.61Å; I106-K111 VanDerWaalsContact O-CE 3.31Å; I106-K111 WeakPolarHBondContact O-CE 3.3Å; I106-L114 HydrophobicContact CD1-CD1 4.22Å; I106-L114 HydrophobicContact CG2-CD1 4.23Å
107Y91.2Very high92Very high181 Ų18172.4 Ų72.471%0.7139%0.392SS*.  trans-65.2149.5176.5-67-75.7000111.8C109 E110 K111Y107-C109 VanDerWaalsContact C-N 3.31Å; Y107-C109 PolarHBondContact O-N 2.98Å; Y107-E110 PolarHBondContact O-N 2.89Å; Y107-K111 PolarHBondContact O-N 3.34Å
108E86.9Confident92Very high123 Ų12372.1 Ų72.158%0.57539%0.39SS*.Hα-helixtrans-57.6-39.6-176.7-170.8168.1-157.500113.1E110 K111 L112E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.14Å; E108-K111 PolarHBondContact O-N 2.76Å; E108-L112 WeakPolarHBondContact O-CG 3.45Å; E108-L112 PolarHBondContact O-N 2.8Å
109C89.2Confident92.2Very high90 Ų9071.4 Ų71.461%0.60838%0.383SS*.Hα-helixtrans-65.2-35.2177.159.70000113.6Y107 S113Y107-C109 VanDerWaalsContact C-N 3.31Å; Y107-C109 PolarHBondContact O-N 2.98Å; C109-S113 PolarHBondContact O-N 2.84Å; C109-S113 PolarHBondContact O-OG 3.26Å
110E93.9Very high92.4Very high100 Ų10073.1 Ų73.147%0.46738%0.382SS..Hα-helixtrans-73.2-42.6176.6-176.9176.3-173.500110.3I106 Y107 E108 L112 S113 L114I106-E110 HydrophobicContact CG2-CB 3.76Å; I106-E110 HydrophobicContact CG2-CG 3.69Å; Y107-E110 PolarHBondContact O-N 2.89Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.14Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 2.78Å; E110-S113 WeakPolarHBondContact O-CB 3.45Å; E110-S113 PolarHBondContact O-N 2.71Å; E110-S113 VanDerWaalsContact O-N 3.11Å; E110-L114 HydrophobicContact CG-CD1 4.11Å; E110-L114 WeakPolarHBondContact O-CG 3.35Å; E110-L114 PolarHBondContact O-N 3.34Å
111K93.5Very high92.6Very high34 Ų3473.3 Ų73.315%0.14838%0.383CS..Hα-helixtrans-57.4-43.2173.1-68.1-174.7176.2-1680112.7E101 S103 I106 Y107 E108 S113 L114 M115 L216E101-K111 PolarHBondContact O-NZ 2.95Å; E101-K111 VanDerWaalsContact O-NZ 3.14Å; S103-K111 WeakPolarHBondContact O-CE 3.34Å; S103-K111 PolarHBondContact O-NZ 2.81Å; I106-K111 HydrophobicContact CB-CG 3.93Å; I106-K111 HydrophobicContact CG2-CG 3.61Å; I106-K111 VanDerWaalsContact O-CE 3.31Å; I106-K111 WeakPolarHBondContact O-CE 3.3Å; Y107-K111 PolarHBondContact O-N 3.34Å; E108-K111 PolarHBondContact O-N 2.76Å; K111-S113 VanDerWaalsContact C-N 3.28Å; K111-S113 PolarHBondContact O-N 2.94Å; K111-L114 PolarHBondContact O-N 2.76Å; K111-M115 WeakPolarHBondContact O-CB 3.39Å; K111-M115 VanDerWaalsContact O-CG 3.31Å; K111-M115 WeakPolarHBondContact O-CG 3.38Å; K111-M115 PolarHBondContact O-N 3.37Å; K111-L216 HydrophobicContact CB-CD1 3.56Å; K111-L216 HydrophobicContact CD-CD1 4.4Å
112L92.1Very high92.9Very high64 Ų6471.1 Ų71.134%0.33537%0.374SS..Hα-helixtrans-55.2-46.1175.5-76.7168.6000111.2E108 E110 M115 M116 L216 N217E108-L112 WeakPolarHBondContact O-CG 3.45Å; E108-L112 PolarHBondContact O-N 2.8Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 2.78Å; L112-M115 PolarHBondContact O-N 3.08Å; L112-M116 WeakPolarHBondContact O-CB 3.39Å; L112-M116 PolarHBondContact O-N 3.11Å; L112-L216 HydrophobicContact CD2-CB 3.53Å; L112-L216 WeakPolarHBondContact CD2-O 3.47Å; L112-L216 HydrophobicContact CG-CB 4.4Å; L112-N217 HydrophobicContact CD2-CB 4.48Å
113S94.6Very high93.6Very high81 Ų8166.4 Ų66.457%0.56634%0.344SS*.Hα-helixtrans-66.8-41.9179.7-57.30000112.1C109 E110 K111 M116 E117C109-S113 PolarHBondContact O-N 2.84Å; C109-S113 PolarHBondContact O-OG 3.26Å; E110-S113 WeakPolarHBondContact O-CB 3.45Å; E110-S113 PolarHBondContact O-N 2.71Å; E110-S113 VanDerWaalsContact O-N 3.11Å; K111-S113 VanDerWaalsContact C-N 3.28Å; K111-S113 PolarHBondContact O-N 2.94Å; S113-M116 PolarHBondContact O-N 2.97Å; S113-E117 PolarHBondContact O-N 3.07Å
114L96.2Very high94Very high32 Ų3270.4 Ų70.417%0.16836%0.358CS..Hα-helixtrans-65-41.2177.2-70.5168.9000112.2Y97 L100 I106 E110 K111 E117 F118Y97-L114 HydrophobicContact CD1-CB 4.47Å; Y97-L114 HydrophobicContact CE1-CB 4.47Å; Y97-L114 HydrophobicContact CE1-CD2 4.15Å; L100-L114 HydrophobicContact CB-CD1 4.46Å; L100-L114 HydrophobicContact CD1-CD1 4.33Å; I106-L114 HydrophobicContact CD1-CD1 4.22Å; I106-L114 HydrophobicContact CG2-CD1 4.23Å; E110-L114 HydrophobicContact CG-CD1 4.11Å; E110-L114 WeakPolarHBondContact O-CG 3.35Å; E110-L114 PolarHBondContact O-N 3.34Å; K111-L114 PolarHBondContact O-N 2.76Å; L114-E117 PolarHBondContact O-N 3.12Å; L114-F118 WeakPolarHBondContact O-CB 3.19Å; L114-F118 PolarHBondContact O-N 2.92Å
115M95.9Very high94.6Very high1 Ų164.7 Ų64.71%0.00532%0.32CS..Hα-helixtrans-67.7-39.2176.9-68.4-57.297.200111.7Y97 E101 K111 L112 E117 F118 W119 H214 L216Y97-M115 HydrophobicContact CD1-CE 4.44Å; E101-M115 HydrophobicContact CB-CE 3.87Å; E101-M115 HydrophobicContact CB-SD 3.66Å; E101-M115 HydrophobicContact CG-CE 4.48Å; E101-M115 HydrophobicContact CG-CG 4.45Å; E101-M115 HydrophobicContact CG-SD 3.64Å; K111-M115 WeakPolarHBondContact O-CB 3.39Å; K111-M115 VanDerWaalsContact O-CG 3.31Å; K111-M115 WeakPolarHBondContact O-CG 3.38Å; K111-M115 PolarHBondContact O-N 3.37Å; L112-M115 PolarHBondContact O-N 3.08Å; M115-E117 VanDerWaalsContact C-N 3.35Å; M115-F118 HydrophobicContact CE-CD1 4.42Å; M115-F118 PolarHBondContact O-N 3.04Å; M115-F118 HydrophobicContact SD-CD1 4.37Å; M115-W119 PolarHBondContact O-N 3.19Å; M115-W119 VanDerWaalsContact O-N 3.1Å; M115-H214 HydrophobicContact CB-CB 4.47Å; M115-H214 WeakPolarHBondContact CB-ND1 3.26Å; M115-L216 HydrophobicContact CG-CD1 3.92Å; M115-L216 HydrophobicContact CG-CG 4.5Å
116M95.7Very high94.9Very high52 Ų5257.4 Ų57.426%0.25628%0.281SS..Hα-helixtrans-60.2-44.3172.6-179.160.560.300111.7L112 S113 K120 V212L112-M116 WeakPolarHBondContact O-CB 3.39Å; L112-M116 PolarHBondContact O-N 3.11Å; S113-M116 PolarHBondContact O-N 2.97Å; M116-K120 HydrophobicContact CG-CD 4.32Å; M116-K120 WeakPolarHBondContact O-CB 3.48Å; M116-K120 VanDerWaalsContact O-CG 3.29Å; M116-K120 WeakPolarHBondContact O-CG 3.3Å; M116-K120 PolarHBondContact O-N 2.86Å; M116-K120 HydrophobicContact SD-CD 4.17Å; M116-K120 VanDerWaalsContact SD-CE 3.54Å; M116-K120 HydrophobicContact SD-CG 4.46Å; M116-V212 HydrophobicContact CE-CB 4.16Å; M116-V212 HydrophobicContact SD-CB 3.79Å; M116-V212 HydrophobicContact SD-CG1 4.29Å; M116-V212 HydrophobicContact SD-CG2 4.23Å
117E96.8Very high95.3Very high92 Ų9257.8 Ų57.843%0.4329%0.285SS..Hα-helixtrans-63.3-49.1175.7-172.4-173.4-167.600111.7Y97 S113 L114 M115 W119 K120 L121Y97-E117 WeakPolarHBondContact OH-CG 3.33Å; Y97-E117 PolarHBondContact OH-OE1 3.49Å; Y97-E117 PolarHBondContact OH-OE2 3.29Å; S113-E117 PolarHBondContact O-N 3.07Å; L114-E117 PolarHBondContact O-N 3.12Å; M115-E117 VanDerWaalsContact C-N 3.35Å; E117-W119 PolarHBondContact O-N 3.01Å; E117-K120 PolarHBondContact O-N 2.84Å; E117-L121 HydrophobicContact CG-CD1 3.89Å; E117-L121 HydrophobicContact CG-CG 4.36Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.42Å
118F97.1Very high95.6Very high6 Ų654.1 Ų54.13%0.02628%0.277CS..Hα-helixtrans-51.8-55.4-179.8176.5-155.4000111.4L93 H94 Y97 V98 L114 M115 K120 L121 A122L93-F118 HydrophobicContact CB-CD2 3.9Å; L93-F118 HydrophobicContact CB-CE2 3.62Å; H94-F118 HydrophobicContact CB-CZ 4.43Å; Y97-F118 HydrophobicContact CD1-CB 3.71Å; Y97-F118 HydrophobicContact CD1-CG 4.29Å; Y97-F118 HydrophobicContact CD2-CB 3.75Å; Y97-F118 AromaticContact CD2-CD2 3.49Å; Y97-F118 HydrophobicContact CD2-CD2 3.49Å; Y97-F118 VanDerWaalsContact CD2-CD2 3.49Å; Y97-F118 HydrophobicContact CD2-CE2 4.33Å; Y97-F118 AromaticContact CD2-CG 3.73Å; Y97-F118 HydrophobicContact CD2-CG 3.73Å; Y97-F118 HydrophobicContact CE1-CB 4.19Å; Y97-F118 HydrophobicContact CE2-CB 4.25Å; Y97-F118 HydrophobicContact CE2-CD2 4.33Å; Y97-F118 HydrophobicContact CG-CB 3.47Å; Y97-F118 VanDerWaalsContact CG-CB 3.47Å; Y97-F118 HydrophobicContact CG-CD1 4.2Å; Y97-F118 AromaticContact CG-CD2 3.83Å; Y97-F118 HydrophobicContact CG-CD2 3.83Å; Y97-F118 AromaticContact CG-CG 3.56Å; Y97-F118 HydrophobicContact CG-CG 3.56Å; V98-F118 HydrophobicContact CG2-CE1 4.1Å; V98-F118 HydrophobicContact CG2-CZ 4.33Å; L114-F118 WeakPolarHBondContact O-CB 3.19Å; L114-F118 PolarHBondContact O-N 2.92Å; M115-F118 HydrophobicContact CE-CD1 4.42Å; M115-F118 PolarHBondContact O-N 3.04Å; M115-F118 HydrophobicContact SD-CD1 4.37Å; F118-K120 PolarHBondContact O-N 2.97Å; F118-L121 PolarHBondContact O-N 3.43Å; F118-A122 HydrophobicContact CE2-CB 4.4Å; F118-A122 WeakPolarHBondContact O-CB 3.45Å; F118-A122 PolarHBondContact O-N 2.87Å
119W96.7Very high96.1Very high34 Ų3448.9 Ų48.913%0.12926%0.257CS..Hα-helixtrans-70-35.1-175-67.2117.6000112.5H73 M115 E117 L121 A122 H123 V212 H214H73-W119 HydrophobicContact CB-CH2 4.18Å; H73-W119 HydrophobicContact CB-CZ3 3.82Å; H73-W119 AromaticContact CD2-CE3 3.79Å; H73-W119 AromaticContact CD2-CZ3 3.42Å; H73-W119 VanDerWaalsContact CD2-CZ3 3.42Å; H73-W119 WeakPolarHBondContact CD2-CZ3 3.28Å; H73-W119 AromaticContact CE1-CE3 3.97Å; H73-W119 AromaticContact CE1-CZ3 3.76Å; H73-W119 AromaticContact CG-CH2 3.91Å; H73-W119 AromaticContact CG-CZ3 3.34Å; H73-W119 AromaticContact ND1-CH2 3.87Å; H73-W119 AromaticContact ND1-CZ3 3.61Å; H73-W119 AromaticContact NE2-CE3 3.69Å; H73-W119 AromaticContact NE2-CZ3 3.69Å; M115-W119 PolarHBondContact O-N 3.19Å; M115-W119 VanDerWaalsContact O-N 3.1Å; E117-W119 PolarHBondContact O-N 3.01Å; W119-L121 VanDerWaalsContact C-N 3.34Å; W119-L121 PolarHBondContact O-N 2.74Å; W119-A122 HydrophobicContact CE3-CB 4.12Å; W119-A122 PolarHBondContact O-N 3.3Å; W119-H123 VanDerWaalsContact O-CB 3.29Å; W119-H123 WeakPolarHBondContact O-CB 3.39Å; W119-H123 PolarHBondContact O-CD2 2.9Å; W119-H123 VanDerWaalsContact O-CD2 3.24Å; W119-H123 PolarHBondContact O-N 2.79Å; W119-V212 HydrophobicContact CB-CG1 3.68Å; W119-H214 HydrophobicContact CG-CB 4.46Å
120K97.2Very high96.4Very high109 Ų10949 Ų4947%0.47425%0.251SS..Hα-helixtrans-60-43.4171.2-78-179.6172.3177.70112.2M116 E117 F118 K124 V212M116-K120 HydrophobicContact CG-CD 4.32Å; M116-K120 WeakPolarHBondContact O-CB 3.48Å; M116-K120 VanDerWaalsContact O-CG 3.29Å; M116-K120 WeakPolarHBondContact O-CG 3.3Å; M116-K120 PolarHBondContact O-N 2.86Å; M116-K120 HydrophobicContact SD-CD 4.17Å; M116-K120 VanDerWaalsContact SD-CE 3.54Å; M116-K120 HydrophobicContact SD-CG 4.46Å; E117-K120 PolarHBondContact O-N 2.84Å; F118-K120 PolarHBondContact O-N 2.97Å; K120-K124 VanDerWaalsContact O-CB 3.24Å; K120-K124 WeakPolarHBondContact O-CB 3.28Å; K120-K124 PolarHBondContact O-N 3.45Å; K120-V212 HydrophobicContact CG-CG2 4.06Å
121L97.9Very high96.5Very high48 Ų4844.2 Ų44.225%0.25123%0.229SC..Hα-helixtrans-67.2-40176.7-70173.8000111.9L93 Y97 E117 F118 W119 K124 A125L93-L121 HydrophobicContact CD1-CB 3.74Å; L93-L121 HydrophobicContact CD2-CB 3.78Å; L93-L121 HydrophobicContact CD2-CD1 3.77Å; L93-L121 HydrophobicContact CD2-CG 4.42Å; L93-L121 HydrophobicContact CG-CB 4.45Å; Y97-L121 HydrophobicContact CE2-CD1 4.19Å; E117-L121 HydrophobicContact CG-CD1 3.89Å; E117-L121 HydrophobicContact CG-CG 4.36Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.42Å; F118-L121 PolarHBondContact O-N 3.43Å; W119-L121 VanDerWaalsContact C-N 3.34Å; W119-L121 PolarHBondContact O-N 2.74Å; L121-K124 PolarHBondContact O-N 3.24Å; L121-A125 PolarHBondContact O-N 2.85Å
122A97.4Very high96.7Very high2 Ų243.3 Ų43.32%0.01723%0.227CC..Hα-helixtrans-66.1-45.9178.500000111.7L90 L93 F118 W119 K124 A125 L126L90-A122 HydrophobicContact CD2-CB 3.72Å; L90-A122 WeakPolarHBondContact CD2-O 3.32Å; L93-A122 HydrophobicContact CD1-CB 4.27Å; F118-A122 HydrophobicContact CE2-CB 4.4Å; F118-A122 WeakPolarHBondContact O-CB 3.45Å; F118-A122 PolarHBondContact O-N 2.87Å; W119-A122 HydrophobicContact CE3-CB 4.12Å; W119-A122 PolarHBondContact O-N 3.3Å; A122-K124 VanDerWaalsContact C-N 3.35Å; A122-K124 PolarHBondContact O-N 3.49Å; A122-A125 WeakPolarHBondContact O-CB 3.34Å; A122-A125 PolarHBondContact O-N 2.86Å; A122-L126 PolarHBondContact O-N 2.8Å
123H97.8Very high96.9Very high9 Ų945.2 Ų45.24%0.04223%0.229CC..Hα-helixtrans-60.5-44.8174.5-68.2175.1000111.1H73 W119 A125 L126 V127 F208H73-H123 AromaticContact NE2-CD2 3.83Å; H73-H123 AromaticContact NE2-NE2 3.43Å; H73-H123 PolarHBondContact NE2-NE2 3.34Å; W119-H123 VanDerWaalsContact O-CB 3.29Å; W119-H123 WeakPolarHBondContact O-CB 3.39Å; W119-H123 PolarHBondContact O-CD2 2.9Å; W119-H123 VanDerWaalsContact O-CD2 3.24Å; W119-H123 PolarHBondContact O-N 2.79Å; H123-A125 VanDerWaalsContact C-N 3.32Å; H123-A125 PolarHBondContact O-N 3.01Å; H123-L126 WeakPolarHBondContact O-CB 3.37Å; H123-L126 PolarHBondContact O-N 3.45Å; H123-V127 WeakPolarHBondContact O-CG2 3.32Å; H123-V127 PolarHBondContact O-N 2.96Å; H123-V127 VanDerWaalsContact O-N 3.13Å; H123-F208 HydrophobicContact CB-CB 4.48Å; H123-F208 HydrophobicContact CB-CD2 3.42Å; H123-F208 VanDerWaalsContact CB-CD2 3.42Å; H123-F208 HydrophobicContact CB-CE2 3.6Å; H123-F208 HydrophobicContact CB-CG 3.93Å; H123-F208 HydrophobicContact CB-CZ 4.26Å; H123-F208 AromaticContact CD2-CE1 3.95Å; H123-F208 AromaticContact CD2-CZ 3.99Å; H123-F208 AromaticContact CG-CD1 3.9Å; H123-F208 AromaticContact CG-CD2 3.66Å; H123-F208 AromaticContact CG-CE2 3.85Å; H123-F208 AromaticContact CG-CG 3.67Å; H123-F208 AromaticContact ND1-CD1 3.84Å; H123-F208 AromaticContact ND1-CG 3.6Å
124K97.6Very high97Very high110 Ų11047.3 Ų47.348%0.47823%0.234SC..Hα-helixtrans-60.1-39.4175.2177.9166.1175.5490112.6K120 L121 A122 L126 V127 D128K120-K124 VanDerWaalsContact O-CB 3.24Å; K120-K124 WeakPolarHBondContact O-CB 3.28Å; K120-K124 PolarHBondContact O-N 3.45Å; L121-K124 PolarHBondContact O-N 3.24Å; A122-K124 VanDerWaalsContact C-N 3.35Å; A122-K124 PolarHBondContact O-N 3.49Å; K124-L126 PolarHBondContact O-N 2.88Å; K124-V127 PolarHBondContact O-N 2.88Å; K124-D128 VanDerWaalsContact CE-OD2 3.23Å; K124-D128 WeakPolarHBondContact CE-OD2 3.23Å; K124-D128 WeakPolarHBondContact CG-OD2 3.42Å; K124-D128 IonicContact NZ-OD1 2.76Å; K124-D128 PolarHBondContact NZ-OD1 2.99Å; K124-D128 IonicContact NZ-OD2 2.76Å; K124-D128 PolarHBondContact NZ-OD2 2.92Å; K124-D128 WeakPolarHBondContact O-CB 3.2Å; K124-D128 VanDerWaalsContact O-CG 3.3Å; K124-D128 PolarHBondContact O-N 3Å
125A97.8Very high97Very high8 Ų847.6 Ų47.67%0.06624%0.236CC..Hα-helixtrans-61.5-32.2177.700000112.9S86 R89 L90 L121 A122 H123 G129S86-A125 WeakPolarHBondContact CB-O 3.43Å; S86-A125 PolarHBondContact OG-O 2.79Å; R89-A125 HydrophobicContact CB-CB 4.07Å; R89-A125 HydrophobicContact CG-CB 3.65Å; L90-A125 HydrophobicContact CD2-CB 4.39Å; L90-A125 HydrophobicContact CG-CB 4.47Å; L121-A125 PolarHBondContact O-N 2.85Å; A122-A125 WeakPolarHBondContact O-CB 3.34Å; A122-A125 PolarHBondContact O-N 2.86Å; H123-A125 VanDerWaalsContact C-N 3.32Å; H123-A125 PolarHBondContact O-N 3.01Å; A125-G129 PolarHBondContact O-N 3.04Å
126L97.5Very high96.9Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-73.4-43.3173.9-68.4170.8000111.8F76 I82 L90 A122 H123 K124 G129 V131 M197 L205 F208F76-L126 HydrophobicContact CB-CD2 3.9Å; F76-L126 HydrophobicContact CD2-CD1 4.13Å; F76-L126 HydrophobicContact CG-CD1 4.47Å; F76-L126 HydrophobicContact CG-CD2 4.22Å; I82-L126 HydrophobicContact CG2-CD2 4.15Å; L90-L126 HydrophobicContact CD1-CD2 3.83Å; L90-L126 HydrophobicContact CD1-CG 4.27Å; A122-L126 PolarHBondContact O-N 2.8Å; H123-L126 WeakPolarHBondContact O-CB 3.37Å; H123-L126 PolarHBondContact O-N 3.45Å; K124-L126 PolarHBondContact O-N 2.88Å; L126-G129 PolarHBondContact O-N 2.91Å; L126-V131 HydrophobicContact CD2-CG2 4.4Å; L126-V131 WeakPolarHBondContact O-CG2 3.48Å; L126-M197 HydrophobicContact CD1-CE 4.27Å; L126-L205 HydrophobicContact CB-CD2 3.57Å; L126-F208 HydrophobicContact CD1-CE2 4.4Å; L126-F208 HydrophobicContact CD1-CZ 3.95Å
127V97.7Very high96.9Very high38 Ų3847.4 Ų47.423%0.2324%0.236CC..Hα-helixtrans-61.4-50.2176.6175.30000110.9H123 K124 G129 N130 L205 F208H123-V127 WeakPolarHBondContact O-CG2 3.32Å; H123-V127 PolarHBondContact O-N 2.96Å; H123-V127 VanDerWaalsContact O-N 3.13Å; K124-V127 PolarHBondContact O-N 2.88Å; V127-G129 PolarHBondContact O-N 3.26Å; V127-G129 VanDerWaalsContact O-N 3.15Å; V127-N130 PolarHBondContact O-N 3.04Å; V127-L205 HydrophobicContact CG2-CD2 4.25Å; V127-L205 HydrophobicContact CG2-CG 4.01Å; V127-F208 HydrophobicContact CG2-CD2 4.48Å
128D97.7Very high96.8Very high104 Ų10443.6 Ų43.656%0.55622%0.222SC*.Hα-helixtrans-63.5-22.3179.8-68.5-12.4000112K124 N130K124-D128 VanDerWaalsContact CE-OD2 3.23Å; K124-D128 WeakPolarHBondContact CE-OD2 3.23Å; K124-D128 WeakPolarHBondContact CG-OD2 3.42Å; K124-D128 IonicContact NZ-OD1 2.76Å; K124-D128 PolarHBondContact NZ-OD1 2.99Å; K124-D128 IonicContact NZ-OD2 2.76Å; K124-D128 PolarHBondContact NZ-OD2 2.92Å; K124-D128 WeakPolarHBondContact O-CB 3.2Å; K124-D128 VanDerWaalsContact O-CG 3.3Å; K124-D128 PolarHBondContact O-N 3Å; D128-N130 VanDerWaalsContact C-N 3.27Å; D128-N130 PolarHBondContact O-N 2.86Å
129G97Very high96.8Very high13 Ų1343.3 Ų43.313%0.13422%0.22CC..THydrogen-bonded Turntrans-73.6-9.7172.700000115P83 S86 A125 L126 V127 V131P83-G129 WeakPolarHBondContact CG-O 3.48Å; S86-G129 WeakPolarHBondContact OG-CA 3.49Å; A125-G129 PolarHBondContact O-N 3.04Å; L126-G129 PolarHBondContact O-N 2.91Å; V127-G129 PolarHBondContact O-N 3.26Å; V127-G129 VanDerWaalsContact O-N 3.15Å; G129-V131 PolarHBondContact O-N 2.75Å
130N96.2Very high96.7Very high91 Ų9142.1 Ų42.149%0.48722%0.217SC..THydrogen-bonded Turntrans56.436.6-175.3-167.534.3000113.5V127 D128 R204V127-N130 PolarHBondContact O-N 3.04Å; D128-N130 VanDerWaalsContact C-N 3.27Å; D128-N130 PolarHBondContact O-N 2.86Å; N130-R204 PolarHBondContact O-NH1 2.86Å; N130-R204 WeakPolarHBondContact OD1-CD 3.41Å
131V97Very high96.4Very high1 Ų142.9 Ų42.91%0.00623%0.225CC..  trans-62.6137.2179.4-179.10000110.1I82 L126 G129 D135 I136 L205I82-V131 HydrophobicContact CD1-CG1 3.61Å; I82-V131 HydrophobicContact CD1-CG2 4.1Å; I82-V131 HydrophobicContact CG2-CG2 4.39Å; L126-V131 HydrophobicContact CD2-CG2 4.4Å; L126-V131 WeakPolarHBondContact O-CG2 3.48Å; G129-V131 PolarHBondContact O-N 2.75Å; V131-D135 HydrophobicContact CG1-CB 3.86Å; V131-I136 HydrophobicContact CG1-CD1 3.56Å; V131-I136 HydrophobicContact CG1-CG1 3.89Å; V131-L205 WeakPolarHBondContact O-CB 3.5Å; V131-L205 PolarHBondContact O-N 3.08Å
132S96.7Very high96.2Very high15 Ų1545.5 Ų45.511%0.10524%0.236CC..BIsolated β-bridgetrans-95.4159.8176.174.10000112.6N134 D135 I136 G203S132-N134 PolarHBondContact O-N 2.81Å; S132-D135 WeakPolarHBondContact CB-OD2 3.45Å; S132-D135 PolarHBondContact N-OD2 3.44Å; S132-D135 WeakPolarHBondContact O-CB 3.37Å; S132-D135 PolarHBondContact O-N 3Å; S132-D135 PolarHBondContact OG-N 3.37Å; S132-D135 PolarHBondContact OG-OD2 3.45Å; S132-I136 PolarHBondContact O-N 2.81Å; S132-I136 VanDerWaalsContact O-N 3.09Å; S132-G203 CarbonylContact C-O 3.48Å; S132-G203 VanDerWaalsContact CA-O 3.26Å; S132-G203 WeakPolarHBondContact CA-O 3.34Å
133R96.7Very high95.8Very high103 Ų10346.2 Ų46.239%0.38924%0.244SC..Hα-helixtrans-53.1-41.3171.5179.9178.3-69.7-87.74.4111.9D135 I136 D137 F199 G203R133-D135 VanDerWaalsContact C-N 3.29Å; R133-D135 PolarHBondContact O-N 3.01Å; R133-I136 WeakPolarHBondContact O-CB 3.48Å; R133-I136 PolarHBondContact O-N 3.39Å; R133-I136 VanDerWaalsContact O-N 3.17Å; R133-D137 VanDerWaalsContact O-CG 3.25Å; R133-D137 PolarHBondContact O-N 3.47Å; R133-F199 VanDerWaalsContact CA-CE1 3.49Å; R133-F199 HydrophobicContact CB-CD1 3.88Å; R133-F199 HydrophobicContact CB-CE1 3.73Å; R133-F199 HydrophobicContact CB-CG 4.48Å; R133-F199 HydrophobicContact CB-CZ 4.18Å; R133-F199 HydrophobicContact CG-CE1 4.48Å; R133-F199 HydrophobicContact CG-CZ 4.46Å; R133-G203 PolarHBondContact N-O 3.14Å
134N95.9Very high95.6Very high126 Ų12647.9 Ų47.967%0.67426%0.263SS*.Hα-helixtrans-64-34.8177.8-67.6-17000112.4S132 G138S132-N134 PolarHBondContact O-N 2.81Å; N134-G138 PolarHBondContact O-N 3.48Å
135D95.8Very high95.5Very high38 Ų3843.5 Ų43.520%0.20325%0.245CC..Hα-helixtrans-67.2-42.7175.2-58.3-47.4000110.3R81 I82 V131 S132 R133 C139R81-D135 HydrophobicContact CB-CB 4.24Å; I82-D135 HydrophobicContact CD1-CB 4.5Å; V131-D135 HydrophobicContact CG1-CB 3.86Å; S132-D135 WeakPolarHBondContact CB-OD2 3.45Å; S132-D135 PolarHBondContact N-OD2 3.44Å; S132-D135 WeakPolarHBondContact O-CB 3.37Å; S132-D135 PolarHBondContact O-N 3Å; S132-D135 PolarHBondContact OG-N 3.37Å; S132-D135 PolarHBondContact OG-OD2 3.45Å; R133-D135 VanDerWaalsContact C-N 3.29Å; R133-D135 PolarHBondContact O-N 3.01Å; D135-C139 WeakPolarHBondContact O-CB 3.42Å; D135-C139 PolarHBondContact O-N 2.84Å; D135-C139 PolarHBondContact O-SG 3.31Å
136I95.8Very high95.4Very high1 Ų145.2 Ų45.21%0.00525%0.254CS..Hα-helixtrans-61.1-55.3175.6-60.6-60.1000110.6F76 I82 V131 S132 R133 G138 C139 V140 M197 F199F76-I136 HydrophobicContact CD1-CD1 3.87Å; F76-I136 HydrophobicContact CE1-CB 4.44Å; F76-I136 HydrophobicContact CE1-CD1 3.39Å; F76-I136 HydrophobicContact CE1-CG1 4.47Å; F76-I136 HydrophobicContact CE1-CG2 4.05Å; F76-I136 HydrophobicContact CZ-CD1 3.9Å; F76-I136 HydrophobicContact CZ-CG2 4.08Å; I82-I136 HydrophobicContact CD1-CD1 4.39Å; V131-I136 HydrophobicContact CG1-CD1 3.56Å; V131-I136 HydrophobicContact CG1-CG1 3.89Å; S132-I136 PolarHBondContact O-N 2.81Å; S132-I136 VanDerWaalsContact O-N 3.09Å; R133-I136 WeakPolarHBondContact O-CB 3.48Å; R133-I136 PolarHBondContact O-N 3.39Å; R133-I136 VanDerWaalsContact O-N 3.17Å; I136-G138 VanDerWaalsContact C-N 3.27Å; I136-G138 PolarHBondContact O-N 2.92Å; I136-C139 WeakPolarHBondContact O-CA 3.35Å; I136-C139 VanDerWaalsContact O-CB 3.28Å; I136-C139 WeakPolarHBondContact O-CB 3.33Å; I136-C139 PolarHBondContact O-N 3.24Å; I136-V140 WeakPolarHBondContact O-CG2 3.47Å; I136-V140 PolarHBondContact O-N 2.66Å; I136-M197 HydrophobicContact CD1-CE 3.72Å; I136-M197 HydrophobicContact CD1-SD 3.98Å; I136-M197 HydrophobicContact CG1-CE 4.34Å; I136-M197 HydrophobicContact CG1-SD 3.92Å; I136-M197 HydrophobicContact CG2-CE 4.47Å; I136-M197 HydrophobicContact CG2-SD 4Å; I136-F199 HydrophobicContact CG1-CE1 4.36Å; I136-F199 HydrophobicContact CG1-CZ 4.19Å
137D94.4Very high95.5Very high48 Ų4845.9 Ų45.926%0.25726%0.258SS..Hα-helixtrans-59.3-41.6-178.2-62.8-14.9000110.8R133 C139 V140 L141R133-D137 VanDerWaalsContact O-CG 3.25Å; R133-D137 PolarHBondContact O-N 3.47Å; D137-C139 PolarHBondContact O-N 3.19Å; D137-V140 PolarHBondContact O-N 3.1Å; D137-L141 WeakPolarHBondContact O-CG 3.44Å; D137-L141 PolarHBondContact O-N 2.98Å
138G95.3Very high95.5Very high12 Ų1244.3 Ų44.312%0.12425%0.248CC..Hα-helixtrans-60-42.2172.700000112.8N134 I136 V140 L141 E142N134-G138 PolarHBondContact O-N 3.48Å; I136-G138 VanDerWaalsContact C-N 3.27Å; I136-G138 PolarHBondContact O-N 2.92Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 3.37Å; G138-L141 PolarHBondContact O-N 3.3Å; G138-E142 VanDerWaalsContact O-CB 3.3Å; G138-E142 WeakPolarHBondContact O-CB 3.44Å; G138-E142 VanDerWaalsContact O-CG 3.25Å; G138-E142 WeakPolarHBondContact O-CG 3.23Å; G138-E142 PolarHBondContact O-N 2.92Å
139C96Very high95.4Very high0 Ų043.2 Ų43.20%024%0.242CC..Hα-helixtrans-62.2-37.8174.8-70.40000112.6F76 N79 D135 I136 D137 G143F76-C139 HydrophobicContact CD1-CB 4Å; F76-C139 HydrophobicContact CE1-CB 3.85Å; N79-C139 HydrophobicContact CB-CB 4.31Å; N79-C139 VanDerWaalsContact CB-SG 3.54Å; D135-C139 WeakPolarHBondContact O-CB 3.42Å; D135-C139 PolarHBondContact O-N 2.84Å; D135-C139 PolarHBondContact O-SG 3.31Å; I136-C139 WeakPolarHBondContact O-CA 3.35Å; I136-C139 VanDerWaalsContact O-CB 3.28Å; I136-C139 WeakPolarHBondContact O-CB 3.33Å; I136-C139 PolarHBondContact O-N 3.24Å; D137-C139 PolarHBondContact O-N 3.19Å; C139-G143 WeakPolarHBondContact O-CA 3.37Å; C139-G143 PolarHBondContact O-N 3.37Å
140V95.3Very high95.4Very high9 Ų945.5 Ų45.56%0.05525%0.251CS..Hα-helixtrans-67.4-47.5178.1-176.60000111L75 I136 D137 G138 E142 G143 V175 T178 V179L75-V140 HydrophobicContact CD1-CG2 4.35Å; I136-V140 WeakPolarHBondContact O-CG2 3.47Å; I136-V140 PolarHBondContact O-N 2.66Å; D137-V140 PolarHBondContact O-N 3.1Å; G138-V140 VanDerWaalsContact C-N 3.32Å; G138-V140 PolarHBondContact O-N 3.37Å; V140-E142 VanDerWaalsContact C-N 3.33Å; V140-E142 PolarHBondContact O-N 3.28Å; V140-G143 PolarHBondContact O-N 3.21Å; V140-V175 HydrophobicContact CG1-CG1 4.22Å; V140-V175 HydrophobicContact CG2-CB 4.12Å; V140-V175 HydrophobicContact CG2-CG1 3.94Å; V140-V175 HydrophobicContact CG2-CG2 3.82Å; V140-T178 HydrophobicContact CB-CG2 4.05Å; V140-T178 HydrophobicContact CG1-CG2 3.73Å; V140-V179 HydrophobicContact CG1-CG2 3.52Å
141L91.7Very high95.4Very high124 Ų12441.2 Ų41.265%0.64923%0.228SC*.Hα-helixtrans-66.7-33.6-178.4-65.1174.7000112.7D137 G138D137-L141 WeakPolarHBondContact O-CG 3.44Å; D137-L141 PolarHBondContact O-N 2.98Å; G138-L141 PolarHBondContact O-N 3.3Å
142E93.5Very high95.4Very high103 Ų10343 Ų4348%0.48124%0.239SC..Hα-helixtrans-91.3-18.2179.8-66.3165.1-177.800113.3N79 R81 G138 V140 G144N79-E142 PolarHBondContact ND2-OE2 2.87Å; R81-E142 IonicContact CZ-OE1 2.84Å; R81-E142 VanDerWaalsContact CZ-OE1 3.23Å; R81-E142 IonicContact CZ-OE2 3.73Å; R81-E142 VanDerWaalsContact NE-CD 3.29Å; R81-E142 IonicContact NE-OE1 3.15Å; R81-E142 PolarHBondContact NE-OE1 2.78Å; R81-E142 IonicContact NE-OE2 3.79Å; R81-E142 PolarHBondContact NE-OE2 3.26Å; R81-E142 IonicContact NH2-OE1 3.99Å; R81-E142 PolarHBondContact NH2-OE1 2.83Å; R81-E142 IonicContact NH2-OE2 2.77Å; G138-E142 VanDerWaalsContact O-CB 3.3Å; G138-E142 WeakPolarHBondContact O-CB 3.44Å; G138-E142 VanDerWaalsContact O-CG 3.25Å; G138-E142 WeakPolarHBondContact O-CG 3.23Å; G138-E142 PolarHBondContact O-N 2.92Å; V140-E142 VanDerWaalsContact C-N 3.33Å; V140-E142 PolarHBondContact O-N 3.28Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 2.95Å
143G89.1Confident95.4Very high18 Ų1846.2 Ų46.219%0.18626%0.255CS..THydrogen-bonded Turntrans-81-6.1-162.900000115.2P70 L75 C139 V140P70-G143 WeakPolarHBondContact CG-O 3.33Å; L75-G143 WeakPolarHBondContact CD2-O 3.43Å; C139-G143 WeakPolarHBondContact O-CA 3.37Å; C139-G143 PolarHBondContact O-N 3.37Å; V140-G143 PolarHBondContact O-N 3.21Å
144G92.2Very high95.4Very high43 Ų4341.3 Ų41.344%0.44324%0.237SC..THydrogen-bonded Turntrans74.825.6168.700000115.3E142 V146E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 2.95Å; G144-V146 PolarHBondContact O-N 3.35Å
145I96.6Very high95.5Very high19 Ų1935.3 Ų35.310%0.09721%0.205CC..  trans-68.2123.5164.9-59.4-170.6000108.2F55 P70 L75 V175 V179F55-I145 HydrophobicContact CE1-CD1 4.44Å; F55-I145 HydrophobicContact CE1-CG2 4.09Å; F55-I145 HydrophobicContact CZ-CG2 4.13Å; P70-I145 HydrophobicContact CG-CG1 4.49Å; L75-I145 HydrophobicContact CD1-CD1 3.68Å; L75-I145 HydrophobicContact CD1-CG1 4.17Å; L75-I145 HydrophobicContact CD2-CD1 3.97Å; L75-I145 HydrophobicContact CD2-CG1 3.64Å; L75-I145 HydrophobicContact CG-CD1 4.08Å; L75-I145 HydrophobicContact CG-CG1 4.32Å; I145-V175 HydrophobicContact CD1-CG1 3.81Å; I145-V179 HydrophobicContact CB-CG2 4.02Å; I145-V179 HydrophobicContact CD1-CG2 4.26Å; I145-V179 HydrophobicContact CG2-CG1 3.98Å; I145-V179 HydrophobicContact CG2-CG2 4.09Å
146V96.4Very high95.5Very high43 Ų4336.5 Ų36.526%0.26121%0.211SC..  trans-120.9127.9180-176.90000108.8S60 K61 G144S60-V146 CarbonylContact C-O 3.52Å; S60-V146 WeakPolarHBondContact CA-O 3.35Å; K61-V146 HydrophobicContact CD-CG1 4.06Å; K61-V146 PolarHBondContact N-O 3.47Å; G144-V146 PolarHBondContact O-N 3.35Å
147L97.7Very high95.5Very high15 Ų1539.3 Ų39.38%0.07922%0.224CC..BIsolated β-bridgetrans-68.7148.6174-61.3-178.3000111F55 L59 K61 A151 T152 V179 L180F55-L147 HydrophobicContact CE2-CD2 4Å; F55-L147 HydrophobicContact CZ-CD2 4.26Å; L59-L147 HydrophobicContact CG-CD2 4.32Å; K61-L147 VanDerWaalsContact CE-O 3.27Å; K61-L147 WeakPolarHBondContact CE-O 3.24Å; L147-A151 HydrophobicContact CB-CB 4.16Å; L147-T152 HydrophobicContact CD1-CG2 3.94Å; L147-V179 HydrophobicContact CD2-CG1 3.96Å; L147-V179 HydrophobicContact CG-CG1 4.21Å; L147-L180 HydrophobicContact CD1-CD2 4.09Å; L147-L180 HydrophobicContact CD2-CD2 4.41Å
148R97.7Very high95.6Very high4 Ų437 Ų372%0.01521%0.211CC..PPolyproline II helixtrans-57150.3170.1-73.8-163.7-164.7-93.5-7.8110.3H57 T58 L59 K61 N150 A151 N272 D293 E294 F296H57-R148 PolarHBondContact O-NH2 2.83Å; T58-R148 VanDerWaalsContact O-CD 3.26Å; T58-R148 WeakPolarHBondContact O-CD 3.39Å; T58-R148 PolarHBondContact O-NE 3.34Å; L59-R148 PolarHBondContact O-N 3.39Å; K61-R148 HydrophobicContact CG-CB 4.4Å; K61-R148 HydrophobicContact CG-CG 3.98Å; R148-N150 PolarHBondContact O-N 3.24Å; R148-A151 HydrophobicContact CB-CB 4.33Å; R148-A151 WeakPolarHBondContact O-CB 3.41Å; R148-A151 PolarHBondContact O-N 3Å; R148-A151 VanDerWaalsContact O-N 3.07Å; R148-N272 PolarHBondContact NH2-OD1 3.37Å; R148-D293 VanDerWaalsContact NH1-C 3.31Å; R148-D293 PolarHBondContact NH1-O 3.01Å; R148-E294 IonicContact CZ-OE2 3.23Å; R148-E294 IonicContact NH1-OE1 2.94Å; R148-E294 IonicContact NH1-OE2 2.99Å; R148-E294 PolarHBondContact NH1-OE2 3.37Å; R148-E294 VanDerWaalsContact NH1-OE2 3.15Å; R148-F296 HydrophobicContact CB-CD2 3.52Å; R148-F296 HydrophobicContact CB-CE2 3.89Å; R148-F296 HydrophobicContact CG-CD2 4.15Å; R148-F296 HydrophobicContact CG-CE2 4.11Å
149N96.6Very high95.7Very high82 Ų8237.8 Ų37.844%0.43922%0.216SC..BIsolated β-bridgetrans-57.9140.4177.1-64.2-11.8000109.4K61 A151 E294 T295 F296K61-N149 WeakPolarHBondContact CE-OD1 3.43Å; K61-N149 PolarHBondContact NZ-OD1 2.86Å; N149-A151 PolarHBondContact O-N 2.97Å; N149-A151 VanDerWaalsContact O-N 3.12Å; N149-E294 PolarHBondContact N-O 3.03Å; N149-T295 HydrophobicContact CB-CG2 4.06Å; N149-T295 CarbonylContact O-C 3.6Å; N149-T295 WeakPolarHBondContact O-CA 3.21Å; N149-F296 PolarHBondContact O-N 2.65Å
150N96.6Very high95.7Very high60 Ų6044.5 Ų44.532%0.32125%0.248SC..THydrogen-bonded Turntrans637.1-176.9-55.5-27.9000115.6R148 T152 D153 F154 D297 L300R148-N150 PolarHBondContact O-N 3.24Å; N150-T152 VanDerWaalsContact C-N 3.35Å; N150-D153 PolarHBondContact O-N 2.95Å; N150-F154 WeakPolarHBondContact O-CB 3.09Å; N150-F154 PolarHBondContact O-N 3.33Å; N150-D297 PolarHBondContact ND2-OD1 3.36Å; N150-L300 HydrophobicContact CB-CD2 4.31Å
151A97.5Very high95.7Very high1 Ų145.7 Ų45.71%0.00825%0.254CS..Hα-helixtrans-64-41.1172.700000111.4L59 L147 R148 N149 D153 F154 V155 F296L59-A151 HydrophobicContact CD1-CB 3.92Å; L59-A151 HydrophobicContact CG-CB 4.46Å; L147-A151 HydrophobicContact CB-CB 4.16Å; R148-A151 HydrophobicContact CB-CB 4.33Å; R148-A151 WeakPolarHBondContact O-CB 3.41Å; R148-A151 PolarHBondContact O-N 3Å; R148-A151 VanDerWaalsContact O-N 3.07Å; N149-A151 PolarHBondContact O-N 2.97Å; N149-A151 VanDerWaalsContact O-N 3.12Å; A151-D153 VanDerWaalsContact C-N 3.32Å; A151-D153 PolarHBondContact O-N 3.09Å; A151-F154 WeakPolarHBondContact O-CB 3.23Å; A151-F154 PolarHBondContact O-N 3.45Å; A151-V155 WeakPolarHBondContact O-CG2 3.45Å; A151-V155 PolarHBondContact O-N 3.08Å; A151-F296 HydrophobicContact CB-CD2 3.9Å; A151-F296 HydrophobicContact CB-CE2 4.29Å; A151-F296 HydrophobicContact CB-CG 4.2Å
152T96.5Very high95.9Very high39 Ų3943.8 Ų43.824%0.23925%0.25CS..Hα-helixtrans-60.2-42.9174.854.50000111.6L147 N150 V155 N156 V185L147-T152 HydrophobicContact CD1-CG2 3.94Å; N150-T152 VanDerWaalsContact C-N 3.35Å; T152-V155 PolarHBondContact O-N 2.77Å; T152-N156 WeakPolarHBondContact O-CB 3.48Å; T152-N156 PolarHBondContact O-N 3.29Å; T152-N156 PolarHBondContact O-ND2 2.85Å; T152-V185 HydrophobicContact CG2-CG2 3.78Å
153D95.9Very high96.1Very high82 Ų8238.9 Ų38.944%0.43923%0.228SC..Hα-helixtrans-66.5-40178.9-66.2-16.3000111.3N150 A151 K157 L300N150-D153 PolarHBondContact O-N 2.95Å; A151-D153 VanDerWaalsContact C-N 3.32Å; A151-D153 PolarHBondContact O-N 3.09Å; D153-K157 WeakPolarHBondContact O-CB 3.35Å; D153-K157 PolarHBondContact O-N 2.86Å; D153-L300 HydrophobicContact CB-CD2 4.3Å
154F97.4Very high96.5Very high0 Ų038.2 Ų38.20%022%0.22CC..Hα-helixtrans-59.1-51.2172.8178.3-102.5000111.9V51 N150 A151 N156 K157 L158 L240 F296 P299 L300 L303V51-F154 HydrophobicContact CG1-CE1 4.08Å; V51-F154 HydrophobicContact CG1-CZ 4Å; V51-F154 HydrophobicContact CG2-CZ 4.12Å; N150-F154 WeakPolarHBondContact O-CB 3.09Å; N150-F154 PolarHBondContact O-N 3.33Å; A151-F154 WeakPolarHBondContact O-CB 3.23Å; A151-F154 PolarHBondContact O-N 3.45Å; F154-N156 PolarHBondContact O-N 3.32Å; F154-K157 PolarHBondContact O-N 3.46Å; F154-L158 HydrophobicContact CD1-CD1 4.09Å; F154-L158 HydrophobicContact CE1-CD1 3.62Å; F154-L158 HydrophobicContact CE1-CG 4.43Å; F154-L158 HydrophobicContact CZ-CD1 3.93Å; F154-L158 HydrophobicContact CZ-CD2 4.49Å; F154-L158 HydrophobicContact CZ-CG 4.43Å; F154-L158 WeakPolarHBondContact O-CG 3.38Å; F154-L158 PolarHBondContact O-N 2.67Å; F154-L240 HydrophobicContact CE2-CD2 4.3Å; F154-L240 HydrophobicContact CZ-CD2 4.13Å; F154-F296 HydrophobicContact CB-CB 4.45Å; F154-F296 HydrophobicContact CB-CD1 4.14Å; F154-F296 AromaticContact CD1-CD1 3.78Å; F154-F296 HydrophobicContact CD1-CD1 3.78Å; F154-F296 AromaticContact CD1-CE1 3.97Å; F154-F296 HydrophobicContact CD1-CE1 3.97Å; F154-F296 HydrophobicContact CD2-CD1 4.42Å; F154-F296 HydrophobicContact CE1-CD1 4.26Å; F154-F296 HydrophobicContact CE1-CE1 4.13Å; F154-F296 AromaticContact CG-CD1 3.86Å; F154-F296 HydrophobicContact CG-CD1 3.86Å; F154-P299 HydrophobicContact CD2-CB 4.16Å; F154-P299 HydrophobicContact CE2-CB 3.88Å; F154-P299 HydrophobicContact CZ-CB 4.32Å; F154-L300 HydrophobicContact CD2-CB 4.31Å; F154-L300 HydrophobicContact CD2-CD1 4.44Å; F154-L303 HydrophobicContact CD2-CD2 4Å; F154-L303 HydrophobicContact CE2-CB 4.2Å; F154-L303 HydrophobicContact CE2-CD2 3.87Å
155V97.2Very high96.8Very high1 Ų136.1 Ų36.11%0.00620%0.199CC..Hα-helixtrans-63.6-44.3179.7-175.90000111.4L59 A151 T152 K157 L158 A159 L165 V185 V190L59-V155 HydrophobicContact CD1-CG2 4.45Å; A151-V155 WeakPolarHBondContact O-CG2 3.45Å; A151-V155 PolarHBondContact O-N 3.08Å; T152-V155 PolarHBondContact O-N 2.77Å; V155-K157 VanDerWaalsContact C-N 3.29Å; V155-K157 PolarHBondContact O-N 3.33Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 2.76Å; V155-A159 PolarHBondContact O-N 3.31Å; V155-A159 VanDerWaalsContact O-N 3.07Å; V155-L165 HydrophobicContact CB-CD2 4.39Å; V155-L165 HydrophobicContact CG1-CD2 3.9Å; V155-L165 HydrophobicContact CG2-CD2 3.74Å; V155-V185 HydrophobicContact CB-CG1 3.82Å; V155-V185 HydrophobicContact CG1-CG1 3.35Å; V155-V185 HydrophobicContact CG2-CG1 4.5Å; V155-V190 HydrophobicContact CG1-CG2 3.73Å
156N95.2Very high96.8Very high63 Ų6335.2 Ų35.234%0.33719%0.194SC..Hα-helixtrans-62.9-36.1177.2-72.2-25.4000112.1T152 F154 A159 Q160T152-N156 WeakPolarHBondContact O-CB 3.48Å; T152-N156 PolarHBondContact O-N 3.29Å; T152-N156 PolarHBondContact O-ND2 2.85Å; F154-N156 PolarHBondContact O-N 3.32Å; N156-A159 WeakPolarHBondContact O-CB 3.36Å; N156-A159 PolarHBondContact O-N 2.97Å; N156-Q160 PolarHBondContact O-N 3.1Å
157K96.1Very high96.9Very high60 Ų6033.2 Ų33.226%0.26118%0.182SC..Hα-helixtrans-65.9-39.6175.6-171.263.6175.8-176.40111.7D153 F154 V155 A159 Q160 L161 L300 L303D153-K157 WeakPolarHBondContact O-CB 3.35Å; D153-K157 PolarHBondContact O-N 2.86Å; F154-K157 PolarHBondContact O-N 3.46Å; V155-K157 VanDerWaalsContact C-N 3.29Å; V155-K157 PolarHBondContact O-N 3.33Å; K157-A159 VanDerWaalsContact C-N 3.31Å; K157-A159 PolarHBondContact O-N 2.56Å; K157-Q160 VanDerWaalsContact NZ-OE1 3.08Å; K157-Q160 PolarHBondContact O-N 2.83Å; K157-L161 HydrophobicContact CD-CD1 4.38Å; K157-L161 HydrophobicContact CG-CD1 4.04Å; K157-L161 WeakPolarHBondContact O-CB 3.32Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.41Å; K157-L161 PolarHBondContact O-N 2.8Å; K157-L161 VanDerWaalsContact O-N 3.09Å; K157-L300 HydrophobicContact CB-CD1 4.24Å; K157-L300 HydrophobicContact CG-CD1 4.32Å; K157-L303 HydrophobicContact CB-CD2 4.17Å; K157-L303 HydrophobicContact CG-CD2 3.86Å
158L97.8Very high96.8Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-61.1-42.2173.4-65.6174000111.4V51 F154 V155 L161 S162 I163 L165 N189 L303V51-L158 HydrophobicContact CB-CD1 4.08Å; V51-L158 HydrophobicContact CG2-CD1 3.69Å; V51-L158 HydrophobicContact CG2-CD2 3.54Å; V51-L158 HydrophobicContact CG2-CG 4.29Å; F154-L158 HydrophobicContact CD1-CD1 4.09Å; F154-L158 HydrophobicContact CE1-CD1 3.62Å; F154-L158 HydrophobicContact CE1-CG 4.43Å; F154-L158 HydrophobicContact CZ-CD1 3.93Å; F154-L158 HydrophobicContact CZ-CD2 4.49Å; F154-L158 HydrophobicContact CZ-CG 4.43Å; F154-L158 WeakPolarHBondContact O-CG 3.38Å; F154-L158 PolarHBondContact O-N 2.67Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 2.76Å; L158-L161 CarbonylContact O-C 3.55Å; L158-L161 PolarHBondContact O-N 2.84Å; L158-S162 PolarHBondContact O-N 3.17Å; L158-S162 VanDerWaalsContact O-N 3.08Å; L158-I163 HydrophobicContact CB-CB 4.36Å; L158-I163 HydrophobicContact CD2-CB 3.85Å; L158-I163 HydrophobicContact CD2-CD1 4.19Å; L158-I163 HydrophobicContact CD2-CG2 3.66Å; L158-I163 PolarHBondContact O-N 2.59Å; L158-L165 HydrophobicContact CD1-CB 3.98Å; L158-L165 HydrophobicContact CD1-CD1 4.29Å; L158-L165 HydrophobicContact CD1-CD2 4.33Å; L158-L165 HydrophobicContact CD1-CG 4.43Å; L158-N189 VanDerWaalsContact C-ND2 3.3Å; L158-N189 WeakPolarHBondContact CB-ND2 3.47Å; L158-L303 HydrophobicContact CD2-CD1 3.86Å; L158-L303 HydrophobicContact CD2-CD2 3.56Å; L158-L303 HydrophobicContact CD2-CG 4.36Å; L158-L303 HydrophobicContact CG-CD2 4.06Å
159A96.4Very high96.8Very high28 Ų2832.3 Ų32.323%0.23118%0.178CC..Hα-helixtrans-61.2-48.3176.700000111.1V155 N156 K157 L161 S162 N189V155-A159 PolarHBondContact O-N 3.31Å; V155-A159 VanDerWaalsContact O-N 3.07Å; N156-A159 WeakPolarHBondContact O-CB 3.36Å; N156-A159 PolarHBondContact O-N 2.97Å; K157-A159 VanDerWaalsContact C-N 3.31Å; K157-A159 PolarHBondContact O-N 2.56Å; A159-L161 PolarHBondContact O-N 3.45Å; A159-S162 PolarHBondContact O-N 2.8Å; A159-N189 WeakPolarHBondContact CA-ND2 3.36Å; A159-N189 VanDerWaalsContact CB-OD1 3.3Å; A159-N189 WeakPolarHBondContact CB-OD1 3.46Å; A159-N189 PolarHBondContact N-ND2 3.25Å; A159-N189 VanDerWaalsContact N-ND2 3.12Å
160Q95.4Very high96.7Very high140 Ų14029 Ų2965%0.65416%0.163SC*.Hα-helixtrans-54.5-37.7176.2-174.2-171.68.500112.3N156 K157N156-Q160 PolarHBondContact O-N 3.1Å; K157-Q160 VanDerWaalsContact NZ-OE1 3.08Å; K157-Q160 PolarHBondContact O-N 2.83Å
161L96.1Very high96.7Very high35 Ų3526.1 Ų26.118%0.18315%0.147CC..THydrogen-bonded Turntrans-89.82.6-177.8-64.3170.2000113.5K157 L158 A159 I163 L303 V307K157-L161 HydrophobicContact CD-CD1 4.38Å; K157-L161 HydrophobicContact CG-CD1 4.04Å; K157-L161 WeakPolarHBondContact O-CB 3.32Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.41Å; K157-L161 PolarHBondContact O-N 2.8Å; K157-L161 VanDerWaalsContact O-N 3.09Å; L158-L161 CarbonylContact O-C 3.55Å; L158-L161 PolarHBondContact O-N 2.84Å; A159-L161 PolarHBondContact O-N 3.45Å; L161-I163 HydrophobicContact CB-CD1 3.73Å; L161-I163 HydrophobicContact CB-CG1 3.86Å; L161-I163 HydrophobicContact CD1-CD1 3.96Å; L161-I163 PolarHBondContact O-N 2.88Å; L161-L303 HydrophobicContact CD1-CD1 4.2Å; L161-L303 HydrophobicContact CD1-CG 4.35Å; L161-V307 HydrophobicContact CD1-CG1 4.4Å; L161-V307 HydrophobicContact CD1-CG2 3.69Å; L161-V307 HydrophobicContact CD2-CG1 3.84Å; L161-V307 HydrophobicContact CD2-CG2 4.48Å
162S96.4Very high96.7Very high83 Ų8326.1 Ų26.158%0.5815%0.147SC*.THydrogen-bonded Turntrans53.736.4-174.3-57.10000113.1L158 A159 R236L158-S162 PolarHBondContact O-N 3.17Å; L158-S162 VanDerWaalsContact O-N 3.08Å; A159-S162 PolarHBondContact O-N 2.8Å; S162-R236 PolarHBondContact O-NH1 3.46Å; S162-R236 PolarHBondContact O-NH2 3.17Å
163I98Very high96.7Very high0 Ų024.2 Ų24.20%014%0.136CC..  trans-96.2121.6175.3-62.7171.2000107.7P46 M49 V51 L158 L161 N189 L303P46-I163 HydrophobicContact CB-CD1 3.89Å; P46-I163 HydrophobicContact CB-CG1 4.16Å; M49-I163 HydrophobicContact CB-CD1 4.24Å; M49-I163 HydrophobicContact CB-CG1 4.37Å; M49-I163 HydrophobicContact CB-CG2 4.17Å; M49-I163 HydrophobicContact CE-CD1 4.4Å; V51-I163 HydrophobicContact CG2-CG2 4.29Å; L158-I163 HydrophobicContact CB-CB 4.36Å; L158-I163 HydrophobicContact CD2-CB 3.85Å; L158-I163 HydrophobicContact CD2-CD1 4.19Å; L158-I163 HydrophobicContact CD2-CG2 3.66Å; L158-I163 PolarHBondContact O-N 2.59Å; L161-I163 HydrophobicContact CB-CD1 3.73Å; L161-I163 HydrophobicContact CB-CG1 3.86Å; L161-I163 HydrophobicContact CD1-CD1 3.96Å; L161-I163 PolarHBondContact O-N 2.88Å; I163-N189 PolarHBondContact O-ND2 2.94Å; I163-L303 HydrophobicContact CD1-CD1 3.71Å
164P97.7Very high96.7Very high4 Ų421.3 Ų21.33%0.02612%0.12CC..  trans-70.5137.6178.528.4-33.2000111.2M49 Q50 V51 N189 Y228 V232 L233 R236M49-P164 WeakPolarHBondContact O-CD 3.36Å; Q50-P164 HydrophobicContact CB-CG 3.8Å; V51-P164 PolarHBondContact N-O 2.78Å; P164-N189 WeakPolarHBondContact CA-O 3.08Å; P164-Y228 WeakPolarHBondContact CB-OH 3.18Å; P164-V232 HydrophobicContact CB-CG1 4.35Å; P164-V232 HydrophobicContact CG-CG1 4.28Å; P164-L233 HydrophobicContact CB-CD2 3.84Å; P164-L233 HydrophobicContact CG-CD2 3.72Å; P164-R236 HydrophobicContact CG-CG 4.11Å
165L98.1Very high96.7Very high0 Ų021.3 Ų21.30%012%0.12CC..EExtended strand (participates in β ladder)trans-107.1117.4169.9173.360.2000108.9V51 C53 V155 L158 I167 N189 V190 R191V51-L165 HydrophobicContact CB-CD1 3.74Å; V51-L165 HydrophobicContact CG1-CD1 3.57Å; C53-L165 HydrophobicContact CB-CD1 3.83Å; V155-L165 HydrophobicContact CB-CD2 4.39Å; V155-L165 HydrophobicContact CG1-CD2 3.9Å; V155-L165 HydrophobicContact CG2-CD2 3.74Å; L158-L165 HydrophobicContact CD1-CB 3.98Å; L158-L165 HydrophobicContact CD1-CD1 4.29Å; L158-L165 HydrophobicContact CD1-CD2 4.33Å; L158-L165 HydrophobicContact CD1-CG 4.43Å; L165-I167 HydrophobicContact CD1-CG1 4.42Å; L165-I167 HydrophobicContact CD2-CD1 4.24Å; L165-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CG-CG1 3.97Å; L165-N189 PolarHBondContact N-O 2.94Å; L165-V190 HydrophobicContact CB-CG2 4.4Å; L165-V190 HydrophobicContact CD2-CG1 4.4Å; L165-V190 HydrophobicContact CD2-CG2 4.17Å; L165-V190 CarbonylContact O-C 3.52Å; L165-V190 WeakPolarHBondContact O-CA 3.34Å; L165-R191 PolarHBondContact O-N 3Å
166V97Very high96.7Very high0 Ų021.2 Ų21.20%012%0.12CC..EExtended strand (participates in β ladder)trans-97111.7168.4-178.20000108V51 V52 C53 R191 V193 I223 L233V51-V166 PolarHBondContact O-N 3.39Å; V52-V166 CarbonylContact C-O 3.53Å; V52-V166 WeakPolarHBondContact CA-O 3.33Å; V52-V166 HydrophobicContact CG2-CB 4.35Å; C53-V166 PolarHBondContact N-O 3.41Å; V166-R191 CarbonylContact C-O 3.58Å; V166-R191 WeakPolarHBondContact CA-O 3.38Å; V166-V193 HydrophobicContact CG1-CG2 3.78Å; V166-I223 HydrophobicContact CG1-CD1 3.95Å; V166-I223 HydrophobicContact CG2-CD1 4.3Å; V166-L233 HydrophobicContact CG2-CD1 3.97Å; V166-L233 HydrophobicContact CG2-CD2 4.2Å
167I97.3Very high96.8Very high0 Ų021.4 Ų21.40%012%0.118CC..EExtended strand (participates in β ladder)trans-87.3110.1170.3-61.1179.3000107.5C53 F55 L59 L165 I176 L180 V190 R191 V192 V193C53-I167 CarbonylContact O-C 3.14Å; C53-I167 VanDerWaalsContact O-CA 3.24Å; C53-I167 WeakPolarHBondContact O-CA 3.44Å; F55-I167 HydrophobicContact CB-CG2 3.84Å; F55-I167 HydrophobicContact CD2-CG2 4.46Å; L59-I167 HydrophobicContact CD2-CD1 3.92Å; L165-I167 HydrophobicContact CD1-CG1 4.42Å; L165-I167 HydrophobicContact CD2-CD1 4.24Å; L165-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CG-CG1 3.97Å; I167-I176 HydrophobicContact CD1-CG2 4.2Å; I167-I176 HydrophobicContact CG2-CD1 4.47Å; I167-I176 HydrophobicContact CG2-CG2 4.13Å; I167-L180 HydrophobicContact CD1-CD1 3.42Å; I167-L180 VanDerWaalsContact CD1-CD1 3.42Å; I167-V190 HydrophobicContact CD1-CG1 3.7Å; I167-V190 HydrophobicContact CG1-CG1 4.02Å; I167-R191 PolarHBondContact N-O 3.07Å; I167-V192 HydrophobicContact CB-CG2 4.33Å; I167-V192 HydrophobicContact CD1-CG2 4.44Å; I167-V193 PolarHBondContact O-N 3.12Å
168F95.8Very high96.8Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-111.6103.5-178-159.4169.6000109.8V52 C53 V193 I213 K218 V219 V222 M251V52-F168 HydrophobicContact CG1-CB 4.38Å; C53-F168 PolarHBondContact O-N 3.06Å; F168-V193 WeakPolarHBondContact CA-O 3.29Å; F168-V193 HydrophobicContact CD2-CB 3.89Å; F168-V193 HydrophobicContact CD2-CG1 3.72Å; F168-V193 WeakPolarHBondContact CD2-O 3.13Å; F168-V193 HydrophobicContact CE2-CB 4.27Å; F168-V193 HydrophobicContact CE2-CG1 3.56Å; F168-V193 HydrophobicContact CG-CB 4.3Å; F168-V193 HydrophobicContact CG-CG1 4.4Å; F168-V193 HydrophobicContact CZ-CG1 4.12Å; F168-I213 HydrophobicContact CD2-CG2 4.14Å; F168-I213 HydrophobicContact CE2-CD1 4.22Å; F168-I213 HydrophobicContact CE2-CG1 4.46Å; F168-I213 HydrophobicContact CE2-CG2 3.71Å; F168-K218 HydrophobicContact CD1-CB 4.45Å; F168-K218 HydrophobicContact CD2-CB 4.34Å; F168-K218 HydrophobicContact CD2-CG 4.32Å; F168-K218 HydrophobicContact CE1-CB 4.32Å; F168-K218 HydrophobicContact CE2-CB 4.21Å; F168-K218 HydrophobicContact CE2-CG 4.36Å; F168-K218 HydrophobicContact CG-CB 4.48Å; F168-K218 HydrophobicContact CZ-CB 4.2Å; F168-V219 WeakPolarHBondContact CE1-O 3.27Å; F168-V219 WeakPolarHBondContact CZ-O 3.41Å; F168-V222 HydrophobicContact CZ-CB 4.15Å; F168-V222 HydrophobicContact CZ-CG2 4.33Å; F168-M251 HydrophobicContact CB-CE 4.37Å; F168-M251 HydrophobicContact CB-SD 4.03Å; F168-M251 HydrophobicContact CD1-CG 4.48Å; F168-M251 HydrophobicContact CD1-SD 4.27Å; F168-M251 HydrophobicContact CG-SD 4.44Å; F168-M251 WeakPolarHBondContact O-CE 3.38Å
169S96.9Very high96.7Very high1 Ų120.3 Ų20.31%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-136.8146.5-170.4-172.20000112.6D54 G171 V193 S194 I213D54-S169 PolarHBondContact OD1-OG 3.02Å; S169-G171 PolarHBondContact O-N 3.37Å; S169-G171 PolarHBondContact OG-N 3.17Å; S169-G171 VanDerWaalsContact OG-N 3.08Å; S169-V193 PolarHBondContact N-O 2.69Å; S169-S194 VanDerWaalsContact O-CA 3.23Å; S169-S194 WeakPolarHBondContact O-CA 3.41Å; S169-S194 WeakPolarHBondContact O-CB 3.23Å; S169-I213 WeakPolarHBondContact O-CG2 3.47Å
170G95.4Very high96.7Very high12 Ų1219 Ų1912%0.12411%0.106CC..EExtended strand (participates in β ladder)trans-76.4-5.5167.700000112.8H73 N195 I213H73-G170 PolarHBondContact CE1-O 3.39Å; H73-G170 VanDerWaalsContact CE1-O 3.29Å; G170-N195 PolarHBondContact O-ND2 2.8Å; G170-I213 WeakPolarHBondContact CA-O 3.4Å
171G96.1Very high96.7Very high0 Ų016 Ų160%010%0.097CC..EExtended strand (participates in β ladder)trans-69-160.3174.300000113.2S169 N195S169-G171 PolarHBondContact O-N 3.37Å; S169-G171 PolarHBondContact OG-N 3.17Å; S169-G171 VanDerWaalsContact OG-N 3.08Å; G171-N195 WeakPolarHBondContact O-CB 3Å; G171-N195 PolarHBondContact O-N 2.9Å; G171-N195 PolarHBondContact O-ND2 3.35Å; G171-N195 VanDerWaalsContact O-ND2 3.08Å
172I97.2Very high96.5Very high0 Ų017.8 Ų17.80%011%0.113CC..EExtended strand (participates in β ladder)trans-110.4121.6-176.2-69.3164.3000110C72 H73 F76 N174 V175 I176 N195 M197 F208C72-I172 HydrophobicContact CB-CB 4.44Å; H73-I172 VanDerWaalsContact CD2-CD1 3.46Å; H73-I172 WeakPolarHBondContact CD2-CD1 3.46Å; H73-I172 WeakPolarHBondContact NE2-CD1 3.3Å; H73-I172 WeakPolarHBondContact NE2-CG1 3.3Å; F76-I172 HydrophobicContact CD2-CD1 4.05Å; F76-I172 HydrophobicContact CE2-CD1 3.4Å; F76-I172 HydrophobicContact CZ-CD1 4.37Å; I172-N174 VanDerWaalsContact C-N 3.33Å; I172-N174 HydrophobicContact CG2-CB 4.27Å; I172-N174 PolarHBondContact O-N 3.36Å; I172-V175 HydrophobicContact CB-CB 4.25Å; I172-V175 HydrophobicContact CB-CG2 3.86Å; I172-V175 HydrophobicContact CG2-CB 4.42Å; I172-V175 HydrophobicContact CG2-CG2 3.82Å; I172-V175 WeakPolarHBondContact O-CA 3.4Å; I172-V175 WeakPolarHBondContact O-CB 3.27Å; I172-V175 PolarHBondContact O-N 3.19Å; I172-I176 WeakPolarHBondContact O-CG1 2.91Å; I172-I176 PolarHBondContact O-N 2.71Å; I172-N195 CarbonylContact C-O 3.54Å; I172-N195 VanDerWaalsContact CA-O 3.27Å; I172-N195 WeakPolarHBondContact CA-O 3.36Å; I172-M197 HydrophobicContact CD1-CE 3.82Å; I172-M197 HydrophobicContact CG2-CE 3.85Å; I172-M197 HydrophobicContact CG2-CG 4.19Å; I172-M197 HydrophobicContact CG2-SD 4.2Å; I172-F208 HydrophobicContact CD1-CE1 4.14Å; I172-F208 HydrophobicContact CD1-CZ 4.46Å; I172-F208 HydrophobicContact CG1-CE1 4.14Å
173G97.1Very high96.3Very high0 Ų016.4 Ų16.40%010%0.103CC..Hα-helixtrans-57.9-43.2-17400000113.3V175 I176 E177 S194 N195G173-V175 VanDerWaalsContact C-N 3.26Å; G173-V175 PolarHBondContact O-N 3.37Å; G173-I176 PolarHBondContact O-N 3.5Å; G173-E177 WeakPolarHBondContact O-CB 3.33Å; G173-E177 WeakPolarHBondContact O-CG 3.48Å; G173-E177 PolarHBondContact O-N 3.05Å; G173-S194 WeakPolarHBondContact CA-OG 3.4Å; G173-S194 PolarHBondContact N-OG 2.75Å; G173-N195 PolarHBondContact N-O 3.46Å
174N96.4Very high96Very high20 Ų2019.2 Ų19.211%0.10713%0.132CC..Hα-helixtrans-59.7-37.9176.3-5383.9000112.2I172 T178 M197I172-N174 VanDerWaalsContact C-N 3.33Å; I172-N174 HydrophobicContact CG2-CB 4.27Å; I172-N174 PolarHBondContact O-N 3.36Å; N174-T178 VanDerWaalsContact O-CB 3.29Å; N174-T178 WeakPolarHBondContact O-CB 3.12Å; N174-T178 PolarHBondContact O-N 3.09Å; N174-T178 VanDerWaalsContact O-N 3.12Å; N174-T178 PolarHBondContact O-OG1 3.35Å; N174-M197 WeakPolarHBondContact OD1-CB 3.36Å; N174-M197 PolarHBondContact OD1-N 2.9Å
175V97.1Very high95.7Very high0 Ų019.3 Ų19.30%013%0.132CC..Hα-helixtrans-67.6-49.8177175.30000109.9C72 L75 F76 V140 I145 I172 G173 E177 T178 V179C72-V175 HydrophobicContact CB-CB 4.39Å; C72-V175 HydrophobicContact CB-CG1 4.18Å; L75-V175 HydrophobicContact CD1-CG1 3.63Å; L75-V175 HydrophobicContact CD1-CG2 4.48Å; F76-V175 HydrophobicContact CE2-CG2 4.07Å; F76-V175 HydrophobicContact CZ-CG2 3.6Å; V140-V175 HydrophobicContact CG1-CG1 4.22Å; V140-V175 HydrophobicContact CG2-CB 4.12Å; V140-V175 HydrophobicContact CG2-CG1 3.94Å; V140-V175 HydrophobicContact CG2-CG2 3.82Å; I145-V175 HydrophobicContact CD1-CG1 3.81Å; I172-V175 HydrophobicContact CB-CB 4.25Å; I172-V175 HydrophobicContact CB-CG2 3.86Å; I172-V175 HydrophobicContact CG2-CB 4.42Å; I172-V175 HydrophobicContact CG2-CG2 3.82Å; I172-V175 WeakPolarHBondContact O-CA 3.4Å; I172-V175 WeakPolarHBondContact O-CB 3.27Å; I172-V175 PolarHBondContact O-N 3.19Å; G173-V175 VanDerWaalsContact C-N 3.26Å; G173-V175 PolarHBondContact O-N 3.37Å; V175-E177 PolarHBondContact O-N 2.8Å; V175-T178 PolarHBondContact O-N 3.17Å; V175-V179 HydrophobicContact CG1-CG2 4.29Å; V175-V179 WeakPolarHBondContact O-CG2 3.33Å; V175-V179 PolarHBondContact O-N 2.98Å
176I97.7Very high95.3Very high0 Ų022 Ų220%015%0.151CC..Hα-helixtrans-56.5-51.4-179.9-65.9170000110.8F55 I167 I172 G173 T178 V179 L180 V192F55-I176 HydrophobicContact CB-CD1 3.96Å; F55-I176 HydrophobicContact CB-CG1 4.21Å; F55-I176 HydrophobicContact CD1-CD1 4.23Å; F55-I176 HydrophobicContact CD1-CG1 3.65Å; F55-I176 HydrophobicContact CD2-CB 4.4Å; F55-I176 HydrophobicContact CD2-CG1 4.12Å; F55-I176 HydrophobicContact CD2-CG2 3.71Å; F55-I176 HydrophobicContact CE1-CG1 3.96Å; F55-I176 HydrophobicContact CE2-CB 4.44Å; F55-I176 HydrophobicContact CE2-CG1 4.41Å; F55-I176 HydrophobicContact CE2-CG2 3.91Å; F55-I176 HydrophobicContact CG-CB 4.48Å; F55-I176 HydrophobicContact CG-CD1 4.05Å; F55-I176 HydrophobicContact CG-CG1 3.72Å; F55-I176 HydrophobicContact CG-CG2 4.15Å; F55-I176 HydrophobicContact CZ-CG1 4.32Å; I167-I176 HydrophobicContact CD1-CG2 4.2Å; I167-I176 HydrophobicContact CG2-CD1 4.47Å; I167-I176 HydrophobicContact CG2-CG2 4.13Å; I172-I176 WeakPolarHBondContact O-CG1 2.91Å; I172-I176 PolarHBondContact O-N 2.71Å; G173-I176 PolarHBondContact O-N 3.5Å; I176-T178 VanDerWaalsContact C-N 3.31Å; I176-T178 PolarHBondContact O-N 3.11Å; I176-V179 PolarHBondContact O-N 3.37Å; I176-L180 HydrophobicContact CG2-CD1 3.83Å; I176-L180 VanDerWaalsContact O-CG 3.29Å; I176-L180 WeakPolarHBondContact O-CG 3.36Å; I176-L180 PolarHBondContact O-N 2.96Å; I176-V192 HydrophobicContact CB-CG1 4.31Å; I176-V192 HydrophobicContact CD1-CG1 4.17Å; I176-V192 HydrophobicContact CG2-CG1 4.08Å; I176-V192 HydrophobicContact CG2-CG2 4.02Å
177E96.6Very high95.1Very high66 Ų6624.2 Ų24.231%0.30816%0.163SC..Hα-helixtrans-60.4-41.7179.1-70.9-179163.600111.6G173 V175 L180 T181 L187 V192G173-E177 WeakPolarHBondContact O-CB 3.33Å; G173-E177 WeakPolarHBondContact O-CG 3.48Å; G173-E177 PolarHBondContact O-N 3.05Å; V175-E177 PolarHBondContact O-N 2.8Å; E177-L180 PolarHBondContact O-N 3.46Å; E177-T181 WeakPolarHBondContact O-CB 3.49Å; E177-T181 VanDerWaalsContact O-CG2 3.28Å; E177-T181 WeakPolarHBondContact O-CG2 3.46Å; E177-T181 PolarHBondContact O-N 3.36Å; E177-T181 PolarHBondContact O-OG1 3.15Å; E177-L187 HydrophobicContact CB-CD1 3.99Å; E177-L187 HydrophobicContact CG-CD1 3.94Å; E177-V192 HydrophobicContact CG-CG2 3.97Å
178T95.4Very high94.8Very high29 Ų2932.6 Ų32.618%0.17820%0.202CC..Hα-helixtrans-66.5-42.6178.9-58.80000111.9V140 N174 V175 I176 T181 S182V140-T178 HydrophobicContact CB-CG2 4.05Å; V140-T178 HydrophobicContact CG1-CG2 3.73Å; N174-T178 VanDerWaalsContact O-CB 3.29Å; N174-T178 WeakPolarHBondContact O-CB 3.12Å; N174-T178 PolarHBondContact O-N 3.09Å; N174-T178 VanDerWaalsContact O-N 3.12Å; N174-T178 PolarHBondContact O-OG1 3.35Å; V175-T178 PolarHBondContact O-N 3.17Å; I176-T178 VanDerWaalsContact C-N 3.31Å; I176-T178 PolarHBondContact O-N 3.11Å; T178-T181 WeakPolarHBondContact CA-OG1 3.28Å; T178-T181 PolarHBondContact O-OG1 2.73Å; T178-S182 WeakPolarHBondContact O-CB 3.38Å; T178-S182 PolarHBondContact O-N 3.09Å; T178-S182 PolarHBondContact O-OG 3.41Å
179V96.4Very high94.6Very high9 Ų933.3 Ų33.36%0.05521%0.206CC..Hα-helixtrans-62.8-45.6176.7172.20000110.8F55 V140 I145 L147 V175 I176 S183F55-V179 HydrophobicContact CZ-CB 4.06Å; F55-V179 HydrophobicContact CZ-CG1 3.96Å; F55-V179 HydrophobicContact CZ-CG2 4.45Å; V140-V179 HydrophobicContact CG1-CG2 3.52Å; I145-V179 HydrophobicContact CB-CG2 4.02Å; I145-V179 HydrophobicContact CD1-CG2 4.26Å; I145-V179 HydrophobicContact CG2-CG1 3.98Å; I145-V179 HydrophobicContact CG2-CG2 4.09Å; L147-V179 HydrophobicContact CD2-CG1 3.96Å; L147-V179 HydrophobicContact CG-CG1 4.21Å; V175-V179 HydrophobicContact CG1-CG2 4.29Å; V175-V179 WeakPolarHBondContact O-CG2 3.33Å; V175-V179 PolarHBondContact O-N 2.98Å; I176-V179 PolarHBondContact O-N 3.37Å; V179-S183 WeakPolarHBondContact O-CB 3.33Å; V179-S183 PolarHBondContact O-N 3.06Å; V179-S183 PolarHBondContact O-OG 3.36Å
180L96.2Very high94.6Very high1 Ų134.1 Ų34.11%0.00521%0.211CC..Hα-helixtrans-64.7-50.1-179.2-70.4169.6000111.7F55 L59 L147 I167 I176 E177 S182 S183 G184 V185 L187F55-L180 HydrophobicContact CE2-CD2 4.48Å; F55-L180 HydrophobicContact CE2-CG 4.39Å; L59-L180 HydrophobicContact CD2-CD2 3.78Å; L147-L180 HydrophobicContact CD1-CD2 4.09Å; L147-L180 HydrophobicContact CD2-CD2 4.41Å; I167-L180 HydrophobicContact CD1-CD1 3.42Å; I167-L180 VanDerWaalsContact CD1-CD1 3.42Å; I176-L180 HydrophobicContact CG2-CD1 3.83Å; I176-L180 VanDerWaalsContact O-CG 3.29Å; I176-L180 WeakPolarHBondContact O-CG 3.36Å; I176-L180 PolarHBondContact O-N 2.96Å; E177-L180 PolarHBondContact O-N 3.46Å; L180-S182 VanDerWaalsContact C-N 3.35Å; L180-S182 PolarHBondContact O-N 3.44Å; L180-S183 CarbonylContact O-C 3.6Å; L180-S183 WeakPolarHBondContact O-CA 3.27Å; L180-S183 WeakPolarHBondContact O-CB 3.42Å; L180-S183 PolarHBondContact O-N 3.06Å; L180-G184 PolarHBondContact O-N 3.25Å; L180-V185 HydrophobicContact CB-CB 4.31Å; L180-V185 WeakPolarHBondContact O-CB 3.36Å; L180-V185 PolarHBondContact O-N 3.2Å; L180-V185 VanDerWaalsContact O-N 3.09Å; L180-L187 HydrophobicContact CB-CD2 3.84Å; L180-L187 HydrophobicContact CD1-CD2 3.88Å
181T95.1Very high94.6Very high75 Ų7540.2 Ų40.246%0.4623%0.23SC..Hα-helixtrans-63.4-40.2179.351.40000112E177 T178 S183 G184 L187E177-T181 WeakPolarHBondContact O-CB 3.49Å; E177-T181 VanDerWaalsContact O-CG2 3.28Å; E177-T181 WeakPolarHBondContact O-CG2 3.46Å; E177-T181 PolarHBondContact O-N 3.36Å; E177-T181 PolarHBondContact O-OG1 3.15Å; T178-T181 WeakPolarHBondContact CA-OG1 3.28Å; T178-T181 PolarHBondContact O-OG1 2.73Å; T181-S183 PolarHBondContact O-N 3.45Å; T181-G184 PolarHBondContact O-N 3.44Å; T181-L187 HydrophobicContact CG2-CD1 3.68Å; T181-L187 HydrophobicContact CG2-CG 3.88Å
182S93Very high94.6Very high74 Ų7440.6 Ų40.652%0.51723%0.232SC..Hα-helixtrans-65.4-24.5174.6-58.80000112.9T178 L180 G184T178-S182 WeakPolarHBondContact O-CB 3.38Å; T178-S182 PolarHBondContact O-N 3.09Å; T178-S182 PolarHBondContact O-OG 3.41Å; L180-S182 VanDerWaalsContact C-N 3.35Å; L180-S182 PolarHBondContact O-N 3.44Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.33Å
183S92.9Very high94.5Very high53 Ų5341.3 Ų41.337%0.37124%0.237SC..THydrogen-bonded Turntrans-86.17.9174.5-55.30000113.3V179 L180 T181V179-S183 WeakPolarHBondContact O-CB 3.33Å; V179-S183 PolarHBondContact O-N 3.06Å; V179-S183 PolarHBondContact O-OG 3.36Å; L180-S183 CarbonylContact O-C 3.6Å; L180-S183 WeakPolarHBondContact O-CA 3.27Å; L180-S183 WeakPolarHBondContact O-CB 3.42Å; L180-S183 PolarHBondContact O-N 3.06Å; T181-S183 PolarHBondContact O-N 3.45Å
184G90.6Very high94.5Very high59 Ų5941.9 Ų41.961%0.60824%0.241SC*.THydrogen-bonded Turntrans77.517.2178.500000114.6L180 T181 S182L180-G184 PolarHBondContact O-N 3.25Å; T181-G184 PolarHBondContact O-N 3.44Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.33Å
185V91.4Very high94.5Very high6 Ų641 Ų414%0.03624%0.236CC..  trans-87.3129.4178.1176.40000110.1T152 V155 L180T152-V185 HydrophobicContact CG2-CG2 3.78Å; V155-V185 HydrophobicContact CB-CG1 3.82Å; V155-V185 HydrophobicContact CG1-CG1 3.35Å; V155-V185 HydrophobicContact CG2-CG1 4.5Å; L180-V185 HydrophobicContact CB-CB 4.31Å; L180-V185 WeakPolarHBondContact O-CB 3.36Å; L180-V185 PolarHBondContact O-N 3.2Å; L180-V185 VanDerWaalsContact O-N 3.09Å
186S89.5Confident94.5Very high57 Ų5742.6 Ų42.640%0.39924%0.243SC..  trans-74135.6168-179.40000110.2E188S186-E188 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact OG-N 3.12Å
187L92.6Very high94.6Very high47 Ų4742.9 Ų42.925%0.24624%0.244CC..  trans-90.810176.4-58.4-175.8000113.4E177 L180 T181 N189 V190E177-L187 HydrophobicContact CB-CD1 3.99Å; E177-L187 HydrophobicContact CG-CD1 3.94Å; L180-L187 HydrophobicContact CB-CD2 3.84Å; L180-L187 HydrophobicContact CD1-CD2 3.88Å; T181-L187 HydrophobicContact CG2-CD1 3.68Å; T181-L187 HydrophobicContact CG2-CG 3.88Å; L187-N189 VanDerWaalsContact C-N 3.33Å; L187-N189 PolarHBondContact O-N 3.4Å; L187-V190 HydrophobicContact CB-CB 4.31Å; L187-V190 HydrophobicContact CD2-CB 4.07Å; L187-V190 HydrophobicContact CD2-CG1 4.21Å; L187-V190 HydrophobicContact CD2-CG2 4.23Å; L187-V190 PolarHBondContact O-N 3.46Å
188E91Very high94.6Very high175 Ų17542.7 Ų42.782%0.81825%0.245SC*.THydrogen-bonded Turntrans-56.2-41.2-172.9-176.4177.5-177.400113.9S186S186-E188 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact OG-N 3.12Å
189N93.1Very high94.7Very high16 Ų1643 Ų439%0.08624%0.244CC..THydrogen-bonded Turntrans-103.29.2176.769.7-47.5000112.8L158 A159 I163 P164 L165 L187L158-N189 VanDerWaalsContact C-ND2 3.3Å; L158-N189 WeakPolarHBondContact CB-ND2 3.47Å; A159-N189 WeakPolarHBondContact CA-ND2 3.36Å; A159-N189 VanDerWaalsContact CB-OD1 3.3Å; A159-N189 WeakPolarHBondContact CB-OD1 3.46Å; A159-N189 PolarHBondContact N-ND2 3.25Å; A159-N189 VanDerWaalsContact N-ND2 3.12Å; I163-N189 PolarHBondContact O-ND2 2.94Å; P164-N189 WeakPolarHBondContact CA-O 3.08Å; L165-N189 PolarHBondContact N-O 2.94Å; L187-N189 VanDerWaalsContact C-N 3.33Å; L187-N189 PolarHBondContact O-N 3.4Å
190V96.7Very high94.8Very high18 Ų1844.9 Ų44.911%0.10925%0.254CS..EExtended strand (participates in β ladder)trans-102.6124.3-175.4-174.70000109.7V155 L165 I167 L187 V192V155-V190 HydrophobicContact CG1-CG2 3.73Å; L165-V190 HydrophobicContact CB-CG2 4.4Å; L165-V190 HydrophobicContact CD2-CG1 4.4Å; L165-V190 HydrophobicContact CD2-CG2 4.17Å; L165-V190 CarbonylContact O-C 3.52Å; L165-V190 WeakPolarHBondContact O-CA 3.34Å; I167-V190 HydrophobicContact CD1-CG1 3.7Å; I167-V190 HydrophobicContact CG1-CG1 4.02Å; L187-V190 HydrophobicContact CB-CB 4.31Å; L187-V190 HydrophobicContact CD2-CB 4.07Å; L187-V190 HydrophobicContact CD2-CG1 4.21Å; L187-V190 HydrophobicContact CD2-CG2 4.23Å; L187-V190 PolarHBondContact O-N 3.46Å; V190-V192 HydrophobicContact CG1-CG2 4.14Å
191R95.4Very high94.8Very high140 Ų14051 Ų5153%0.52829%0.294SS..EExtended strand (participates in β ladder)trans-113.5113.7169.9-175.662.2178.2174.42.4109.4L165 V166 I167 V193 Y228L165-R191 PolarHBondContact O-N 3Å; V166-R191 CarbonylContact C-O 3.58Å; V166-R191 WeakPolarHBondContact CA-O 3.38Å; I167-R191 PolarHBondContact N-O 3.07Å; R191-V193 HydrophobicContact CG-CG2 4.43Å; R191-Y228 HydrophobicContact CB-CD1 4.37Å; R191-Y228 HydrophobicContact CB-CE1 3.79Å; R191-Y228 HydrophobicContact CG-CD1 4.13Å; R191-Y228 HydrophobicContact CG-CE1 4.06Å
192V95.8Very high94.9Very high8 Ų854 Ų545%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-88.8128175.9-177.40000109.6I167 I176 E177 V190 S194 F196I167-V192 HydrophobicContact CB-CG2 4.33Å; I167-V192 HydrophobicContact CD1-CG2 4.44Å; I176-V192 HydrophobicContact CB-CG1 4.31Å; I176-V192 HydrophobicContact CD1-CG1 4.17Å; I176-V192 HydrophobicContact CG2-CG1 4.08Å; I176-V192 HydrophobicContact CG2-CG2 4.02Å; E177-V192 HydrophobicContact CG-CG2 3.97Å; V190-V192 HydrophobicContact CG1-CG2 4.14Å; V192-S194 WeakPolarHBondContact CG1-OG 3.5Å; V192-F196 HydrophobicContact CB-CE2 4.48Å; V192-F196 HydrophobicContact CB-CZ 3.99Å; V192-F196 HydrophobicContact CG1-CE2 4.25Å; V192-F196 HydrophobicContact CG1-CZ 3.97Å
193V95Very high95.1Very high15 Ų1551.4 Ų51.49%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-121.799.3177.4-174.40000106.9V166 I167 F168 S169 R191 I223V166-V193 HydrophobicContact CG1-CG2 3.78Å; I167-V193 PolarHBondContact O-N 3.12Å; F168-V193 WeakPolarHBondContact CA-O 3.29Å; F168-V193 HydrophobicContact CD2-CB 3.89Å; F168-V193 HydrophobicContact CD2-CG1 3.72Å; F168-V193 WeakPolarHBondContact CD2-O 3.13Å; F168-V193 HydrophobicContact CE2-CB 4.27Å; F168-V193 HydrophobicContact CE2-CG1 3.56Å; F168-V193 HydrophobicContact CG-CB 4.3Å; F168-V193 HydrophobicContact CG-CG1 4.4Å; F168-V193 HydrophobicContact CZ-CG1 4.12Å; S169-V193 PolarHBondContact N-O 2.69Å; R191-V193 HydrophobicContact CG-CG2 4.43Å; V193-I223 HydrophobicContact CB-CG2 4.33Å; V193-I223 HydrophobicContact CG1-CG2 3.87Å; V193-I223 HydrophobicContact CG2-CG2 3.48Å; V193-I223 VanDerWaalsContact CG2-CG2 3.48Å
194S96.4Very high95.3Very high12 Ų1253.3 Ų53.38%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-165.5-171-17463.20000110.5S169 G173 V192 F196S169-S194 VanDerWaalsContact O-CA 3.23Å; S169-S194 WeakPolarHBondContact O-CA 3.41Å; S169-S194 WeakPolarHBondContact O-CB 3.23Å; G173-S194 WeakPolarHBondContact CA-OG 3.4Å; G173-S194 PolarHBondContact N-OG 2.75Å; V192-S194 WeakPolarHBondContact CG1-OG 3.5Å; S194-F196 WeakPolarHBondContact O-CD2 3.43Å; S194-F196 PolarHBondContact O-N 3.43Å
195N97.2Very high95.7Very high0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-78.1111.8178.2-56.4-72.4000110.6G170 G171 I172 G173 F208 V212 I213G170-N195 PolarHBondContact O-ND2 2.8Å; G171-N195 WeakPolarHBondContact O-CB 3Å; G171-N195 PolarHBondContact O-N 2.9Å; G171-N195 PolarHBondContact O-ND2 3.35Å; G171-N195 VanDerWaalsContact O-ND2 3.08Å; I172-N195 CarbonylContact C-O 3.54Å; I172-N195 VanDerWaalsContact CA-O 3.27Å; I172-N195 WeakPolarHBondContact CA-O 3.36Å; G173-N195 PolarHBondContact N-O 3.46Å; N195-F208 HydrophobicContact CB-CD1 4.19Å; N195-V212 WeakPolarHBondContact OD1-CA 3.27Å; N195-I213 PolarHBondContact ND2-O 3.12Å; N195-I213 PolarHBondContact OD1-N 3.04Å; N195-I213 PolarHBondContact OD1-O 3.32Å
196F97.5Very high96Very high35 Ų3554.3 Ų54.315%0.15428%0.28CS..PPolyproline II helixtrans-96.7139.8176.3-79.5-89.1000111.9V192 S194 F208 Q209V192-F196 HydrophobicContact CB-CE2 4.48Å; V192-F196 HydrophobicContact CB-CZ 3.99Å; V192-F196 HydrophobicContact CG1-CE2 4.25Å; V192-F196 HydrophobicContact CG1-CZ 3.97Å; S194-F196 WeakPolarHBondContact O-CD2 3.43Å; S194-F196 PolarHBondContact O-N 3.43Å; F196-F208 CarbonylContact O-C 3.58Å; F196-F208 WeakPolarHBondContact O-CA 3.36Å; F196-Q209 HydrophobicContact CB-CB 4.4Å; F196-Q209 HydrophobicContact CB-CG 4.19Å; F196-Q209 PolarHBondContact O-N 3.08Å
197M98Very high96.4Very high6 Ų652.5 Ų52.53%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-84.7134.5176.3-71.6174.2174.500111.3F76 L126 I136 I172 N174 F199 L205 F208F76-M197 HydrophobicContact CE2-CE 4.01Å; F76-M197 HydrophobicContact CZ-CE 3.95Å; L126-M197 HydrophobicContact CD1-CE 4.27Å; I136-M197 HydrophobicContact CD1-CE 3.72Å; I136-M197 HydrophobicContact CD1-SD 3.98Å; I136-M197 HydrophobicContact CG1-CE 4.34Å; I136-M197 HydrophobicContact CG1-SD 3.92Å; I136-M197 HydrophobicContact CG2-CE 4.47Å; I136-M197 HydrophobicContact CG2-SD 4Å; I172-M197 HydrophobicContact CD1-CE 3.82Å; I172-M197 HydrophobicContact CG2-CE 3.85Å; I172-M197 HydrophobicContact CG2-CG 4.19Å; I172-M197 HydrophobicContact CG2-SD 4.2Å; N174-M197 WeakPolarHBondContact OD1-CB 3.36Å; N174-M197 PolarHBondContact OD1-N 2.9Å; M197-F199 HydrophobicContact CB-CD2 4.2Å; M197-F199 HydrophobicContact CB-CE2 3.45Å; M197-F199 VanDerWaalsContact CB-CE2 3.45Å; M197-F199 HydrophobicContact CB-CZ 3.82Å; M197-F199 HydrophobicContact CG-CE2 4.48Å; M197-F199 HydrophobicContact CG-CZ 4.44Å; M197-F199 HydrophobicContact SD-CE2 4.33Å; M197-F199 HydrophobicContact SD-CZ 3.82Å; M197-L205 HydrophobicContact CB-CD1 3.61Å; M197-L205 HydrophobicContact CG-CD1 3.7Å; M197-L205 HydrophobicContact SD-CD1 4.2Å; M197-F208 HydrophobicContact CB-CE1 4.5Å; M197-F208 HydrophobicContact CE-CE1 3.85Å; M197-F208 HydrophobicContact CE-CZ 3.53Å; M197-F208 HydrophobicContact CG-CD1 3.95Å; M197-F208 HydrophobicContact CG-CE1 3.37Å; M197-F208 HydrophobicContact CG-CE2 4.26Å; M197-F208 HydrophobicContact CG-CZ 3.56Å; M197-F208 HydrophobicContact SD-CE1 4.49Å; M197-F208 HydrophobicContact SD-CZ 4.37Å
198D97.7Very high96.6Very high62 Ų6251.6 Ų51.633%0.33227%0.265SS..EExtended strand (participates in β ladder)trans-99.4129.8170.7-68.9-36000110.5V206 G207 Q209D198-V206 HydrophobicContact CB-CG2 4.24Å; D198-V206 WeakPolarHBondContact O-CG2 2.93Å; D198-V206 PolarHBondContact O-N 2.9Å; D198-G207 PolarHBondContact N-O 3.39Å; D198-G207 PolarHBondContact O-N 3.45Å; D198-Q209 WeakPolarHBondContact OD1-CG 3.4Å; D198-Q209 PolarHBondContact OD1-NE2 2.91Å; D198-Q209 WeakPolarHBondContact OD2-CG 3.23Å
199F97.7Very high96.8Very high35 Ų3547.7 Ų47.715%0.15425%0.246CC..EExtended strand (participates in β ladder)trans-116.9143.1179.3-61.8-93.8000110.5R133 I136 M197 R204 L205R133-F199 VanDerWaalsContact CA-CE1 3.49Å; R133-F199 HydrophobicContact CB-CD1 3.88Å; R133-F199 HydrophobicContact CB-CE1 3.73Å; R133-F199 HydrophobicContact CB-CG 4.48Å; R133-F199 HydrophobicContact CB-CZ 4.18Å; R133-F199 HydrophobicContact CG-CE1 4.48Å; R133-F199 HydrophobicContact CG-CZ 4.46Å; I136-F199 HydrophobicContact CG1-CE1 4.36Å; I136-F199 HydrophobicContact CG1-CZ 4.19Å; M197-F199 HydrophobicContact CB-CD2 4.2Å; M197-F199 HydrophobicContact CB-CE2 3.45Å; M197-F199 VanDerWaalsContact CB-CE2 3.45Å; M197-F199 HydrophobicContact CB-CZ 3.82Å; M197-F199 HydrophobicContact CG-CE2 4.48Å; M197-F199 HydrophobicContact CG-CZ 4.44Å; M197-F199 HydrophobicContact SD-CE2 4.33Å; M197-F199 HydrophobicContact SD-CZ 3.82Å; F199-R204 CarbonylContact C-O 3.5Å; F199-R204 VanDerWaalsContact CA-O 3.23Å; F199-R204 WeakPolarHBondContact CA-O 3.49Å; F199-L205 HydrophobicContact CD1-CB 4.27Å; F199-L205 HydrophobicContact CE1-CB 4.07Å; F199-L205 HydrophobicContact CE1-CD1 4.33Å; F199-L205 HydrophobicContact CZ-CD1 4.41Å
200N97.6Very high96.8Very high48 Ų4853.1 Ų53.126%0.25728%0.275SS..  trans-75.5171.9169.774.32.6000111.7E202 G203 R204 V206N200-E202 PolarHBondContact ND2-OE2 3.34Å; N200-E202 VanDerWaalsContact ND2-OE2 3.13Å; N200-E202 PolarHBondContact O-N 2.93Å; N200-E202 VanDerWaalsContact O-N 3.15Å; N200-E202 PolarHBondContact OD1-N 2.93Å; N200-E202 PolarHBondContact OD1-OE2 3.38Å; N200-G203 WeakPolarHBondContact O-CA 3.3Å; N200-G203 PolarHBondContact O-N 2.64Å; N200-G203 PolarHBondContact OD1-N 3.02Å; N200-G203 VanDerWaalsContact OD1-N 3.14Å; N200-R204 PolarHBondContact N-O 2.84Å; N200-R204 WeakPolarHBondContact OD1-CB 3.36Å; N200-R204 PolarHBondContact OD1-N 3.22Å; N200-R204 PolarHBondContact OD1-O 3.01Å; N200-V206 HydrophobicContact CB-CG1 3.83Å
201P97.6Very high96.5Very high129 Ų12956 Ų5684%0.83830%0.295SS*.THydrogen-bonded Turntrans-57.6-26.7179.2-27.337.2000114.7G203P201-G203 PolarHBondContact O-N 3.3Å
202E96.6Very high96.4Very high140 Ų14049.7 Ų49.765%0.65427%0.271SS*.THydrogen-bonded Turntrans-80.51.6175.5-59.671-147.800113.1N200N200-E202 PolarHBondContact ND2-OE2 3.34Å; N200-E202 VanDerWaalsContact ND2-OE2 3.13Å; N200-E202 PolarHBondContact O-N 2.93Å; N200-E202 VanDerWaalsContact O-N 3.15Å; N200-E202 PolarHBondContact OD1-N 2.93Å; N200-E202 PolarHBondContact OD1-OE2 3.38Å
203G97.2Very high96.4Very high19 Ų1949.5 Ų49.520%0.19627%0.27CS..SBendtrans7621.2178.900000114.1S132 R133 N200 P201S132-G203 CarbonylContact C-O 3.48Å; S132-G203 VanDerWaalsContact CA-O 3.26Å; S132-G203 WeakPolarHBondContact CA-O 3.34Å; R133-G203 PolarHBondContact N-O 3.14Å; N200-G203 WeakPolarHBondContact O-CA 3.3Å; N200-G203 PolarHBondContact O-N 2.64Å; N200-G203 PolarHBondContact OD1-N 3.02Å; N200-G203 VanDerWaalsContact OD1-N 3.14Å; P201-G203 PolarHBondContact O-N 3.3Å
204R97.8Very high96.3Very high93 Ų9348.9 Ų48.935%0.35127%0.266SS..BIsolated β-bridgetrans-91.6137.5174.5-58.6-63.3-179.4173.1-8.8111N130 F199 N200 V206N130-R204 PolarHBondContact O-NH1 2.86Å; N130-R204 WeakPolarHBondContact OD1-CD 3.41Å; F199-R204 CarbonylContact C-O 3.5Å; F199-R204 VanDerWaalsContact CA-O 3.23Å; F199-R204 WeakPolarHBondContact CA-O 3.49Å; N200-R204 PolarHBondContact N-O 2.84Å; N200-R204 WeakPolarHBondContact OD1-CB 3.36Å; N200-R204 PolarHBondContact OD1-N 3.22Å; N200-R204 PolarHBondContact OD1-O 3.01Å; R204-V206 PolarHBondContact O-N 2.87Å
205L98.1Very high95.9Very high4 Ų449.4 Ų49.42%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-66120.3175179.365.6000109.6L126 V127 V131 M197 F199 G207 F208L126-L205 HydrophobicContact CB-CD2 3.57Å; V127-L205 HydrophobicContact CG2-CD2 4.25Å; V127-L205 HydrophobicContact CG2-CG 4.01Å; V131-L205 WeakPolarHBondContact O-CB 3.5Å; V131-L205 PolarHBondContact O-N 3.08Å; M197-L205 HydrophobicContact CB-CD1 3.61Å; M197-L205 HydrophobicContact CG-CD1 3.7Å; M197-L205 HydrophobicContact SD-CD1 4.2Å; F199-L205 HydrophobicContact CD1-CB 4.27Å; F199-L205 HydrophobicContact CE1-CB 4.07Å; F199-L205 HydrophobicContact CE1-CD1 4.33Å; F199-L205 HydrophobicContact CZ-CD1 4.41Å; L205-G207 WeakPolarHBondContact CD1-O 3.21Å; L205-F208 HydrophobicContact CD1-CE2 4.19Å; L205-F208 HydrophobicContact CD2-CE2 4.02Å; L205-F208 HydrophobicContact CD2-CZ 4.46Å
206V97.8Very high95.5Very high82 Ų8251.4 Ų51.450%0.49728%0.28SS..EExtended strand (participates in β ladder)trans-115.1-15.1-179-67.70000113.5D198 N200 R204D198-V206 HydrophobicContact CB-CG2 4.24Å; D198-V206 WeakPolarHBondContact O-CG2 2.93Å; D198-V206 PolarHBondContact O-N 2.9Å; N200-V206 HydrophobicContact CB-CG1 3.83Å; R204-V206 PolarHBondContact O-N 2.87Å
207G97.6Very high95.2Very high18 Ų1851.2 Ų51.219%0.18628%0.281CS..EExtended strand (participates in β ladder)trans-179.4-177.4-179.100000113.2D198 L205D198-G207 PolarHBondContact N-O 3.39Å; D198-G207 PolarHBondContact O-N 3.45Å; L205-G207 WeakPolarHBondContact CD1-O 3.21Å
208F97.5Very high94.8Very high29 Ų2951.7 Ų51.713%0.12728%0.283CS..EExtended strand (participates in β ladder)trans-126.9148169.2-75.9-106.7000108.5H123 L126 V127 I172 N195 F196 M197 L205H123-F208 HydrophobicContact CB-CB 4.48Å; H123-F208 HydrophobicContact CB-CD2 3.42Å; H123-F208 VanDerWaalsContact CB-CD2 3.42Å; H123-F208 HydrophobicContact CB-CE2 3.6Å; H123-F208 HydrophobicContact CB-CG 3.93Å; H123-F208 HydrophobicContact CB-CZ 4.26Å; H123-F208 AromaticContact CD2-CE1 3.95Å; H123-F208 AromaticContact CD2-CZ 3.99Å; H123-F208 AromaticContact CG-CD1 3.9Å; H123-F208 AromaticContact CG-CD2 3.66Å; H123-F208 AromaticContact CG-CE2 3.85Å; H123-F208 AromaticContact CG-CG 3.67Å; H123-F208 AromaticContact ND1-CD1 3.84Å; H123-F208 AromaticContact ND1-CG 3.6Å; L126-F208 HydrophobicContact CD1-CE2 4.4Å; L126-F208 HydrophobicContact CD1-CZ 3.95Å; V127-F208 HydrophobicContact CG2-CD2 4.48Å; I172-F208 HydrophobicContact CD1-CE1 4.14Å; I172-F208 HydrophobicContact CD1-CZ 4.46Å; I172-F208 HydrophobicContact CG1-CE1 4.14Å; N195-F208 HydrophobicContact CB-CD1 4.19Å; F196-F208 CarbonylContact O-C 3.58Å; F196-F208 WeakPolarHBondContact O-CA 3.36Å; M197-F208 HydrophobicContact CB-CE1 4.5Å; M197-F208 HydrophobicContact CE-CE1 3.85Å; M197-F208 HydrophobicContact CE-CZ 3.53Å; M197-F208 HydrophobicContact CG-CD1 3.95Å; M197-F208 HydrophobicContact CG-CE1 3.37Å; M197-F208 HydrophobicContact CG-CE2 4.26Å; M197-F208 HydrophobicContact CG-CZ 3.56Å; M197-F208 HydrophobicContact SD-CE1 4.49Å; M197-F208 HydrophobicContact SD-CZ 4.37Å; L205-F208 HydrophobicContact CD1-CE2 4.19Å; L205-F208 HydrophobicContact CD2-CE2 4.02Å; L205-F208 HydrophobicContact CD2-CZ 4.46Å
209Q95.2Very high94.3Very high92 Ų9252.1 Ų52.143%0.4329%0.287SS..PPolyproline II helixtrans-72.5137.6-179.9-63.2178.112.400110.7F196 D198F196-Q209 HydrophobicContact CB-CB 4.4Å; F196-Q209 HydrophobicContact CB-CG 4.19Å; F196-Q209 PolarHBondContact O-N 3.08Å; D198-Q209 WeakPolarHBondContact OD1-CG 3.4Å; D198-Q209 PolarHBondContact OD1-NE2 2.91Å; D198-Q209 WeakPolarHBondContact OD2-CG 3.23Å
210D91.7Very high93.7Very high131 Ų13150.5 Ų50.570%0.70128%0.28SS*.SBendtrans-82151.3168.6-82.1-50.2000110.9
211P91.6Very high93Very high79 Ų7951.6 Ų51.651%0.51329%0.286SS..SBendcis-79.7148.8-2.933.1-34.7000112.3I213 V222P211-I213 HydrophobicContact CG-CD1 4.19Å; P211-I213 PolarHBondContact O-N 3.1Å; P211-V222 HydrophobicContact CG-CG1 4.46Å
212V93.8Very high92.3Very high6 Ų648.2 Ų48.24%0.03626%0.263CS..PPolyproline II helixtrans-61.7125.8168.3175.10000109.9M116 W119 K120 N195 N217M116-V212 HydrophobicContact CE-CB 4.16Å; M116-V212 HydrophobicContact SD-CB 3.79Å; M116-V212 HydrophobicContact SD-CG1 4.29Å; M116-V212 HydrophobicContact SD-CG2 4.23Å; W119-V212 HydrophobicContact CB-CG1 3.68Å; K120-V212 HydrophobicContact CG-CG2 4.06Å; N195-V212 WeakPolarHBondContact OD1-CA 3.27Å; V212-N217 PolarHBondContact O-ND2 3.39Å
213I94.3Very high91.6Very high4 Ų442.3 Ų42.32%0.02124%0.236CC..PPolyproline II helixtrans-101.2133.6176-55.1-56.8000109.5F168 S169 G170 N195 P211 N217 K218 V222F168-I213 HydrophobicContact CD2-CG2 4.14Å; F168-I213 HydrophobicContact CE2-CD1 4.22Å; F168-I213 HydrophobicContact CE2-CG1 4.46Å; F168-I213 HydrophobicContact CE2-CG2 3.71Å; S169-I213 WeakPolarHBondContact O-CG2 3.47Å; G170-I213 WeakPolarHBondContact CA-O 3.4Å; N195-I213 PolarHBondContact ND2-O 3.12Å; N195-I213 PolarHBondContact OD1-N 3.04Å; N195-I213 PolarHBondContact OD1-O 3.32Å; P211-I213 HydrophobicContact CG-CD1 4.19Å; P211-I213 PolarHBondContact O-N 3.1Å; I213-N217 WeakPolarHBondContact CA-OD1 3.49Å; I213-K218 HydrophobicContact CG2-CG 4.16Å; I213-V222 HydrophobicContact CD1-CG1 4.26Å
214H93Very high91Very high3 Ų343.4 Ų43.41%0.01424%0.236CC..  trans-147.4169.8177.161.684000110.5M115 W119 L216 N217 K218M115-H214 HydrophobicContact CB-CB 4.47Å; M115-H214 WeakPolarHBondContact CB-ND1 3.26Å; W119-H214 HydrophobicContact CG-CB 4.46Å; H214-L216 PolarHBondContact ND1-N 3.23Å; H214-L216 PolarHBondContact O-N 2.98Å; H214-N217 PolarHBondContact CD2-ND2 2.75Å; H214-N217 PolarHBondContact N-OD1 2.89Å; H214-N217 PolarHBondContact NE2-ND2 2.68Å; H214-N217 PolarHBondContact O-N 3.19Å; H214-N217 PolarHBondContact O-OD1 3.03Å; H214-K218 WeakPolarHBondContact O-CG 3.4Å; H214-K218 PolarHBondContact O-N 3.07Å
215S88.1Confident90.2Very high22 Ų2246.4 Ų46.415%0.15426%0.259CS..THydrogen-bonded Turntrans-46-40.2-174.655.60000114.9E101 S247E101-S215 WeakPolarHBondContact OE1-CB 3.49Å; E101-S215 PolarHBondContact OE1-OG 3.37Å; S215-S247 WeakPolarHBondContact O-CB 3.33Å
216L88.5Confident89.6Confident42 Ų4248.1 Ų48.122%0.2227%0.271CS..THydrogen-bonded Turntrans-89.2-8.5-174.8-57.5177.7000115.6K111 L112 M115 H214K111-L216 HydrophobicContact CB-CD1 3.56Å; K111-L216 HydrophobicContact CD-CD1 4.4Å; L112-L216 HydrophobicContact CD2-CB 3.53Å; L112-L216 WeakPolarHBondContact CD2-O 3.47Å; L112-L216 HydrophobicContact CG-CB 4.4Å; M115-L216 HydrophobicContact CG-CD1 3.92Å; M115-L216 HydrophobicContact CG-CG 4.5Å; H214-L216 PolarHBondContact ND1-N 3.23Å; H214-L216 PolarHBondContact O-N 2.98Å
217N91.3Very high89.2Confident32 Ų3251.7 Ų51.717%0.17128%0.282CS..THydrogen-bonded Turntrans-119.113.2-179.880.5-10.3000114L112 V212 I213 H214 V219L112-N217 HydrophobicContact CD2-CB 4.48Å; V212-N217 PolarHBondContact O-ND2 3.39Å; I213-N217 WeakPolarHBondContact CA-OD1 3.49Å; H214-N217 PolarHBondContact CD2-ND2 2.75Å; H214-N217 PolarHBondContact N-OD1 2.89Å; H214-N217 PolarHBondContact NE2-ND2 2.68Å; H214-N217 PolarHBondContact O-N 3.19Å; H214-N217 PolarHBondContact O-OD1 3.03Å; N217-V219 PolarHBondContact O-N 3.29Å
218K90Very high88.9Confident16 Ų1653.9 Ų53.97%0.0729%0.286CS..  trans-68.977.5171.8-58.3-175.1-168.6172.30110.1D54 F168 I213 H214 D248 M251D54-K218 VanDerWaalsContact CG-NZ 3.3Å; D54-K218 IonicContact OD1-NZ 2.8Å; D54-K218 PolarHBondContact OD1-NZ 3.22Å; F168-K218 HydrophobicContact CD1-CB 4.45Å; F168-K218 HydrophobicContact CD2-CB 4.34Å; F168-K218 HydrophobicContact CD2-CG 4.32Å; F168-K218 HydrophobicContact CE1-CB 4.32Å; F168-K218 HydrophobicContact CE2-CB 4.21Å; F168-K218 HydrophobicContact CE2-CG 4.36Å; F168-K218 HydrophobicContact CG-CB 4.48Å; F168-K218 HydrophobicContact CZ-CB 4.2Å; I213-K218 HydrophobicContact CG2-CG 4.16Å; H214-K218 WeakPolarHBondContact O-CG 3.4Å; H214-K218 PolarHBondContact O-N 3.07Å; K218-D248 IonicContact NZ-OD1 3.2Å; K218-D248 PolarHBondContact NZ-OD1 3.22Å; K218-M251 HydrophobicContact CB-CE 4.43Å; K218-M251 HydrophobicContact CB-CG 4.02Å; K218-M251 HydrophobicContact CD-CE 3.51Å; K218-M251 VanDerWaalsContact O-CA 3.32Å; K218-M251 WeakPolarHBondContact O-CA 3.26Å
219V87.6Confident88.5Confident70 Ų7053.7 Ų53.742%0.42429%0.285SS..  trans-110.7129.8174.4-64.20000109.3F168 N217 N221 V222F168-V219 WeakPolarHBondContact CE1-O 3.27Å; F168-V219 WeakPolarHBondContact CZ-O 3.41Å; N217-V219 PolarHBondContact O-N 3.29Å; V219-N221 PolarHBondContact O-N 3.35Å; V219-V222 HydrophobicContact CG2-CG2 3.94Å; V219-V222 WeakPolarHBondContact O-CB 3.44Å; V219-V222 VanDerWaalsContact O-CG2 3.31Å; V219-V222 WeakPolarHBondContact O-CG2 3.29Å; V219-V222 PolarHBondContact O-N 3.49Å
220Y83.9Confident88.3Confident1 Ų155.8 Ų55.80%0.00429%0.294CS..THydrogen-bonded Turntrans-57.9-21.7-175.5-165-83.4000112.5Q50 V52 V222 I223 Q224 F229 L233 M251 I252 F258Q50-Y220 VanDerWaalsContact CD-OH 3.31Å; Q50-Y220 PolarHBondContact NE2-OH 2.98Å; Q50-Y220 PolarHBondContact OE1-OH 3.14Å; V52-Y220 HydrophobicContact CG1-CD2 4.44Å; V52-Y220 HydrophobicContact CG2-CD2 3.97Å; V52-Y220 HydrophobicContact CG2-CE2 3.5Å; Y220-V222 PolarHBondContact O-N 3.43Å; Y220-I223 HydrophobicContact CD1-CD1 4.1Å; Y220-I223 HydrophobicContact CD1-CG1 3.95Å; Y220-I223 HydrophobicContact CD2-CD1 3.79Å; Y220-I223 HydrophobicContact CD2-CG1 4.29Å; Y220-I223 HydrophobicContact CE1-CD1 3.72Å; Y220-I223 HydrophobicContact CE1-CG1 3.92Å; Y220-I223 HydrophobicContact CE2-CD1 3.42Å; Y220-I223 VanDerWaalsContact CE2-CD1 3.42Å; Y220-I223 HydrophobicContact CE2-CG1 4.3Å; Y220-I223 HydrophobicContact CG-CD1 4.12Å; Y220-I223 HydrophobicContact CG-CG1 4.13Å; Y220-I223 WeakPolarHBondContact O-CG1 3.29Å; Y220-I223 PolarHBondContact O-N 2.81Å; Y220-Q224 HydrophobicContact CD1-CG 4.12Å; Y220-Q224 HydrophobicContact CE1-CG 4.46Å; Y220-Q224 PolarHBondContact O-N 3.29Å; Y220-F229 AromaticContact CE1-CD2 3.82Å; Y220-F229 HydrophobicContact CE1-CD2 3.82Å; Y220-F229 AromaticContact CE1-CE2 3.68Å; Y220-F229 HydrophobicContact CE1-CE2 3.68Å; Y220-L233 WeakPolarHBondContact OH-CD1 3.41Å; Y220-M251 WeakPolarHBondContact CB-O 3.38Å; Y220-M251 PolarHBondContact N-O 2.81Å; Y220-I252 HydrophobicContact CD2-CD1 4Å; Y220-I252 HydrophobicContact CD2-CG1 3.91Å; Y220-I252 HydrophobicContact CE2-CD1 4.35Å; Y220-I252 HydrophobicContact CG-CG1 4.17Å; Y220-F258 HydrophobicContact CD1-CE1 4.43Å; Y220-F258 AromaticContact CD1-CZ 3.88Å; Y220-F258 HydrophobicContact CD1-CZ 3.88Å; Y220-F258 HydrophobicContact CE1-CE1 4.22Å; Y220-F258 HydrophobicContact CE1-CE2 4.11Å; Y220-F258 AromaticContact CE1-CZ 3.46Å; Y220-F258 HydrophobicContact CE1-CZ 3.46Å; Y220-F258 VanDerWaalsContact CE1-CZ 3.46Å
221N83.4Confident88.2Confident71 Ų7153.4 Ų53.438%0.3829%0.285SS..Hα-helixtrans-58.8-21.9175.1-61.410.7000113.3V219 I223 Q224 E256V219-N221 PolarHBondContact O-N 3.35Å; N221-I223 PolarHBondContact O-N 2.86Å; N221-Q224 PolarHBondContact O-N 3.14Å; N221-Q224 VanDerWaalsContact OD1-CD 3.31Å; N221-Q224 PolarHBondContact OD1-NE2 3.33Å; N221-Q224 PolarHBondContact OD1-OE1 2.75Å; N221-E256 PolarHBondContact OD1-OE1 3.33Å
222V82.5Confident88.2Confident59 Ų5951.4 Ų51.436%0.35827%0.271SS..Hα-helixtrans-58.7-32.9172.4175.10000111.8F168 P211 I213 V219 Y220F168-V222 HydrophobicContact CZ-CB 4.15Å; F168-V222 HydrophobicContact CZ-CG2 4.33Å; P211-V222 HydrophobicContact CG-CG1 4.46Å; I213-V222 HydrophobicContact CD1-CG1 4.26Å; V219-V222 HydrophobicContact CG2-CG2 3.94Å; V219-V222 WeakPolarHBondContact O-CB 3.44Å; V219-V222 VanDerWaalsContact O-CG2 3.31Å; V219-V222 WeakPolarHBondContact O-CG2 3.29Å; V219-V222 PolarHBondContact O-N 3.49Å; Y220-V222 PolarHBondContact O-N 3.43Å
223I83.7Confident88.3Confident16 Ų1651.1 Ų51.18%0.08227%0.269CS..Hα-helixtrans-97.7-10.2179.154.2167.4000114.5V166 V193 Y220 N221 N225 S226 F229 L233V166-I223 HydrophobicContact CG1-CD1 3.95Å; V166-I223 HydrophobicContact CG2-CD1 4.3Å; V193-I223 HydrophobicContact CB-CG2 4.33Å; V193-I223 HydrophobicContact CG1-CG2 3.87Å; V193-I223 HydrophobicContact CG2-CG2 3.48Å; V193-I223 VanDerWaalsContact CG2-CG2 3.48Å; Y220-I223 HydrophobicContact CD1-CD1 4.1Å; Y220-I223 HydrophobicContact CD1-CG1 3.95Å; Y220-I223 HydrophobicContact CD2-CD1 3.79Å; Y220-I223 HydrophobicContact CD2-CG1 4.29Å; Y220-I223 HydrophobicContact CE1-CD1 3.72Å; Y220-I223 HydrophobicContact CE1-CG1 3.92Å; Y220-I223 HydrophobicContact CE2-CD1 3.42Å; Y220-I223 VanDerWaalsContact CE2-CD1 3.42Å; Y220-I223 HydrophobicContact CE2-CG1 4.3Å; Y220-I223 HydrophobicContact CG-CD1 4.12Å; Y220-I223 HydrophobicContact CG-CG1 4.13Å; Y220-I223 WeakPolarHBondContact O-CG1 3.29Å; Y220-I223 PolarHBondContact O-N 2.81Å; N221-I223 PolarHBondContact O-N 2.86Å; I223-N225 VanDerWaalsContact C-N 3.28Å; I223-N225 PolarHBondContact O-N 2.75Å; I223-S226 WeakPolarHBondContact O-CB 3.41Å; I223-S226 PolarHBondContact O-N 3.19Å; I223-S226 PolarHBondContact O-OG 3.3Å; I223-F229 WeakPolarHBondContact O-CB 3.21Å; I223-L233 HydrophobicContact CD1-CD1 3.92Å
224Q83.1Confident88.2Confident41 Ų4152 Ų5219%0.19228%0.275CS..Hα-helixtrans-64.2-30-176.7-75-178.2-15.900113.7Y220 N221 S226 F229 E256Y220-Q224 HydrophobicContact CD1-CG 4.12Å; Y220-Q224 HydrophobicContact CE1-CG 4.46Å; Y220-Q224 PolarHBondContact O-N 3.29Å; N221-Q224 PolarHBondContact O-N 3.14Å; N221-Q224 VanDerWaalsContact OD1-CD 3.31Å; N221-Q224 PolarHBondContact OD1-NE2 3.33Å; N221-Q224 PolarHBondContact OD1-OE1 2.75Å; Q224-S226 PolarHBondContact O-N 3.48Å; Q224-F229 HydrophobicContact CB-CD1 4.32Å; Q224-F229 HydrophobicContact CB-CE1 4.32Å; Q224-F229 HydrophobicContact CB-CG 4.5Å; Q224-F229 HydrophobicContact CG-CD2 4.26Å; Q224-F229 HydrophobicContact CG-CE1 4.25Å; Q224-F229 HydrophobicContact CG-CE2 3.99Å; Q224-F229 HydrophobicContact CG-CZ 3.97Å; Q224-F229 WeakPolarHBondContact O-CD1 3.42Å; Q224-E256 PolarHBondContact NE2-OE2 2.96Å
225N81.1Confident88.2Confident157 Ų15756.9 Ų56.984%0.8430%0.297SS*.THydrogen-bonded Turntrans-85.317.8179.4-62.6-37.8000113.5I223I223-N225 VanDerWaalsContact C-N 3.28Å; I223-N225 PolarHBondContact O-N 2.75Å
226S86.3Confident88.6Confident40 Ų4057 Ų5728%0.2829%0.294SS..SBendtrans-103146.8-179.471.60000112I223 Q224 Y228 F229 E230I223-S226 WeakPolarHBondContact O-CB 3.41Å; I223-S226 PolarHBondContact O-N 3.19Å; I223-S226 PolarHBondContact O-OG 3.3Å; Q224-S226 PolarHBondContact O-N 3.48Å; S226-Y228 PolarHBondContact O-N 3.39Å; S226-F229 WeakPolarHBondContact O-CB 3.19Å; S226-F229 PolarHBondContact O-N 2.51Å; S226-F229 PolarHBondContact OG-N 3.41Å; S226-F229 VanDerWaalsContact OG-N 3.14Å; S226-E230 PolarHBondContact O-N 3.41Å; S226-E230 VanDerWaalsContact O-N 3.12Å
227E89.8Confident89Confident156 Ų15655.4 Ų55.473%0.72929%0.285SS*.Hα-helixtrans-55.1-35.9172.4-178-179.6-177.400111.6F229 E230 T231E227-F229 VanDerWaalsContact C-N 3.33Å; E227-F229 PolarHBondContact O-N 2.85Å; E227-E230 PolarHBondContact O-N 2.88Å; E227-T231 HydrophobicContact CG-CG2 4.09Å; E227-T231 WeakPolarHBondContact O-CB 3.45Å; E227-T231 WeakPolarHBondContact O-CG2 3.46Å; E227-T231 PolarHBondContact O-N 3.38Å; E227-T231 PolarHBondContact O-OG1 2.84Å
228Y90Very high89.3Confident65 Ų6553.9 Ų53.926%0.25528%0.277SS..Hα-helixtrans-63.4-38.8176.3-174.8-110.5000112.3P164 R191 S226 V232 L233P164-Y228 WeakPolarHBondContact CB-OH 3.18Å; R191-Y228 HydrophobicContact CB-CD1 4.37Å; R191-Y228 HydrophobicContact CB-CE1 3.79Å; R191-Y228 HydrophobicContact CG-CD1 4.13Å; R191-Y228 HydrophobicContact CG-CE1 4.06Å; S226-Y228 PolarHBondContact O-N 3.39Å; Y228-V232 HydrophobicContact CD2-CB 4.09Å; Y228-V232 HydrophobicContact CD2-CG2 3.8Å; Y228-V232 HydrophobicContact CE2-CB 3.83Å; Y228-V232 HydrophobicContact CE2-CG1 4.01Å; Y228-V232 HydrophobicContact CE2-CG2 3.68Å; Y228-V232 WeakPolarHBondContact O-CA 3.49Å; Y228-V232 VanDerWaalsContact O-CB 3.32Å; Y228-V232 WeakPolarHBondContact O-CB 3.37Å; Y228-V232 PolarHBondContact O-N 3.31Å; Y228-L233 HydrophobicContact CD1-CD1 3.71Å; Y228-L233 HydrophobicContact CD1-CD2 4.45Å; Y228-L233 HydrophobicContact CD1-CG 3.95Å; Y228-L233 HydrophobicContact CE1-CD1 3.75Å; Y228-L233 HydrophobicContact CE1-CD2 3.78Å; Y228-L233 HydrophobicContact CE1-CG 3.79Å; Y228-L233 PolarHBondContact O-N 3.1Å
229F90.8Very high89.6Confident24 Ų2453.1 Ų53.111%0.10527%0.274CS..Iπ-helixtrans-63.9-51.5173.3174.8-93.3000111Y220 I223 Q224 S226 E227 T231 L233 S234 F258Y220-F229 AromaticContact CE1-CD2 3.82Å; Y220-F229 HydrophobicContact CE1-CD2 3.82Å; Y220-F229 AromaticContact CE1-CE2 3.68Å; Y220-F229 HydrophobicContact CE1-CE2 3.68Å; I223-F229 WeakPolarHBondContact O-CB 3.21Å; Q224-F229 HydrophobicContact CB-CD1 4.32Å; Q224-F229 HydrophobicContact CB-CE1 4.32Å; Q224-F229 HydrophobicContact CB-CG 4.5Å; Q224-F229 HydrophobicContact CG-CD2 4.26Å; Q224-F229 HydrophobicContact CG-CE1 4.25Å; Q224-F229 HydrophobicContact CG-CE2 3.99Å; Q224-F229 HydrophobicContact CG-CZ 3.97Å; Q224-F229 WeakPolarHBondContact O-CD1 3.42Å; S226-F229 WeakPolarHBondContact O-CB 3.19Å; S226-F229 PolarHBondContact O-N 2.51Å; S226-F229 PolarHBondContact OG-N 3.41Å; S226-F229 VanDerWaalsContact OG-N 3.14Å; E227-F229 VanDerWaalsContact C-N 3.33Å; E227-F229 PolarHBondContact O-N 2.85Å; F229-T231 VanDerWaalsContact C-N 3.33Å; F229-T231 PolarHBondContact O-N 3.14Å; F229-L233 HydrophobicContact CB-CD1 4.44Å; F229-L233 HydrophobicContact CD2-CB 3.71Å; F229-L233 HydrophobicContact CD2-CD1 4.31Å; F229-L233 HydrophobicContact CE2-CB 4.32Å; F229-L233 HydrophobicContact CG-CB 4.39Å; F229-L233 CarbonylContact O-C 3.46Å; F229-L233 PolarHBondContact O-N 3.35Å; F229-S234 VanDerWaalsContact O-CB 3.29Å; F229-S234 WeakPolarHBondContact O-CB 3.39Å; F229-S234 PolarHBondContact O-N 2.97Å; F229-S234 PolarHBondContact O-OG 3.19Å; F229-F258 HydrophobicContact CE2-CD1 4.02Å; F229-F258 HydrophobicContact CE2-CD2 4.34Å; F229-F258 AromaticContact CE2-CE1 3.85Å; F229-F258 HydrophobicContact CE2-CE1 3.85Å; F229-F258 HydrophobicContact CE2-CE2 4.16Å; F229-F258 HydrophobicContact CE2-CG 4.3Å; F229-F258 AromaticContact CE2-CZ 3.92Å; F229-F258 HydrophobicContact CE2-CZ 3.92Å; F229-F258 AromaticContact CZ-CD1 3.73Å; F229-F258 HydrophobicContact CZ-CD1 3.73Å; F229-F258 AromaticContact CZ-CE1 3.93Å; F229-F258 HydrophobicContact CZ-CE1 3.93Å; F229-F258 HydrophobicContact CZ-CG 4.14Å; F229-F258 HydrophobicContact CZ-CZ 4.45Å
230E89.4Confident90.1Very high136 Ų13649.8 Ų49.864%0.63625%0.254SS*.Iπ-helixtrans-58.6-43-178.4-67.7-174.8168.600112.7S226 E227 S234S226-E230 PolarHBondContact O-N 3.41Å; S226-E230 VanDerWaalsContact O-N 3.12Å; E227-E230 PolarHBondContact O-N 2.88Å; E230-S234 PolarHBondContact O-OG 3.28Å
231T90.3Very high90.8Very high82 Ų8249.8 Ų49.850%0.50325%0.254SS..Iπ-helixtrans-86.5-31.1-17356.90000114.1E227 F229E227-T231 HydrophobicContact CG-CG2 4.09Å; E227-T231 WeakPolarHBondContact O-CB 3.45Å; E227-T231 WeakPolarHBondContact O-CG2 3.46Å; E227-T231 PolarHBondContact O-N 3.38Å; E227-T231 PolarHBondContact O-OG1 2.84Å; F229-T231 VanDerWaalsContact C-N 3.33Å; F229-T231 PolarHBondContact O-N 3.14Å
232V92.1Very high91.6Very high37 Ų3746.4 Ų46.422%0.22424%0.236CC..Iπ-helixtrans-117.9-50.8-172-175.80000112.8P164 Y228 R236P164-V232 HydrophobicContact CB-CG1 4.35Å; P164-V232 HydrophobicContact CG-CG1 4.28Å; Y228-V232 HydrophobicContact CD2-CB 4.09Å; Y228-V232 HydrophobicContact CD2-CG2 3.8Å; Y228-V232 HydrophobicContact CE2-CB 3.83Å; Y228-V232 HydrophobicContact CE2-CG1 4.01Å; Y228-V232 HydrophobicContact CE2-CG2 3.68Å; Y228-V232 WeakPolarHBondContact O-CA 3.49Å; Y228-V232 VanDerWaalsContact O-CB 3.32Å; Y228-V232 WeakPolarHBondContact O-CB 3.37Å; Y228-V232 PolarHBondContact O-N 3.31Å; V232-R236 VanDerWaalsContact O-CG 3.32Å; V232-R236 WeakPolarHBondContact O-CG 3.31Å
233L94.3Very high92.3Very high0 Ų043.6 Ų43.60%022%0.219CC..Iπ-helixtrans-87.2-28-167.8-52.8176.4000113.7Q50 P164 V166 Y220 I223 Y228 F229 K235 R236Q50-L233 PolarHBondContact NE2-O 2.9Å; P164-L233 HydrophobicContact CB-CD2 3.84Å; P164-L233 HydrophobicContact CG-CD2 3.72Å; V166-L233 HydrophobicContact CG2-CD1 3.97Å; V166-L233 HydrophobicContact CG2-CD2 4.2Å; Y220-L233 WeakPolarHBondContact OH-CD1 3.41Å; I223-L233 HydrophobicContact CD1-CD1 3.92Å; Y228-L233 HydrophobicContact CD1-CD1 3.71Å; Y228-L233 HydrophobicContact CD1-CD2 4.45Å; Y228-L233 HydrophobicContact CD1-CG 3.95Å; Y228-L233 HydrophobicContact CE1-CD1 3.75Å; Y228-L233 HydrophobicContact CE1-CD2 3.78Å; Y228-L233 HydrophobicContact CE1-CG 3.79Å; Y228-L233 PolarHBondContact O-N 3.1Å; F229-L233 HydrophobicContact CB-CD1 4.44Å; F229-L233 HydrophobicContact CD2-CB 3.71Å; F229-L233 HydrophobicContact CD2-CD1 4.31Å; F229-L233 HydrophobicContact CE2-CB 4.32Å; F229-L233 HydrophobicContact CG-CB 4.39Å; F229-L233 CarbonylContact O-C 3.46Å; F229-L233 PolarHBondContact O-N 3.35Å; L233-K235 PolarHBondContact O-N 3.06Å; L233-K235 VanDerWaalsContact O-N 3.09Å; L233-R236 WeakPolarHBondContact O-CB 3.49Å; L233-R236 PolarHBondContact O-N 3.27Å
234S92.5Very high93Very high21 Ų2144.5 Ų44.515%0.14722%0.224CC..THydrogen-bonded Turntrans-61.6-18.9-176.667.50000114.5F229 E230 F258 S259F229-S234 VanDerWaalsContact O-CB 3.29Å; F229-S234 WeakPolarHBondContact O-CB 3.39Å; F229-S234 PolarHBondContact O-N 2.97Å; F229-S234 PolarHBondContact O-OG 3.19Å; E230-S234 PolarHBondContact O-OG 3.28Å; S234-F258 VanDerWaalsContact O-CB 3.26Å; S234-F258 WeakPolarHBondContact O-CB 3.39Å; S234-S259 PolarHBondContact O-OG 3.12Å
235K94.2Very high93.5Very high107 Ų10744 Ų4447%0.46523%0.225SC..THydrogen-bonded Turntrans-97.2-9.1173.768.6-175.8-179.3-171.50113.3Y48 L233 I237Y48-K235 WeakPolarHBondContact CD1-O 3.31Å; L233-K235 PolarHBondContact O-N 3.06Å; L233-K235 VanDerWaalsContact O-N 3.09Å; K235-I237 PolarHBondContact O-N 3.06Å
236R95.9Very high94.1Very high24 Ų2438.7 Ų38.79%0.09120%0.198CC..  trans-92.775.3-175-52.5-60-169.8141.66.2110.3P46 E47 Y48 M49 Q50 S162 P164 V232 L233P46-R236 PolarHBondContact O-NH1 3.28Å; E47-R236 VanDerWaalsContact C-NH1 3.29Å; E47-R236 WeakPolarHBondContact O-CD 3.17Å; E47-R236 PolarHBondContact O-NE 2.66Å; E47-R236 PolarHBondContact O-NH1 3.46Å; Y48-R236 CarbonylContact O-C 3.48Å; Y48-R236 WeakPolarHBondContact O-CA 2.91Å; M49-R236 VanDerWaalsContact O-CD 3.28Å; M49-R236 WeakPolarHBondContact O-CD 3.49Å; Q50-R236 HydrophobicContact CB-CB 3.77Å; Q50-R236 HydrophobicContact CB-CG 4.28Å; Q50-R236 HydrophobicContact CG-CB 3.8Å; Q50-R236 PolarHBondContact NE2-O 2.93Å; S162-R236 PolarHBondContact O-NH1 3.46Å; S162-R236 PolarHBondContact O-NH2 3.17Å; P164-R236 HydrophobicContact CG-CG 4.11Å; V232-R236 VanDerWaalsContact O-CG 3.32Å; V232-R236 WeakPolarHBondContact O-CG 3.31Å; L233-R236 WeakPolarHBondContact O-CB 3.49Å; L233-R236 PolarHBondContact O-N 3.27Å
237I95.9Very high94.5Very high8 Ų837.9 Ų37.94%0.04119%0.192CC..  trans-77.2-18.6-173.667.4173.7000114Y44 Y48 K235 F258 E261 V263 I264Y44-I237 HydrophobicContact CD1-CD1 4.12Å; Y44-I237 HydrophobicContact CD2-CD1 4.27Å; Y44-I237 HydrophobicContact CE1-CD1 3.71Å; Y44-I237 HydrophobicContact CE2-CD1 3.89Å; Y44-I237 HydrophobicContact CG-CD1 4.4Å; Y48-I237 HydrophobicContact CD1-CG1 4.38Å; Y48-I237 PolarHBondContact O-N 2.72Å; K235-I237 PolarHBondContact O-N 3.06Å; I237-F258 HydrophobicContact CG2-CB 4.2Å; I237-E261 HydrophobicContact CD1-CB 4.3Å; I237-E261 HydrophobicContact CG2-CB 4.24Å; I237-V263 WeakPolarHBondContact O-CA 3.29Å; I237-I264 PolarHBondContact O-N 3.15Å
238C97.7Very high94.8Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-94.3112.9177.3-65.40000109.8F41 Y48 M49 Q50 I264F41-C238 HydrophobicContact CD1-CB 3.85Å; F41-C238 HydrophobicContact CD2-CB 3.92Å; F41-C238 HydrophobicContact CE1-CB 3.76Å; F41-C238 HydrophobicContact CE2-CB 3.83Å; F41-C238 HydrophobicContact CG-CB 3.97Å; F41-C238 HydrophobicContact CZ-CB 3.77Å; Y48-C238 PolarHBondContact O-N 3.05Å; M49-C238 CarbonylContact C-O 3.6Å; M49-C238 VanDerWaalsContact CA-O 3.24Å; M49-C238 WeakPolarHBondContact CA-O 3.38Å; M49-C238 HydrophobicContact CG-CB 3.96Å; Q50-C238 PolarHBondContact N-O 3.49Å; C238-I264 CarbonylContact C-O 3.07Å; C238-I264 WeakPolarHBondContact CA-O 3.18Å
239I97.9Very high95.1Very high0 Ų027.6 Ų27.60%015%0.148CC..EExtended strand (participates in β ladder)trans-118.4115.6-170.3-47.1178.8000111.2F41 Q50 V52 L241 I252 F258 V263 I264 V265 I266F41-I239 VanDerWaalsContact CZ-N 3.29Å; F41-I239 WeakPolarHBondContact CZ-O 3.43Å; Q50-I239 HydrophobicContact CG-CB 4.26Å; Q50-I239 HydrophobicContact CG-CD1 4.47Å; Q50-I239 HydrophobicContact CG-CG1 3.77Å; Q50-I239 HydrophobicContact CG-CG2 4.06Å; Q50-I239 WeakPolarHBondContact O-CA 3.15Å; V52-I239 HydrophobicContact CB-CG2 4.27Å; V52-I239 HydrophobicContact CG2-CG2 3.7Å; I239-L241 PolarHBondContact O-N 3.04Å; I239-I252 HydrophobicContact CB-CD1 4.11Å; I239-I252 HydrophobicContact CD1-CD1 3.58Å; I239-I252 HydrophobicContact CD1-CG2 4.21Å; I239-I252 HydrophobicContact CG1-CD1 4.41Å; I239-I252 HydrophobicContact CG2-CD1 3.38Å; I239-F258 HydrophobicContact CD1-CE2 3.6Å; I239-F258 HydrophobicContact CD1-CZ 4.03Å; I239-V263 HydrophobicContact CD1-CB 4.14Å; I239-V263 HydrophobicContact CD1-CG1 4.12Å; I239-I264 PolarHBondContact N-O 3.22Å; I239-V265 HydrophobicContact CB-CG1 4.47Å; I239-V265 HydrophobicContact CB-CG2 4.4Å; I239-V265 CarbonylContact O-C 3.51Å; I239-V265 VanDerWaalsContact O-CA 3.32Å; I239-V265 WeakPolarHBondContact O-CA 3.42Å; I239-I266 PolarHBondContact O-N 3.3Å
240L98.4Very high95.2Very high1 Ų132 Ų321%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-85108.5167.1-172.565.1000108.2Q50 V51 V52 F154 V242 I266 I268Q50-L240 PolarHBondContact O-N 3.46Å; V51-L240 CarbonylContact C-O 3.51Å; V51-L240 VanDerWaalsContact CA-O 3.32Å; V51-L240 WeakPolarHBondContact CA-O 3.44Å; V51-L240 WeakPolarHBondContact CG1-O 3.43Å; V51-L240 HydrophobicContact CG2-CB 4.2Å; V52-L240 PolarHBondContact N-O 3.33Å; F154-L240 HydrophobicContact CE2-CD2 4.3Å; F154-L240 HydrophobicContact CZ-CD2 4.13Å; L240-V242 HydrophobicContact CG-CG2 4.25Å; L240-I266 HydrophobicContact CD1-CB 4.01Å; L240-I266 HydrophobicContact CD1-CG2 3.82Å; L240-I268 HydrophobicContact CD1-CD1 3.77Å; L240-I268 HydrophobicContact CD1-CG1 4.06Å; L240-I268 HydrophobicContact CG-CD1 4.44Å
241L98.5Very high95.5Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-98128.6178.8-175.6157.7000109.3V52 I239 M251 I252 V265 I266 R267 I268 Y286V52-L241 CarbonylContact O-C 3.6Å; V52-L241 VanDerWaalsContact O-CA 3.28Å; V52-L241 WeakPolarHBondContact O-CA 3.32Å; I239-L241 PolarHBondContact O-N 3.04Å; L241-M251 HydrophobicContact CD1-CB 4.1Å; L241-I252 HydrophobicContact CD1-CB 4.3Å; L241-I252 HydrophobicContact CD1-CD1 4.22Å; L241-I252 HydrophobicContact CD1-CG1 4.12Å; L241-V265 HydrophobicContact CB-CG1 3.83Å; L241-V265 HydrophobicContact CD1-CG1 4.32Å; L241-I266 PolarHBondContact N-O 2.73Å; L241-R267 HydrophobicContact CB-CG 4.22Å; L241-R267 HydrophobicContact CD2-CB 4.47Å; L241-R267 HydrophobicContact CD2-CG 4.26Å; L241-R267 CarbonylContact O-C 3.54Å; L241-R267 WeakPolarHBondContact O-CA 3.26Å; L241-I268 PolarHBondContact O-N 3.05Å; L241-Y286 HydrophobicContact CD2-CE1 4.14Å
242V98.7Very high95.7Very high0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-129.3128-179.4-168.10000109.8V52 C53 D54 T58 L240 I268 F270 F296V52-V242 PolarHBondContact O-N 3.2Å; C53-V242 WeakPolarHBondContact CA-O 3.35Å; C53-V242 HydrophobicContact CB-CB 4.44Å; D54-V242 PolarHBondContact N-O 2.94Å; T58-V242 HydrophobicContact CG2-CB 4.42Å; T58-V242 HydrophobicContact CG2-CG1 3.83Å; L240-V242 HydrophobicContact CG-CG2 4.25Å; V242-I268 WeakPolarHBondContact CA-O 3.34Å; V242-I268 HydrophobicContact CG1-CB 4.44Å; V242-I268 HydrophobicContact CG2-CB 4.4Å; V242-F270 HydrophobicContact CG1-CD2 3.91Å; V242-F270 HydrophobicContact CG1-CE2 3.58Å; V242-F296 HydrophobicContact CG1-CE1 4.4Å; V242-F296 HydrophobicContact CG1-CZ 4.35Å
243G98.3Very high95.7Very high0 Ų024.8 Ų24.80%013%0.128CC..EExtended strand (participates in β ladder)trans-159.2171.4-179.100000112.7I268 G269 F270G243-I268 PolarHBondContact N-O 3.44Å; G243-I268 VanDerWaalsContact N-O 3.1Å; G243-G269 CarbonylContact O-C 3.54Å; G243-G269 VanDerWaalsContact O-CA 3.3Å; G243-G269 WeakPolarHBondContact O-CA 3.5Å; G243-F270 PolarHBondContact O-N 3.41Å
244D97.2Very high95.4Very high36 Ų3628 Ų2819%0.19315%0.145CC..SBendtrans-119.7-2.818085.3-50.8000113.5H57 T58 D248 F270 N272 F282H57-D244 WeakPolarHBondContact O-CB 3.38Å; T58-D244 WeakPolarHBondContact OG1-CB 3.2Å; T58-D244 PolarHBondContact OG1-N 3.43Å; T58-D244 VanDerWaalsContact OG1-N 3.1Å; T58-D244 PolarHBondContact OG1-OD1 2.95Å; D244-D248 PolarHBondContact N-OD2 2.75Å; D244-F270 VanDerWaalsContact CA-O 3.27Å; D244-F270 WeakPolarHBondContact CA-O 3.42Å; D244-F270 HydrophobicContact CB-CB 4.16Å; D244-F270 WeakPolarHBondContact CB-O 3.48Å; D244-N272 WeakPolarHBondContact CB-ND2 3.41Å; D244-N272 PolarHBondContact OD2-ND2 3.13Å; D244-N272 VanDerWaalsContact OD2-ND2 3.14Å; D244-F282 WeakPolarHBondContact O-CZ 3.44Å
245S95.3Very high95.2Very high31 Ų3133.2 Ų33.222%0.21717%0.169CC..SBendtrans-120.1164.8179.178.90000112.8S247 D248 Y286S245-S247 PolarHBondContact O-N 3.18Å; S245-S247 PolarHBondContact OG-N 3.15Å; S245-D248 VanDerWaalsContact CB-OD2 3.3Å; S245-D248 WeakPolarHBondContact CB-OD2 3.38Å; S245-D248 PolarHBondContact N-OD2 3.32Å; S245-D248 PolarHBondContact O-N 3.39Å; S245-D248 PolarHBondContact OG-N 2.88Å; S245-D248 PolarHBondContact OG-OD2 2.88Å; S245-Y286 PolarHBondContact O-OH 3.38Å
246T93.9Very high95Very high44 Ų4430 Ų3027%0.2716%0.155SC..THydrogen-bonded Turntrans-69.5-22.1173.656.20000112.7L281 F282 L285T246-L281 HydrophobicContact CG2-CD2 3.65Å; T246-L281 HydrophobicContact CG2-CG 3.83Å; T246-F282 HydrophobicContact CG2-CD2 4.13Å; T246-F282 HydrophobicContact CG2-CE2 3.76Å; T246-L285 HydrophobicContact CG2-CD1 3.77Å
247S92.7Very high94.7Very high23 Ų2335.2 Ų35.216%0.16118%0.179CC..THydrogen-bonded Turntrans-74.3-35.2176.2-55.70000111.6S215 S245 A249 K250S215-S247 WeakPolarHBondContact O-CB 3.33Å; S245-S247 PolarHBondContact O-N 3.18Å; S245-S247 PolarHBondContact OG-N 3.15Å; S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 PolarHBondContact O-N 2.78Å; S247-K250 WeakPolarHBondContact O-CA 3.27Å; S247-K250 WeakPolarHBondContact O-CB 3.47Å; S247-K250 PolarHBondContact O-N 3.44Å
248D96.8Very high94.4Very high0 Ų035 Ų350%018%0.177CC..G310 helixtrans-64.8-36.3179.1-57.7-45.6000111.8K218 D244 S245 K250 M251K218-D248 IonicContact NZ-OD1 3.2Å; K218-D248 PolarHBondContact NZ-OD1 3.22Å; D244-D248 PolarHBondContact N-OD2 2.75Å; S245-D248 VanDerWaalsContact CB-OD2 3.3Å; S245-D248 WeakPolarHBondContact CB-OD2 3.38Å; S245-D248 PolarHBondContact N-OD2 3.32Å; S245-D248 PolarHBondContact O-N 3.39Å; S245-D248 PolarHBondContact OG-N 2.88Å; S245-D248 PolarHBondContact OG-OD2 2.88Å; D248-K250 PolarHBondContact O-N 3.14Å; D248-M251 HydrophobicContact CB-CE 3.62Å; D248-M251 WeakPolarHBondContact O-CB 3.13Å; D248-M251 VanDerWaalsContact O-CG 3.23Å; D248-M251 WeakPolarHBondContact O-CG 3.46Å; D248-M251 PolarHBondContact O-N 2.69Å; D248-M251 WeakPolarHBondContact OD1-CE 3.48Å
249A95.8Very high93.7Very high5 Ų538.2 Ų38.24%0.04120%0.2CC..G310 helixtrans-56.9-24.1173.500000113.2S247 R267 L285 Y286S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 PolarHBondContact O-N 2.78Å; A249-R267 PolarHBondContact O-NE 2.62Å; A249-L285 HydrophobicContact CB-CB 3.91Å; A249-L285 HydrophobicContact CB-CD1 4.48Å; A249-Y286 HydrophobicContact CB-CD2 4.44Å; A249-Y286 HydrophobicContact CB-CE1 4.02Å; A249-Y286 HydrophobicContact CB-CE2 3.9Å; A249-Y286 PolarHBondContact N-OH 3.17Å
250K94.1Very high93.1Very high118 Ų11848.5 Ų48.551%0.51324%0.241SC..G310 helixtrans-95.35-179.4-56.3178-179.2-179.40113.5S247 D248 I252S247-K250 WeakPolarHBondContact O-CA 3.27Å; S247-K250 WeakPolarHBondContact O-CB 3.47Å; S247-K250 PolarHBondContact O-N 3.44Å; D248-K250 PolarHBondContact O-N 3.14Å; K250-I252 PolarHBondContact O-N 2.88Å; K250-I252 VanDerWaalsContact O-N 3.14Å
251M95Very high92.8Very high3 Ų353.6 Ų53.62%0.01526%0.264CS..SBendtrans-56.1-32.9176.7-71.8177.9-167.400112.1V52 D54 F168 K218 Y220 L241 D248V52-M251 HydrophobicContact CG1-SD 3.73Å; D54-M251 HydrophobicContact CB-CE 3.94Å; F168-M251 HydrophobicContact CB-CE 4.37Å; F168-M251 HydrophobicContact CB-SD 4.03Å; F168-M251 HydrophobicContact CD1-CG 4.48Å; F168-M251 HydrophobicContact CD1-SD 4.27Å; F168-M251 HydrophobicContact CG-SD 4.44Å; F168-M251 WeakPolarHBondContact O-CE 3.38Å; K218-M251 HydrophobicContact CB-CE 4.43Å; K218-M251 HydrophobicContact CB-CG 4.02Å; K218-M251 HydrophobicContact CD-CE 3.51Å; K218-M251 VanDerWaalsContact O-CA 3.32Å; K218-M251 WeakPolarHBondContact O-CA 3.26Å; Y220-M251 WeakPolarHBondContact CB-O 3.38Å; Y220-M251 PolarHBondContact N-O 2.81Å; L241-M251 HydrophobicContact CD1-CB 4.1Å; D248-M251 HydrophobicContact CB-CE 3.62Å; D248-M251 WeakPolarHBondContact O-CB 3.13Å; D248-M251 VanDerWaalsContact O-CG 3.23Å; D248-M251 WeakPolarHBondContact O-CG 3.46Å; D248-M251 PolarHBondContact O-N 2.69Å; D248-M251 WeakPolarHBondContact OD1-CE 3.48Å
252I94Very high92.6Very high3 Ų358 Ų582%0.01529%0.285CS..SBendtrans-129.7125.4-177.9-52.3177.7000108.7V52 Y220 I239 L241 K250 E256 V263 V265 R267V52-I252 HydrophobicContact CB-CD1 4.25Å; V52-I252 HydrophobicContact CG2-CD1 3.84Å; Y220-I252 HydrophobicContact CD2-CD1 4Å; Y220-I252 HydrophobicContact CD2-CG1 3.91Å; Y220-I252 HydrophobicContact CE2-CD1 4.35Å; Y220-I252 HydrophobicContact CG-CG1 4.17Å; I239-I252 HydrophobicContact CB-CD1 4.11Å; I239-I252 HydrophobicContact CD1-CD1 3.58Å; I239-I252 HydrophobicContact CD1-CG2 4.21Å; I239-I252 HydrophobicContact CG1-CD1 4.41Å; I239-I252 HydrophobicContact CG2-CD1 3.38Å; L241-I252 HydrophobicContact CD1-CB 4.3Å; L241-I252 HydrophobicContact CD1-CD1 4.22Å; L241-I252 HydrophobicContact CD1-CG1 4.12Å; K250-I252 PolarHBondContact O-N 2.88Å; K250-I252 VanDerWaalsContact O-N 3.14Å; I252-E256 HydrophobicContact CG2-CG 4.5Å; I252-V263 HydrophobicContact CG2-CG2 4.08Å; I252-V265 HydrophobicContact CB-CG2 4.48Å; I252-V265 HydrophobicContact CG2-CG2 3.91Å; I252-R267 PolarHBondContact O-NH2 2.92Å
253D92Very high92.4Very high97 Ų9758.4 Ų58.452%0.51929%0.287SS..  trans-78.3135.8169.6-172.1-25.4000109.4M255 E256D253-M255 PolarHBondContact O-N 3.35Å; D253-M255 VanDerWaalsContact O-N 3.14Å; D253-M255 WeakPolarHBondContact OD1-CB 3.48Å; D253-M255 PolarHBondContact OD1-N 2.79Å; D253-E256 HydrophobicContact CB-CG 4.12Å; D253-E256 VanDerWaalsContact O-CB 3.28Å; D253-E256 WeakPolarHBondContact O-CB 3.34Å; D253-E256 WeakPolarHBondContact O-CG 3.25Å; D253-E256 PolarHBondContact O-N 3Å
254D88.5Confident92.4Very high66 Ų6659.6 Ų59.635%0.35329%0.294SS..THydrogen-bonded Turntrans-62.2-17.8176.3-73.8-20.2000112.5Q262 R267D254-Q262 WeakPolarHBondContact O-CG 3.24Å; D254-Q262 PolarHBondContact O-NE2 2.92Å; D254-R267 IonicContact OD1-CZ 3.34Å; D254-R267 IonicContact OD1-NH1 3.79Å; D254-R267 PolarHBondContact OD1-NH1 3.35Å; D254-R267 IonicContact OD1-NH2 2.76Å; D254-R267 PolarHBondContact OD1-NH2 3.5Å; D254-R267 IonicContact OD2-NH1 3.79Å; D254-R267 PolarHBondContact OD2-NH1 3.07Å; D254-R267 IonicContact OD2-NH2 2.76Å
255M89.2Confident92.4Very high131 Ų13158 Ų5865%0.64529%0.285SS*.THydrogen-bonded Turntrans-86.3-5.9176.6-59.5-57.1-62.200113.7D253D253-M255 PolarHBondContact O-N 3.35Å; D253-M255 VanDerWaalsContact O-N 3.14Å; D253-M255 WeakPolarHBondContact OD1-CB 3.48Å; D253-M255 PolarHBondContact OD1-N 2.79Å
256E89.7Confident92.5Very high40 Ų4056.5 Ų56.519%0.18728%0.275CS..  trans-57.8145.3175.4-78.5-68.4149.400111N221 Q224 I252 D253 F258 V263N221-E256 PolarHBondContact OD1-OE1 3.33Å; Q224-E256 PolarHBondContact NE2-OE2 2.96Å; I252-E256 HydrophobicContact CG2-CG 4.5Å; D253-E256 HydrophobicContact CB-CG 4.12Å; D253-E256 VanDerWaalsContact O-CB 3.28Å; D253-E256 WeakPolarHBondContact O-CB 3.34Å; D253-E256 WeakPolarHBondContact O-CG 3.25Å; D253-E256 PolarHBondContact O-N 3Å; E256-F258 HydrophobicContact CB-CE1 4.32Å; E256-V263 HydrophobicContact CB-CG1 4.21Å; E256-V263 HydrophobicContact CB-CG2 3.83Å; E256-V263 PolarHBondContact O-N 2.81Å
257K89.7Confident92.7Very high134 Ų13455.3 Ų55.358%0.58327%0.265SS*.EExtended strand (participates in β ladder)trans-127.4122.6178.2-67.5-170.8178.4-171.50111E261K257-E261 CarbonylContact C-O 3.54Å; K257-E261 WeakPolarHBondContact CA-O 3.44Å
258F89.1Confident93Very high2 Ų254.2 Ų54.21%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-108128.4172.2-59.1-10.8000108.6Y220 F229 S234 I237 I239 E256 Y260 E261 V263Y220-F258 HydrophobicContact CD1-CE1 4.43Å; Y220-F258 AromaticContact CD1-CZ 3.88Å; Y220-F258 HydrophobicContact CD1-CZ 3.88Å; Y220-F258 HydrophobicContact CE1-CE1 4.22Å; Y220-F258 HydrophobicContact CE1-CE2 4.11Å; Y220-F258 AromaticContact CE1-CZ 3.46Å; Y220-F258 HydrophobicContact CE1-CZ 3.46Å; Y220-F258 VanDerWaalsContact CE1-CZ 3.46Å; F229-F258 HydrophobicContact CE2-CD1 4.02Å; F229-F258 HydrophobicContact CE2-CD2 4.34Å; F229-F258 AromaticContact CE2-CE1 3.85Å; F229-F258 HydrophobicContact CE2-CE1 3.85Å; F229-F258 HydrophobicContact CE2-CE2 4.16Å; F229-F258 HydrophobicContact CE2-CG 4.3Å; F229-F258 AromaticContact CE2-CZ 3.92Å; F229-F258 HydrophobicContact CE2-CZ 3.92Å; F229-F258 AromaticContact CZ-CD1 3.73Å; F229-F258 HydrophobicContact CZ-CD1 3.73Å; F229-F258 AromaticContact CZ-CE1 3.93Å; F229-F258 HydrophobicContact CZ-CE1 3.93Å; F229-F258 HydrophobicContact CZ-CG 4.14Å; F229-F258 HydrophobicContact CZ-CZ 4.45Å; S234-F258 VanDerWaalsContact O-CB 3.26Å; S234-F258 WeakPolarHBondContact O-CB 3.39Å; I237-F258 HydrophobicContact CG2-CB 4.2Å; I239-F258 HydrophobicContact CD1-CE2 3.6Å; I239-F258 HydrophobicContact CD1-CZ 4.03Å; E256-F258 HydrophobicContact CB-CE1 4.32Å; F258-Y260 PolarHBondContact O-N 3.28Å; F258-E261 PolarHBondContact N-O 2.92Å; F258-E261 PolarHBondContact O-N 2.9Å; F258-V263 HydrophobicContact CB-CG1 4.41Å; F258-V263 HydrophobicContact CD1-CG1 3.86Å; F258-V263 HydrophobicContact CD2-CG1 3.66Å; F258-V263 HydrophobicContact CE1-CG1 3.91Å; F258-V263 HydrophobicContact CE2-CG1 3.74Å; F258-V263 HydrophobicContact CG-CG1 3.7Å; F258-V263 HydrophobicContact CZ-CG1 3.85Å
259S83.9Confident93.1Very high69 Ų6954.2 Ų54.248%0.48326%0.257SS..THydrogen-bonded Turntrans50.742.1-178.2-56.80000113.6S234 E261S234-S259 PolarHBondContact O-OG 3.12Å; S259-E261 PolarHBondContact O-N 3.34Å
260Y85.2Confident93.2Very high215 Ų21554 Ų5484%0.84326%0.255SS*.THydrogen-bonded Turntrans70.4-4.6-177.9-47.2-78.2000116.6F258F258-Y260 PolarHBondContact O-N 3.28Å
261E91Very high93.3Very high108 Ų10848.5 Ų48.551%0.50523%0.232SC..EExtended strand (participates in β ladder)trans-97.2142176.2-66.7-66.1171.800110.8I237 K257 F258 S259I237-E261 HydrophobicContact CD1-CB 4.3Å; I237-E261 HydrophobicContact CG2-CB 4.24Å; K257-E261 CarbonylContact C-O 3.54Å; K257-E261 WeakPolarHBondContact CA-O 3.44Å; F258-E261 PolarHBondContact N-O 2.92Å; F258-E261 PolarHBondContact O-N 2.9Å; S259-E261 PolarHBondContact O-N 3.34Å
262Q94.2Very high93.3Very high94 Ų9449.3 Ų49.344%0.43924%0.236SC..EExtended strand (participates in β ladder)trans-70.4136.6175.6-174.1171.6-4.200110.1D254D254-Q262 WeakPolarHBondContact O-CG 3.24Å; D254-Q262 PolarHBondContact O-NE2 2.92Å
263V95.4Very high93.1Very high7 Ų754.7 Ų54.74%0.04226%0.261CS..PPolyproline II helixtrans-68.2151176.7-600000111.3I237 I239 I252 E256 F258 V265I237-V263 WeakPolarHBondContact O-CA 3.29Å; I239-V263 HydrophobicContact CD1-CB 4.14Å; I239-V263 HydrophobicContact CD1-CG1 4.12Å; I252-V263 HydrophobicContact CG2-CG2 4.08Å; E256-V263 HydrophobicContact CB-CG1 4.21Å; E256-V263 HydrophobicContact CB-CG2 3.83Å; E256-V263 PolarHBondContact O-N 2.81Å; F258-V263 HydrophobicContact CB-CG1 4.41Å; F258-V263 HydrophobicContact CD1-CG1 3.86Å; F258-V263 HydrophobicContact CD2-CG1 3.66Å; F258-V263 HydrophobicContact CE1-CG1 3.91Å; F258-V263 HydrophobicContact CE2-CG1 3.74Å; F258-V263 HydrophobicContact CG-CG1 3.7Å; F258-V263 HydrophobicContact CZ-CG1 3.85Å; V263-V265 HydrophobicContact CB-CG2 4.45Å; V263-V265 HydrophobicContact CG2-CG2 3.91Å
264I96.9Very high92.7Very high26 Ų2656.7 Ų56.713%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-121.3109.9178.9-50177.4000106.8K37 D40 F41 Y44 I237 C238 I239K37-I264 HydrophobicContact CB-CG2 4.34Å; K37-I264 HydrophobicContact CG-CG2 4.39Å; D40-I264 HydrophobicContact CB-CD1 3.48Å; D40-I264 VanDerWaalsContact CB-CD1 3.48Å; D40-I264 HydrophobicContact CB-CG2 4.14Å; F41-I264 HydrophobicContact CD2-CG2 4.12Å; F41-I264 HydrophobicContact CE2-CB 4.26Å; F41-I264 HydrophobicContact CE2-CG2 3.9Å; F41-I264 VanDerWaalsContact CE2-O 3.25Å; F41-I264 WeakPolarHBondContact CE2-O 3.22Å; Y44-I264 HydrophobicContact CD2-CD1 4.14Å; Y44-I264 HydrophobicContact CE2-CD1 3.65Å; I237-I264 PolarHBondContact O-N 3.15Å; C238-I264 CarbonylContact C-O 3.07Å; C238-I264 WeakPolarHBondContact CA-O 3.18Å; I239-I264 PolarHBondContact N-O 3.22Å
265V97.6Very high92.8Very high2 Ų256.8 Ų56.81%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-112121.6-171-1680000110.6K37 I239 L241 I252 V263 R267K37-V265 VanDerWaalsContact CD-O 3.24Å; K37-V265 WeakPolarHBondContact CD-O 3.47Å; K37-V265 WeakPolarHBondContact CE-O 3.49Å; K37-V265 PolarHBondContact NZ-O 3.02Å; I239-V265 HydrophobicContact CB-CG1 4.47Å; I239-V265 HydrophobicContact CB-CG2 4.4Å; I239-V265 CarbonylContact O-C 3.51Å; I239-V265 VanDerWaalsContact O-CA 3.32Å; I239-V265 WeakPolarHBondContact O-CA 3.42Å; L241-V265 HydrophobicContact CB-CG1 3.83Å; L241-V265 HydrophobicContact CD1-CG1 4.32Å; I252-V265 HydrophobicContact CB-CG2 4.48Å; I252-V265 HydrophobicContact CG2-CG2 3.91Å; V263-V265 HydrophobicContact CB-CG2 4.45Å; V263-V265 HydrophobicContact CG2-CG2 3.91Å; V265-R267 HydrophobicContact CG1-CG 3.79Å
266I98.3Very high92.9Very high0 Ų056.6 Ų56.60%027%0.268CS..EExtended strand (participates in β ladder)trans-98.2120.6164.5-66.6174000107.2I34 K37 L38 F41 I239 L240 L241 D287I34-I266 HydrophobicContact CD1-CG2 4.43Å; K37-I266 HydrophobicContact CB-CD1 4.03Å; K37-I266 HydrophobicContact CB-CG1 3.62Å; K37-I266 HydrophobicContact CD-CG1 4.08Å; K37-I266 HydrophobicContact CG-CG1 4.47Å; L38-I266 HydrophobicContact CD2-CD1 3.88Å; L38-I266 HydrophobicContact CG-CD1 4.19Å; F41-I266 HydrophobicContact CD1-CD1 4.27Å; F41-I266 HydrophobicContact CD2-CD1 3.74Å; F41-I266 HydrophobicContact CD2-CG1 4.16Å; F41-I266 HydrophobicContact CE1-CD1 4.27Å; F41-I266 HydrophobicContact CE2-CB 4.41Å; F41-I266 HydrophobicContact CE2-CD1 3.74Å; F41-I266 HydrophobicContact CE2-CG1 3.68Å; F41-I266 HydrophobicContact CG-CD1 3.97Å; F41-I266 HydrophobicContact CZ-CB 4.19Å; F41-I266 HydrophobicContact CZ-CD1 3.98Å; F41-I266 HydrophobicContact CZ-CG1 3.93Å; I239-I266 PolarHBondContact O-N 3.3Å; L240-I266 HydrophobicContact CD1-CB 4.01Å; L240-I266 HydrophobicContact CD1-CG2 3.82Å; L241-I266 PolarHBondContact N-O 2.73Å; I266-D287 WeakPolarHBondContact CA-OD2 3.29Å
267R98.4Very high93Very high18 Ų1863 Ų637%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-104.3124.9-176.9-62.2-175.5174.775.77.1111.1L241 A249 I252 D254 V265 L285 Y286 D287 L288L241-R267 HydrophobicContact CB-CG 4.22Å; L241-R267 HydrophobicContact CD2-CB 4.47Å; L241-R267 HydrophobicContact CD2-CG 4.26Å; L241-R267 CarbonylContact O-C 3.54Å; L241-R267 WeakPolarHBondContact O-CA 3.26Å; A249-R267 PolarHBondContact O-NE 2.62Å; I252-R267 PolarHBondContact O-NH2 2.92Å; D254-R267 IonicContact OD1-CZ 3.34Å; D254-R267 IonicContact OD1-NH1 3.79Å; D254-R267 PolarHBondContact OD1-NH1 3.35Å; D254-R267 IonicContact OD1-NH2 2.76Å; D254-R267 PolarHBondContact OD1-NH2 3.5Å; D254-R267 IonicContact OD2-NH1 3.79Å; D254-R267 PolarHBondContact OD2-NH1 3.07Å; D254-R267 IonicContact OD2-NH2 2.76Å; V265-R267 HydrophobicContact CG1-CG 3.79Å; R267-L285 WeakPolarHBondContact CD-O 3.46Å; R267-Y286 HydrophobicContact CB-CD1 3.68Å; R267-Y286 HydrophobicContact CB-CE1 4.36Å; R267-Y286 HydrophobicContact CB-CG 4.47Å; R267-D287 PolarHBondContact N-OD2 3.43Å; R267-D287 WeakPolarHBondContact O-CA 3.33Å; R267-D287 WeakPolarHBondContact O-CB 3.32Å; R267-D287 PolarHBondContact O-N 2.84Å; R267-L288 PolarHBondContact O-N 3.2Å
268I98.3Very high93.1Very high0 Ų060.6 Ų60.60%028%0.284CS..EExtended strand (participates in β ladder)trans-113.8119.6174.4-53-175.1000109L240 L241 V242 G243 Y286 L288 L290 P299 I302L240-I268 HydrophobicContact CD1-CD1 3.77Å; L240-I268 HydrophobicContact CD1-CG1 4.06Å; L240-I268 HydrophobicContact CG-CD1 4.44Å; L241-I268 PolarHBondContact O-N 3.05Å; V242-I268 WeakPolarHBondContact CA-O 3.34Å; V242-I268 HydrophobicContact CG1-CB 4.44Å; V242-I268 HydrophobicContact CG2-CB 4.4Å; G243-I268 PolarHBondContact N-O 3.44Å; G243-I268 VanDerWaalsContact N-O 3.1Å; I268-Y286 WeakPolarHBondContact O-CE1 3.38Å; I268-L288 HydrophobicContact CD1-CD1 4.21Å; I268-L288 HydrophobicContact CG1-CB 4.36Å; I268-L288 HydrophobicContact CG1-CD1 4.07Å; I268-L288 HydrophobicContact CG2-CB 4.35Å; I268-L290 HydrophobicContact CG2-CD1 3.72Å; I268-L290 HydrophobicContact CG2-CG 4.22Å; I268-P299 HydrophobicContact CD1-CB 4.29Å; I268-P299 HydrophobicContact CD1-CG 4.06Å; I268-P299 HydrophobicContact CG2-CG 4.48Å; I268-I302 HydrophobicContact CD1-CD1 3.71Å
269G98.2Very high93.3Very high0 Ų062 Ų620%029%0.293CS..EExtended strand (participates in β ladder)trans-107.5120.2-178.900000111.5G243 L271 Y286 L288 V289 L290G243-G269 CarbonylContact O-C 3.54Å; G243-G269 VanDerWaalsContact O-CA 3.3Å; G243-G269 WeakPolarHBondContact O-CA 3.5Å; G269-L271 PolarHBondContact O-N 2.97Å; G269-Y286 VanDerWaalsContact CA-CE1 3.49Å; G269-L288 PolarHBondContact N-O 3.47Å; G269-V289 WeakPolarHBondContact O-CA 3.48Å; G269-L290 PolarHBondContact O-N 3.13Å
270F97.9Very high93.9Very high0 Ų065.9 Ų65.90%030%0.303CS..EExtended strand (participates in β ladder)trans-82.9106.5166.8-75-79.3000109.7T58 V242 G243 D244 N272 L290 D293 T295 F296 P299T58-F270 HydrophobicContact CG2-CD2 4.28Å; V242-F270 HydrophobicContact CG1-CD2 3.91Å; V242-F270 HydrophobicContact CG1-CE2 3.58Å; G243-F270 PolarHBondContact O-N 3.41Å; D244-F270 VanDerWaalsContact CA-O 3.27Å; D244-F270 WeakPolarHBondContact CA-O 3.42Å; D244-F270 HydrophobicContact CB-CB 4.16Å; D244-F270 WeakPolarHBondContact CB-O 3.48Å; F270-N272 PolarHBondContact O-N 3.17Å; F270-L290 CarbonylContact C-O 3.55Å; F270-L290 HydrophobicContact CD1-CB 3.91Å; F270-L290 HydrophobicContact CD1-CD1 3.96Å; F270-L290 HydrophobicContact CE1-CB 4.17Å; F270-L290 HydrophobicContact CE1-CD1 3.46Å; F270-L290 VanDerWaalsContact CE1-CD1 3.46Å; F270-L290 HydrophobicContact CE1-CG 4.46Å; F270-L290 HydrophobicContact CE2-CD1 4.45Å; F270-L290 HydrophobicContact CZ-CD1 3.75Å; F270-D293 HydrophobicContact CE1-CB 4.35Å; F270-D293 WeakPolarHBondContact CE1-O 3.39Å; F270-T295 VanDerWaalsContact CE1-O 3.3Å; F270-T295 WeakPolarHBondContact CE1-O 3.36Å; F270-T295 WeakPolarHBondContact CZ-O 3.49Å; F270-F296 HydrophobicContact CE2-CE2 4.05Å; F270-F296 HydrophobicContact CE2-CZ 4.06Å; F270-F296 HydrophobicContact CZ-CD2 4.2Å; F270-F296 HydrophobicContact CZ-CE2 4.12Å; F270-F296 HydrophobicContact CZ-CZ 4.48Å; F270-P299 HydrophobicContact CZ-CG 4.3Å
271L97Very high94.3Very high4 Ų459.7 Ų59.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-87.494.9171.5-177.459.7000109I28 G269 E273 K278 V279 F282 V289 L290 L291 N292I28-L271 HydrophobicContact CD1-CD2 4.16Å; G269-L271 PolarHBondContact O-N 2.97Å; L271-E273 WeakPolarHBondContact CD1-O 3.34Å; L271-E273 WeakPolarHBondContact CG-O 3.23Å; L271-E273 PolarHBondContact O-N 3.4Å; L271-K278 HydrophobicContact CD1-CB 3.82Å; L271-K278 HydrophobicContact CD1-CD 4.16Å; L271-V279 HydrophobicContact CD2-CB 4.34Å; L271-V279 HydrophobicContact CD2-CG2 3.5Å; L271-V279 VanDerWaalsContact CD2-CG2 3.5Å; L271-F282 HydrophobicContact CB-CD1 4.12Å; L271-F282 HydrophobicContact CB-CE1 4.27Å; L271-F282 HydrophobicContact CD1-CD1 4.26Å; L271-F282 HydrophobicContact CD1-CD2 4.25Å; L271-F282 HydrophobicContact CD1-CE1 4.13Å; L271-F282 HydrophobicContact CD1-CE2 4.13Å; L271-F282 HydrophobicContact CD1-CG 4.31Å; L271-F282 HydrophobicContact CD1-CZ 4.06Å; L271-V289 HydrophobicContact CB-CG1 3.8Å; L271-V289 HydrophobicContact CD2-CG1 4.28Å; L271-L290 PolarHBondContact N-O 2.6Å; L271-L291 HydrophobicContact CB-CD1 4.36Å; L271-L291 HydrophobicContact CD2-CD1 4Å; L271-L291 HydrophobicContact CG-CD1 3.99Å; L271-L291 WeakPolarHBondContact O-CA 3.42Å; L271-N292 PolarHBondContact O-N 2.92Å
272N95.3Very high94.6Very high20 Ų2055 Ų5511%0.10726%0.263CS..  trans-74.9-5.8-174.5-69.1-39.9000115.3H57 C62 R148 D244 F270 N292H57-N272 PolarHBondContact O-ND2 2.91Å; C62-N272 HydrophobicContact CB-CB 3.75Å; C62-N272 VanDerWaalsContact CB-CG 3.47Å; R148-N272 PolarHBondContact NH2-OD1 3.37Å; D244-N272 WeakPolarHBondContact CB-ND2 3.41Å; D244-N272 PolarHBondContact OD2-ND2 3.13Å; D244-N272 VanDerWaalsContact OD2-ND2 3.14Å; F270-N272 PolarHBondContact O-N 3.17Å; N272-N292 PolarHBondContact O-OD1 2.98Å; N272-N292 VanDerWaalsContact O-OD1 3.04Å
273E89.5Confident94.7Very high115 Ų11552 Ų5254%0.53725%0.252SS..SBendtrans-148.4129.7178.2-174.8-167.8-16300110.1L271 N275 K278L271-E273 WeakPolarHBondContact CD1-O 3.34Å; L271-E273 WeakPolarHBondContact CG-O 3.23Å; L271-E273 PolarHBondContact O-N 3.4Å; E273-N275 PolarHBondContact O-N 2.84Å; E273-K278 IonicContact OE2-NZ 2.68Å; E273-K278 PolarHBondContact OE2-NZ 3.35Å
274K84.5Confident94.8Very high140 Ų14055.9 Ų55.961%0.60928%0.279SS*.  trans-71.7117.5178.6-166.7177.6-178.2174.20111.3L291K274-L291 HydrophobicContact CB-CD1 3.9Å; K274-L291 HydrophobicContact CB-CD2 4.33Å; K274-L291 HydrophobicContact CD-CD2 4.07Å; K274-L291 HydrophobicContact CG-CD1 4.29Å; K274-L291 HydrophobicContact CG-CD2 4.08Å
275N89.4Confident94.7Very high68 Ų6857.1 Ų57.136%0.36429%0.286SS..  trans-149.6124.3169.9178.1-63000108.8E273 K277 K278 V279E273-N275 PolarHBondContact O-N 2.84Å; N275-K277 VanDerWaalsContact C-N 3.27Å; N275-K277 PolarHBondContact O-N 3.23Å; N275-K277 WeakPolarHBondContact OD1-CB 3.24Å; N275-K277 PolarHBondContact OD1-N 3.24Å; N275-K278 HydrophobicContact CB-CB 3.98Å; N275-K278 HydrophobicContact CB-CD 3.9Å; N275-K278 HydrophobicContact CB-CG 3.81Å; N275-K278 CarbonylContact O-C 3.58Å; N275-K278 WeakPolarHBondContact O-CA 3.43Å; N275-K278 WeakPolarHBondContact O-CB 3.36Å; N275-K278 PolarHBondContact O-N 3.04Å; N275-K278 PolarHBondContact OD1-N 2.94Å; N275-V279 WeakPolarHBondContact O-CG2 3.35Å; N275-V279 PolarHBondContact O-N 3.28Å
276D90.5Very high94.8Very high127 Ų12757.3 Ų57.368%0.67929%0.286SS*.Hα-helixtrans-57.1-38.2-171.8-63.8-20000113V279 E280D276-V279 PolarHBondContact O-N 2.8Å; D276-E280 PolarHBondContact O-N 2.94Å
277K91.8Very high94.7Very high175 Ų17558 Ų5876%0.76129%0.29SS*.Hα-helixtrans-67.3-37.9175.1-64.4-176.8177.5-178.80111.9N275 L281N275-K277 VanDerWaalsContact C-N 3.27Å; N275-K277 PolarHBondContact O-N 3.23Å; N275-K277 WeakPolarHBondContact OD1-CB 3.24Å; N275-K277 PolarHBondContact OD1-N 3.24Å; K277-L281 WeakPolarHBondContact O-CB 3.36Å; K277-L281 PolarHBondContact O-N 3.45Å; K277-L281 VanDerWaalsContact O-N 3.09Å
278K92.4Very high94.6Very high82 Ų8257.1 Ų57.136%0.35729%0.287SS..Hα-helixtrans-66.8-39.5174-66-175.2-179.1175.10110.9L271 E273 N275 L281 F282L271-K278 HydrophobicContact CD1-CB 3.82Å; L271-K278 HydrophobicContact CD1-CD 4.16Å; E273-K278 IonicContact OE2-NZ 2.68Å; E273-K278 PolarHBondContact OE2-NZ 3.35Å; N275-K278 HydrophobicContact CB-CB 3.98Å; N275-K278 HydrophobicContact CB-CD 3.9Å; N275-K278 HydrophobicContact CB-CG 3.81Å; N275-K278 CarbonylContact O-C 3.58Å; N275-K278 WeakPolarHBondContact O-CA 3.43Å; N275-K278 WeakPolarHBondContact O-CB 3.36Å; N275-K278 PolarHBondContact O-N 3.04Å; N275-K278 PolarHBondContact OD1-N 2.94Å; K278-L281 PolarHBondContact O-N 3.23Å; K278-F282 WeakPolarHBondContact O-CB 3.49Å; K278-F282 WeakPolarHBondContact O-CD2 3.47Å; K278-F282 PolarHBondContact O-N 3.27Å
279V94.3Very high94.6Very high33 Ų3357.1 Ų57.120%0.229%0.287CS..Hα-helixtrans-59.7-48.9177.1172.70000110.8I28 L271 N275 D276 F282 S283I28-V279 HydrophobicContact CD1-CB 4.43Å; I28-V279 HydrophobicContact CD1-CG1 3.85Å; I28-V279 HydrophobicContact CD1-CG2 3.84Å; L271-V279 HydrophobicContact CD2-CB 4.34Å; L271-V279 HydrophobicContact CD2-CG2 3.5Å; L271-V279 VanDerWaalsContact CD2-CG2 3.5Å; N275-V279 WeakPolarHBondContact O-CG2 3.35Å; N275-V279 PolarHBondContact O-N 3.28Å; D276-V279 PolarHBondContact O-N 2.8Å; V279-F282 PolarHBondContact O-N 2.87Å; V279-S283 VanDerWaalsContact O-CB 3.27Å; V279-S283 WeakPolarHBondContact O-CB 3.43Å; V279-S283 PolarHBondContact O-N 3.27Å; V279-S283 PolarHBondContact O-OG 3.17Å
280E95.6Very high94.4Very high149 Ų14957.1 Ų57.170%0.69629%0.287SS*.Hα-helixtrans-60.6-47177.7-175.4177.7-170.800111.3D276 S283 S284D276-E280 PolarHBondContact O-N 2.94Å; E280-S283 PolarHBondContact O-N 3.11Å; E280-S284 PolarHBondContact O-N 3.31Å; E280-S284 VanDerWaalsContact O-N 3.1Å
281L94.8Very high94.3Very high85 Ų8558.1 Ų58.145%0.44529%0.292SS..Hα-helixtrans-63.7-44.9179.5-177.356000112.1T246 K277 K278 S284 L285T246-L281 HydrophobicContact CG2-CD2 3.65Å; T246-L281 HydrophobicContact CG2-CG 3.83Å; K277-L281 WeakPolarHBondContact O-CB 3.36Å; K277-L281 PolarHBondContact O-N 3.45Å; K277-L281 VanDerWaalsContact O-N 3.09Å; K278-L281 PolarHBondContact O-N 3.23Å; L281-S284 PolarHBondContact O-N 3.35Å; L281-S284 PolarHBondContact O-OG 3.29Å; L281-L285 HydrophobicContact CD1-CD1 4.14Å; L281-L285 HydrophobicContact CG-CD1 4.28Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.29Å
282F96.9Very high94.1Very high10 Ų1062 Ų624%0.04431%0.313CS..Hα-helixtrans-64.2-42.5176.9-88-124.7000111.4D244 T246 L271 K278 V279 S284 L285 Y286 V289D244-F282 WeakPolarHBondContact O-CZ 3.44Å; T246-F282 HydrophobicContact CG2-CD2 4.13Å; T246-F282 HydrophobicContact CG2-CE2 3.76Å; L271-F282 HydrophobicContact CB-CD1 4.12Å; L271-F282 HydrophobicContact CB-CE1 4.27Å; L271-F282 HydrophobicContact CD1-CD1 4.26Å; L271-F282 HydrophobicContact CD1-CD2 4.25Å; L271-F282 HydrophobicContact CD1-CE1 4.13Å; L271-F282 HydrophobicContact CD1-CE2 4.13Å; L271-F282 HydrophobicContact CD1-CG 4.31Å; L271-F282 HydrophobicContact CD1-CZ 4.06Å; K278-F282 WeakPolarHBondContact O-CB 3.49Å; K278-F282 WeakPolarHBondContact O-CD2 3.47Å; K278-F282 PolarHBondContact O-N 3.27Å; V279-F282 PolarHBondContact O-N 2.87Å; F282-S284 PolarHBondContact O-N 2.77Å; F282-L285 PolarHBondContact O-N 2.9Å; F282-Y286 HydrophobicContact CB-CD2 4.23Å; F282-Y286 AromaticContact CD1-CD2 3.73Å; F282-Y286 HydrophobicContact CD1-CD2 3.73Å; F282-Y286 AromaticContact CD1-CE2 3.75Å; F282-Y286 HydrophobicContact CD1-CE2 3.75Å; F282-Y286 HydrophobicContact CE1-CD2 4.35Å; F282-Y286 AromaticContact CE1-CE2 3.9Å; F282-Y286 HydrophobicContact CE1-CE2 3.9Å; F282-Y286 HydrophobicContact CG-CD2 4.1Å; F282-Y286 HydrophobicContact CG-CE2 4.29Å; F282-Y286 WeakPolarHBondContact O-CB 3.45Å; F282-Y286 PolarHBondContact O-N 3.27Å; F282-V289 HydrophobicContact CB-CG1 4.05Å; F282-V289 HydrophobicContact CB-CG2 3.87Å; F282-V289 HydrophobicContact CD1-CG1 4.28Å
283S96Very high94Very high31 Ų3161.1 Ų61.122%0.21731%0.308CS..Hα-helixtrans-63.5-21177-57.90000113H29 V279 E280H29-S283 PolarHBondContact NE2-O 2.96Å; V279-S283 VanDerWaalsContact O-CB 3.27Å; V279-S283 WeakPolarHBondContact O-CB 3.43Å; V279-S283 PolarHBondContact O-N 3.27Å; V279-S283 PolarHBondContact O-OG 3.17Å; E280-S283 PolarHBondContact O-N 3.11Å
284S96.4Very high94.3Very high88 Ų8857.3 Ų57.362%0.61529%0.291SS*.Hα-helixtrans-82.9-21.2173.879.50000113.7E280 L281 F282E280-S284 PolarHBondContact O-N 3.31Å; E280-S284 VanDerWaalsContact O-N 3.1Å; L281-S284 PolarHBondContact O-N 3.35Å; L281-S284 PolarHBondContact O-OG 3.29Å; F282-S284 PolarHBondContact O-N 2.77Å
285L96.5Very high94.8Very high53 Ų5351.5 Ų51.528%0.27727%0.267SS..Hα-helixtrans-107.9-35.2-172.8-66.5172.9000113.4T246 A249 R267 L281 F282T246-L285 HydrophobicContact CG2-CD1 3.77Å; A249-L285 HydrophobicContact CB-CB 3.91Å; A249-L285 HydrophobicContact CB-CD1 4.48Å; R267-L285 WeakPolarHBondContact CD-O 3.46Å; L281-L285 HydrophobicContact CD1-CD1 4.14Å; L281-L285 HydrophobicContact CG-CD1 4.28Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.29Å; F282-L285 PolarHBondContact O-N 2.9Å
286Y97.9Very high95.1Very high5 Ų548.2 Ų48.22%0.0225%0.249CC..  trans-106.6142.8-174.3-71-80.4000111.3H29 L241 S245 A249 R267 I268 G269 F282 L288H29-Y286 PolarHBondContact CD2-O 3.29Å; L241-Y286 HydrophobicContact CD2-CE1 4.14Å; S245-Y286 PolarHBondContact O-OH 3.38Å; A249-Y286 HydrophobicContact CB-CD2 4.44Å; A249-Y286 HydrophobicContact CB-CE1 4.02Å; A249-Y286 HydrophobicContact CB-CE2 3.9Å; A249-Y286 PolarHBondContact N-OH 3.17Å; R267-Y286 HydrophobicContact CB-CD1 3.68Å; R267-Y286 HydrophobicContact CB-CE1 4.36Å; R267-Y286 HydrophobicContact CB-CG 4.47Å; I268-Y286 WeakPolarHBondContact O-CE1 3.38Å; G269-Y286 VanDerWaalsContact CA-CE1 3.49Å; F282-Y286 HydrophobicContact CB-CD2 4.23Å; F282-Y286 AromaticContact CD1-CD2 3.73Å; F282-Y286 HydrophobicContact CD1-CD2 3.73Å; F282-Y286 AromaticContact CD1-CE2 3.75Å; F282-Y286 HydrophobicContact CD1-CE2 3.75Å; F282-Y286 HydrophobicContact CE1-CD2 4.35Å; F282-Y286 AromaticContact CE1-CE2 3.9Å; F282-Y286 HydrophobicContact CE1-CE2 3.9Å; F282-Y286 HydrophobicContact CG-CD2 4.1Å; F282-Y286 HydrophobicContact CG-CE2 4.29Å; F282-Y286 WeakPolarHBondContact O-CB 3.45Å; F282-Y286 PolarHBondContact O-N 3.27Å; Y286-L288 VanDerWaalsContact C-N 3.31Å; Y286-L288 WeakPolarHBondContact CB-O 3.36Å
287D97.3Very high95.3Very high14 Ų1444.2 Ų44.28%0.07523%0.228CC..SBendtrans-74.2-26.8172.7-60.2-73.4000111.4G31 I34 K37 I266 R267G31-D287 PolarHBondContact N-O 2.98Å; I34-D287 HydrophobicContact CB-CB 4.46Å; I34-D287 HydrophobicContact CD1-CB 4.18Å; I34-D287 HydrophobicContact CG1-CB 4.25Å; K37-D287 IonicContact NZ-OD1 2.78Å; K37-D287 PolarHBondContact NZ-OD1 3.32Å; K37-D287 IonicContact NZ-OD2 3.83Å; K37-D287 PolarHBondContact NZ-OD2 3.05Å; I266-D287 WeakPolarHBondContact CA-OD2 3.29Å; R267-D287 PolarHBondContact N-OD2 3.43Å; R267-D287 WeakPolarHBondContact O-CA 3.33Å; R267-D287 WeakPolarHBondContact O-CB 3.32Å; R267-D287 PolarHBondContact O-N 2.84Å
288L96.7Very high95.5Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-134.5133.4176.2-62.9171.7000109.7L18 L27 H29 V30 I34 R267 I268 G269 Y286 I298 I302L18-L288 HydrophobicContact CD1-CD1 4.37Å; L18-L288 HydrophobicContact CD1-CD2 4.21Å; L27-L288 HydrophobicContact CD1-CB 4.13Å; L27-L288 HydrophobicContact CD1-CD2 3.94Å; L27-L288 HydrophobicContact CD2-CD2 4.5Å; H29-L288 WeakPolarHBondContact O-CA 3.39Å; V30-L288 HydrophobicContact CB-CD2 4.17Å; V30-L288 HydrophobicContact CG1-CD2 3.84Å; V30-L288 HydrophobicContact CG2-CD2 3.94Å; I34-L288 HydrophobicContact CD1-CD1 3.75Å; I34-L288 HydrophobicContact CD1-CD2 3.65Å; I34-L288 HydrophobicContact CD1-CG 3.59Å; R267-L288 PolarHBondContact O-N 3.2Å; I268-L288 HydrophobicContact CD1-CD1 4.21Å; I268-L288 HydrophobicContact CG1-CB 4.36Å; I268-L288 HydrophobicContact CG1-CD1 4.07Å; I268-L288 HydrophobicContact CG2-CB 4.35Å; G269-L288 PolarHBondContact N-O 3.47Å; Y286-L288 VanDerWaalsContact C-N 3.31Å; Y286-L288 WeakPolarHBondContact CB-O 3.36Å; L288-I298 HydrophobicContact CD1-CG2 4.19Å; L288-I302 HydrophobicContact CD1-CD1 3.16Å
289V96.6Very high95.7Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-120.5119.6175.5-1750000110I28 H29 G269 L271 F282I28-V289 HydrophobicContact CD1-CG1 3.91Å; I28-V289 HydrophobicContact CG1-CB 4Å; I28-V289 HydrophobicContact CG1-CG1 3.84Å; I28-V289 WeakPolarHBondContact CG1-O 3.28Å; I28-V289 PolarHBondContact N-O 3.02Å; H29-V289 HydrophobicContact CB-CB 3.71Å; H29-V289 HydrophobicContact CB-CG2 3.71Å; H29-V289 PolarHBondContact O-N 3.26Å; G269-V289 WeakPolarHBondContact O-CA 3.48Å; L271-V289 HydrophobicContact CB-CG1 3.8Å; L271-V289 HydrophobicContact CD2-CG1 4.28Å; F282-V289 HydrophobicContact CB-CG1 4.05Å; F282-V289 HydrophobicContact CB-CG2 3.87Å; F282-V289 HydrophobicContact CD1-CG1 4.28Å
290L96Very high95.9Very high0 Ų032.3 Ų32.30%018%0.175CC..EExtended strand (participates in β ladder)trans-104.9112.6-179.1-56.9175.6000109.5R26 L27 I268 G269 F270 L271 D293 I298R26-L290 CarbonylContact O-C 3.47Å; R26-L290 VanDerWaalsContact O-CA 3.29Å; R26-L290 WeakPolarHBondContact O-CA 3.43Å; L27-L290 HydrophobicContact CB-CD2 4.07Å; L27-L290 HydrophobicContact CD1-CD2 3.62Å; L27-L290 HydrophobicContact CG-CD2 4.44Å; I268-L290 HydrophobicContact CG2-CD1 3.72Å; I268-L290 HydrophobicContact CG2-CG 4.22Å; G269-L290 PolarHBondContact O-N 3.13Å; F270-L290 CarbonylContact C-O 3.55Å; F270-L290 HydrophobicContact CD1-CB 3.91Å; F270-L290 HydrophobicContact CD1-CD1 3.96Å; F270-L290 HydrophobicContact CE1-CB 4.17Å; F270-L290 HydrophobicContact CE1-CD1 3.46Å; F270-L290 VanDerWaalsContact CE1-CD1 3.46Å; F270-L290 HydrophobicContact CE1-CG 4.46Å; F270-L290 HydrophobicContact CE2-CD1 4.45Å; F270-L290 HydrophobicContact CZ-CD1 3.75Å; L271-L290 PolarHBondContact N-O 2.6Å; L290-D293 HydrophobicContact CB-CB 3.99Å; L290-I298 HydrophobicContact CD1-CB 4.07Å; L290-I298 HydrophobicContact CD1-CG1 4.48Å; L290-I298 HydrophobicContact CD1-CG2 4.46Å; L290-I298 HydrophobicContact CD2-CB 4.05Å; L290-I298 HydrophobicContact CD2-CG1 3.75Å; L290-I298 HydrophobicContact CD2-CG2 4.17Å
291L95.2Very high95.9Very high22 Ų2227.6 Ų27.612%0.11515%0.152CC..EExtended strand (participates in β ladder)trans-89.9120.2-178.5179.964.5000111R26 I28 L271 K274 D293R26-L291 PolarHBondContact O-N 3.09Å; I28-L291 HydrophobicContact CD1-CB 4Å; I28-L291 HydrophobicContact CD1-CD2 4.47Å; I28-L291 HydrophobicContact CG1-CB 4.12Å; I28-L291 HydrophobicContact CG2-CB 3.71Å; I28-L291 HydrophobicContact CG2-CD2 4.08Å; L271-L291 HydrophobicContact CB-CD1 4.36Å; L271-L291 HydrophobicContact CD2-CD1 4Å; L271-L291 HydrophobicContact CG-CD1 3.99Å; L271-L291 WeakPolarHBondContact O-CA 3.42Å; K274-L291 HydrophobicContact CB-CD1 3.9Å; K274-L291 HydrophobicContact CB-CD2 4.33Å; K274-L291 HydrophobicContact CD-CD2 4.07Å; K274-L291 HydrophobicContact CG-CD1 4.29Å; K274-L291 HydrophobicContact CG-CD2 4.08Å; L291-D293 PolarHBondContact O-N 2.91Å
292N93.2Very high96Very high84 Ų8423.6 Ų23.645%0.44913%0.131SC..SBendtrans51.129.1177-59.7-19.3000114.1L271 N272 E294L271-N292 PolarHBondContact O-N 2.92Å; N272-N292 PolarHBondContact O-OD1 2.98Å; N272-N292 VanDerWaalsContact O-OD1 3.04Å; N292-E294 PolarHBondContact O-N 3.03Å
293D93Very high96Very high3 Ų323.1 Ų23.12%0.01613%0.129CC..  trans-89.196-175.5-172.7-7.7000111.2R26 R148 F270 L290 L291 T295R26-D293 HydrophobicContact CB-CB 4.31Å; R26-D293 IonicContact NH1-OD1 3.9Å; R148-D293 VanDerWaalsContact NH1-C 3.31Å; R148-D293 PolarHBondContact NH1-O 3.01Å; F270-D293 HydrophobicContact CE1-CB 4.35Å; F270-D293 WeakPolarHBondContact CE1-O 3.39Å; L290-D293 HydrophobicContact CB-CB 3.99Å; L291-D293 PolarHBondContact O-N 2.91Å; D293-T295 PolarHBondContact O-N 3.32Å; D293-T295 WeakPolarHBondContact OD1-CB 3.48Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.14Å; D293-T295 PolarHBondContact OD1-N 2.96Å; D293-T295 VanDerWaalsContact OD1-N 3.14Å; D293-T295 PolarHBondContact OD1-OG1 2.95Å
294E94.2Very high96.1Very high35 Ų3523.1 Ų23.116%0.16413%0.129CC..  trans-74.726.3-179.5-59.6-63.1168.100114.6K61 C62 I63 R148 N149 N292K61-E294 WeakPolarHBondContact CA-OE2 3.39Å; K61-E294 WeakPolarHBondContact CB-OE2 3.27Å; K61-E294 HydrophobicContact CD-CB 4.24Å; K61-E294 WeakPolarHBondContact CE-O 3.25Å; K61-E294 HydrophobicContact CG-CB 4.34Å; K61-E294 VanDerWaalsContact CG-OE2 3.26Å; K61-E294 WeakPolarHBondContact CG-OE2 3.45Å; C62-E294 PolarHBondContact N-OE2 2.84Å; I63-E294 PolarHBondContact N-OE1 3.42Å; R148-E294 IonicContact CZ-OE2 3.23Å; R148-E294 IonicContact NH1-OE1 2.94Å; R148-E294 IonicContact NH1-OE2 2.99Å; R148-E294 PolarHBondContact NH1-OE2 3.37Å; R148-E294 VanDerWaalsContact NH1-OE2 3.15Å; N149-E294 PolarHBondContact N-O 3.03Å; N292-E294 PolarHBondContact O-N 3.03Å
295T95.4Very high96.2Very high17 Ų1719.8 Ų19.810%0.10411%0.106CC..BIsolated β-bridgetrans-126.7161.4-179.881.40000112.7N149 F270 D293 D297N149-T295 HydrophobicContact CB-CG2 4.06Å; N149-T295 CarbonylContact O-C 3.6Å; N149-T295 WeakPolarHBondContact O-CA 3.21Å; F270-T295 VanDerWaalsContact CE1-O 3.3Å; F270-T295 WeakPolarHBondContact CE1-O 3.36Å; F270-T295 WeakPolarHBondContact CZ-O 3.49Å; D293-T295 PolarHBondContact O-N 3.32Å; D293-T295 WeakPolarHBondContact OD1-CB 3.48Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.14Å; D293-T295 PolarHBondContact OD1-N 2.96Å; D293-T295 VanDerWaalsContact OD1-N 3.14Å; D293-T295 PolarHBondContact OD1-OG1 2.95Å; T295-D297 WeakPolarHBondContact OG1-CB 3.22Å; T295-D297 VanDerWaalsContact OG1-CG 3.27Å; T295-D297 PolarHBondContact OG1-N 3.25Å; T295-D297 PolarHBondContact OG1-OD2 3.45Å
296F96.6Very high96.2Very high0 Ų017.3 Ų17.30%09%0.093CC..  trans-102.321.5167.4-99.9-109.5000112.2T58 L59 R148 N149 A151 F154 V242 F270 I298 P299 L300T58-F296 VanDerWaalsContact O-CE2 3.23Å; T58-F296 WeakPolarHBondContact O-CE2 3.39Å; L59-F296 HydrophobicContact CB-CZ 4.43Å; L59-F296 HydrophobicContact CD1-CE1 3.9Å; L59-F296 HydrophobicContact CD1-CE2 3.92Å; L59-F296 HydrophobicContact CD1-CZ 3.49Å; L59-F296 VanDerWaalsContact CD1-CZ 3.49Å; R148-F296 HydrophobicContact CB-CD2 3.52Å; R148-F296 HydrophobicContact CB-CE2 3.89Å; R148-F296 HydrophobicContact CG-CD2 4.15Å; R148-F296 HydrophobicContact CG-CE2 4.11Å; N149-F296 PolarHBondContact O-N 2.65Å; A151-F296 HydrophobicContact CB-CD2 3.9Å; A151-F296 HydrophobicContact CB-CE2 4.29Å; A151-F296 HydrophobicContact CB-CG 4.2Å; F154-F296 HydrophobicContact CB-CB 4.45Å; F154-F296 HydrophobicContact CB-CD1 4.14Å; F154-F296 AromaticContact CD1-CD1 3.78Å; F154-F296 HydrophobicContact CD1-CD1 3.78Å; F154-F296 AromaticContact CD1-CE1 3.97Å; F154-F296 HydrophobicContact CD1-CE1 3.97Å; F154-F296 HydrophobicContact CD2-CD1 4.42Å; F154-F296 HydrophobicContact CE1-CD1 4.26Å; F154-F296 HydrophobicContact CE1-CE1 4.13Å; F154-F296 AromaticContact CG-CD1 3.86Å; F154-F296 HydrophobicContact CG-CD1 3.86Å; V242-F296 HydrophobicContact CG1-CE1 4.4Å; V242-F296 HydrophobicContact CG1-CZ 4.35Å; F270-F296 HydrophobicContact CE2-CE2 4.05Å; F270-F296 HydrophobicContact CE2-CZ 4.06Å; F270-F296 HydrophobicContact CZ-CD2 4.2Å; F270-F296 HydrophobicContact CZ-CE2 4.12Å; F270-F296 HydrophobicContact CZ-CZ 4.48Å; F296-I298 VanDerWaalsContact C-N 3.34Å; F296-I298 PolarHBondContact O-N 3.15Å; F296-P299 HydrophobicContact CD1-CB 3.73Å; F296-P299 HydrophobicContact CD1-CG 3.79Å; F296-P299 HydrophobicContact CE1-CB 4.27Å; F296-P299 HydrophobicContact CE1-CG 4.19Å; F296-P299 HydrophobicContact CG-CG 4.31Å; F296-P299 WeakPolarHBondContact O-CD 3.33Å; F296-L300 VanDerWaalsContact O-CB 3.23Å; F296-L300 WeakPolarHBondContact O-CB 3.24Å; F296-L300 PolarHBondContact O-N 3.34Å
297D95.2Very high96.2Very high43 Ų4317.3 Ų17.323%0.239%0.094CC..Hα-helixtrans-57.1-46.5-175.6-69.4-10.3000111.9R26 N150 T295 L300 F301R26-D297 IonicContact NH1-OD2 3Å; R26-D297 PolarHBondContact NH1-OD2 3.3Å; N150-D297 PolarHBondContact ND2-OD1 3.36Å; T295-D297 WeakPolarHBondContact OG1-CB 3.22Å; T295-D297 VanDerWaalsContact OG1-CG 3.27Å; T295-D297 PolarHBondContact OG1-N 3.25Å; T295-D297 PolarHBondContact OG1-OD2 3.45Å; D297-L300 PolarHBondContact O-N 2.96Å; D297-F301 WeakPolarHBondContact O-CB 3.49Å; D297-F301 PolarHBondContact O-N 3.38Å
298I95.3Very high96.1Very high3 Ų320.9 Ų20.92%0.01511%0.113CC..Hα-helixtrans-69.8-49.9-177.8-60.9-64.1000112L18 M21 L288 L290 F296 L300 F301 I302L18-I298 HydrophobicContact CD2-CD1 4.2Å; L18-I298 HydrophobicContact CD2-CG2 4.03Å; M21-I298 HydrophobicContact CB-CD1 4.25Å; M21-I298 HydrophobicContact CE-CD1 3.53Å; M21-I298 HydrophobicContact SD-CD1 3.54Å; M21-I298 VanDerWaalsContact SD-CD1 3.54Å; L288-I298 HydrophobicContact CD1-CG2 4.19Å; L290-I298 HydrophobicContact CD1-CB 4.07Å; L290-I298 HydrophobicContact CD1-CG1 4.48Å; L290-I298 HydrophobicContact CD1-CG2 4.46Å; L290-I298 HydrophobicContact CD2-CB 4.05Å; L290-I298 HydrophobicContact CD2-CG1 3.75Å; L290-I298 HydrophobicContact CD2-CG2 4.17Å; F296-I298 VanDerWaalsContact C-N 3.34Å; F296-I298 PolarHBondContact O-N 3.15Å; I298-L300 VanDerWaalsContact C-N 3.3Å; I298-L300 PolarHBondContact O-N 2.8Å; I298-F301 PolarHBondContact O-N 2.85Å; I298-I302 HydrophobicContact CG2-CD1 3.75Å; I298-I302 WeakPolarHBondContact O-CG1 3.26Å; I298-I302 PolarHBondContact O-N 2.87Å
299P97.4Very high96.1Very high0 Ų021.3 Ų21.30%012%0.116CC..Hα-helixtrans-53.3-44170.9-28.533.8000113.7F154 I268 F270 F296 I302 L303F154-P299 HydrophobicContact CD2-CB 4.16Å; F154-P299 HydrophobicContact CE2-CB 3.88Å; F154-P299 HydrophobicContact CZ-CB 4.32Å; I268-P299 HydrophobicContact CD1-CB 4.29Å; I268-P299 HydrophobicContact CD1-CG 4.06Å; I268-P299 HydrophobicContact CG2-CG 4.48Å; F270-P299 HydrophobicContact CZ-CG 4.3Å; F296-P299 HydrophobicContact CD1-CB 3.73Å; F296-P299 HydrophobicContact CD1-CG 3.79Å; F296-P299 HydrophobicContact CE1-CB 4.27Å; F296-P299 HydrophobicContact CE1-CG 4.19Å; F296-P299 HydrophobicContact CG-CG 4.31Å; F296-P299 WeakPolarHBondContact O-CD 3.33Å; P299-I302 PolarHBondContact O-N 3.31Å; P299-L303 WeakPolarHBondContact O-CB 3.24Å; P299-L303 PolarHBondContact O-N 3.3Å
300L96.8Very high96.1Very high36 Ų3621.6 Ų21.619%0.18812%0.117CC..Hα-helixtrans-67.6-40.4179.5-178.959.9000112.5N150 D153 F154 K157 F296 D297 I298 S304N150-L300 HydrophobicContact CB-CD2 4.31Å; D153-L300 HydrophobicContact CB-CD2 4.3Å; F154-L300 HydrophobicContact CD2-CB 4.31Å; F154-L300 HydrophobicContact CD2-CD1 4.44Å; K157-L300 HydrophobicContact CB-CD1 4.24Å; K157-L300 HydrophobicContact CG-CD1 4.32Å; F296-L300 VanDerWaalsContact O-CB 3.23Å; F296-L300 WeakPolarHBondContact O-CB 3.24Å; F296-L300 PolarHBondContact O-N 3.34Å; D297-L300 PolarHBondContact O-N 2.96Å; I298-L300 VanDerWaalsContact C-N 3.3Å; I298-L300 PolarHBondContact O-N 2.8Å; L300-S304 WeakPolarHBondContact O-CB 3.43Å; L300-S304 PolarHBondContact O-N 3.19Å; L300-S304 PolarHBondContact O-OG 2.95Å
301F95.9Very high95.9Very high51 Ų5126.2 Ų26.222%0.22414%0.139CC..Hα-helixtrans-60.7-47.1174.5168.1-101.6000111.4I14 T17 L18 M21 D297 I298 S304 S305I14-F301 HydrophobicContact CG2-CE1 3.97Å; I14-F301 HydrophobicContact CG2-CZ 4.46Å; T17-F301 HydrophobicContact CG2-CE1 4.25Å; T17-F301 HydrophobicContact CG2-CE2 3.81Å; T17-F301 HydrophobicContact CG2-CZ 3.45Å; T17-F301 VanDerWaalsContact CG2-CZ 3.45Å; L18-F301 HydrophobicContact CD2-CD1 3.81Å; L18-F301 HydrophobicContact CD2-CE1 3.84Å; L18-F301 HydrophobicContact CG-CD1 4.43Å; L18-F301 HydrophobicContact CG-CE1 3.96Å; M21-F301 HydrophobicContact SD-CD1 4.4Å; M21-F301 HydrophobicContact SD-CG 4.49Å; D297-F301 WeakPolarHBondContact O-CB 3.49Å; D297-F301 PolarHBondContact O-N 3.38Å; I298-F301 PolarHBondContact O-N 2.85Å; F301-S304 PolarHBondContact O-N 3.31Å; F301-S305 VanDerWaalsContact CE2-OG 3.3Å; F301-S305 WeakPolarHBondContact CE2-OG 3.31Å; F301-S305 WeakPolarHBondContact CZ-OG 3.46Å; F301-S305 VanDerWaalsContact O-CB 3.23Å; F301-S305 WeakPolarHBondContact O-CB 3.49Å; F301-S305 PolarHBondContact O-N 2.8Å; F301-S305 PolarHBondContact O-OG 2.87Å
302I97Very high95.8Very high1 Ų129.5 Ų29.51%0.00516%0.156CC..Hα-helixtrans-63.1-49.8180-71.3164000110.5L18 L38 I268 L288 I298 P299 S304 S305 I306L18-I302 HydrophobicContact CD2-CD1 4.42Å; L18-I302 HydrophobicContact CD2-CG1 4.36Å; L38-I302 HydrophobicContact CD2-CG2 4.45Å; I268-I302 HydrophobicContact CD1-CD1 3.71Å; L288-I302 HydrophobicContact CD1-CD1 3.16Å; I298-I302 HydrophobicContact CG2-CD1 3.75Å; I298-I302 WeakPolarHBondContact O-CG1 3.26Å; I298-I302 PolarHBondContact O-N 2.87Å; P299-I302 PolarHBondContact O-N 3.31Å; I302-S304 PolarHBondContact O-N 2.74Å; I302-S305 PolarHBondContact O-N 3.45Å; I302-I306 HydrophobicContact CG2-CD1 3.57Å; I302-I306 HydrophobicContact CG2-CG1 4.43Å; I302-I306 WeakPolarHBondContact O-CB 3.31Å; I302-I306 WeakPolarHBondContact O-CD1 3.3Å; I302-I306 VanDerWaalsContact O-CG1 3.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 3.35Å
303L98Very high95.6Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-53.8-52.9176.7173.864000111.2M49 F154 K157 L158 L161 I163 P299 S305 I306 V307M49-L303 HydrophobicContact CE-CD1 3.84Å; F154-L303 HydrophobicContact CD2-CD2 4Å; F154-L303 HydrophobicContact CE2-CB 4.2Å; F154-L303 HydrophobicContact CE2-CD2 3.87Å; K157-L303 HydrophobicContact CB-CD2 4.17Å; K157-L303 HydrophobicContact CG-CD2 3.86Å; L158-L303 HydrophobicContact CD2-CD1 3.86Å; L158-L303 HydrophobicContact CD2-CD2 3.56Å; L158-L303 HydrophobicContact CD2-CG 4.36Å; L158-L303 HydrophobicContact CG-CD2 4.06Å; L161-L303 HydrophobicContact CD1-CD1 4.2Å; L161-L303 HydrophobicContact CD1-CG 4.35Å; I163-L303 HydrophobicContact CD1-CD1 3.71Å; P299-L303 WeakPolarHBondContact O-CB 3.24Å; P299-L303 PolarHBondContact O-N 3.3Å; L303-S305 VanDerWaalsContact C-N 3.34Å; L303-S305 PolarHBondContact O-N 2.79Å; L303-I306 PolarHBondContact O-N 2.83Å; L303-V307 HydrophobicContact CD1-CG2 4.33Å; L303-V307 WeakPolarHBondContact O-CG2 3.21Å; L303-V307 PolarHBondContact O-N 3Å; L303-V307 VanDerWaalsContact O-N 3.17Å
304S97.5Very high95.2Very high30 Ų3029.9 Ų29.921%0.2115%0.154CC..Hα-helixtrans-64.3-40.3-177.1-58.10000111.8L300 F301 I302 V307 N308L300-S304 WeakPolarHBondContact O-CB 3.43Å; L300-S304 PolarHBondContact O-N 3.19Å; L300-S304 PolarHBondContact O-OG 2.95Å; F301-S304 PolarHBondContact O-N 3.31Å; I302-S304 PolarHBondContact O-N 2.74Å; S304-V307 PolarHBondContact O-N 3.33Å; S304-N308 WeakPolarHBondContact O-CB 3.27Å; S304-N308 PolarHBondContact O-N 3.46Å; S304-N308 PolarHBondContact O-ND2 3.13Å; S304-N308 PolarHBondContact O-OD1 3.5Å
305S97.5Very high94.4Very high19 Ų1934 Ų3413%0.13317%0.173CC..Hα-helixtrans-68.7-39.5-179-59.40000112.5F301 I302 L303 S309F301-S305 VanDerWaalsContact CE2-OG 3.3Å; F301-S305 WeakPolarHBondContact CE2-OG 3.31Å; F301-S305 WeakPolarHBondContact CZ-OG 3.46Å; F301-S305 VanDerWaalsContact O-CB 3.23Å; F301-S305 WeakPolarHBondContact O-CB 3.49Å; F301-S305 PolarHBondContact O-N 2.8Å; F301-S305 PolarHBondContact O-OG 2.87Å; I302-S305 PolarHBondContact O-N 3.45Å; L303-S305 VanDerWaalsContact C-N 3.34Å; L303-S305 PolarHBondContact O-N 2.79Å; S305-S309 WeakPolarHBondContact O-CB 3.04Å; S305-S309 PolarHBondContact O-N 3.5Å; S305-S309 PolarHBondContact O-OG 2.87Å
306I97.8Very high93.1Very high1 Ų137.8 Ų37.81%0.00519%0.189CC..Hα-helixtrans-61.7-48.5175.6-71.2164.2000110.3L38 F41 I42 M49 I302 L303 S309 N310L38-I306 HydrophobicContact CD2-CD1 3.97Å; L38-I306 HydrophobicContact CD2-CG1 4.01Å; F41-I306 HydrophobicContact CB-CD1 3.96Å; F41-I306 HydrophobicContact CB-CG1 4.29Å; F41-I306 HydrophobicContact CB-CG2 3.97Å; F41-I306 HydrophobicContact CD1-CD1 3.78Å; F41-I306 HydrophobicContact CG-CD1 4.19Å; I42-I306 HydrophobicContact CG1-CG1 4.43Å; I42-I306 HydrophobicContact CG1-CG2 4.39Å; M49-I306 HydrophobicContact CE-CD1 4.42Å; M49-I306 HydrophobicContact CE-CG2 4.3Å; M49-I306 HydrophobicContact SD-CG2 3.7Å; I302-I306 HydrophobicContact CG2-CD1 3.57Å; I302-I306 HydrophobicContact CG2-CG1 4.43Å; I302-I306 WeakPolarHBondContact O-CB 3.31Å; I302-I306 WeakPolarHBondContact O-CD1 3.3Å; I302-I306 VanDerWaalsContact O-CG1 3.26Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 3.35Å; L303-I306 PolarHBondContact O-N 2.83Å; I306-S309 PolarHBondContact O-N 3.43Å; I306-N310 WeakPolarHBondContact O-CB 3.45Å; I306-N310 PolarHBondContact O-N 3.25Å
307V97Very high91.6Very high5 Ų540.2 Ų40.23%0.0321%0.206CC..Hα-helixtrans-63.3-51-177.9173.70000110.8P46 L161 L303 S304 S309 N310 E311P46-V307 HydrophobicContact CB-CG2 4.3Å; L161-V307 HydrophobicContact CD1-CG1 4.4Å; L161-V307 HydrophobicContact CD1-CG2 3.69Å; L161-V307 HydrophobicContact CD2-CG1 3.84Å; L161-V307 HydrophobicContact CD2-CG2 4.48Å; L303-V307 HydrophobicContact CD1-CG2 4.33Å; L303-V307 WeakPolarHBondContact O-CG2 3.21Å; L303-V307 PolarHBondContact O-N 3Å; L303-V307 VanDerWaalsContact O-N 3.17Å; S304-V307 PolarHBondContact O-N 3.33Å; V307-S309 VanDerWaalsContact C-N 3.29Å; V307-S309 PolarHBondContact O-N 2.78Å; V307-N310 PolarHBondContact O-N 3Å; V307-E311 PolarHBondContact O-N 2.9Å
308N96.7Very high90.2Very high89 Ų8940.9 Ų40.948%0.47621%0.214SC..Hα-helixtrans-59.5-41.2178.8-67.8-13000111.4S304 E311 L312S304-N308 WeakPolarHBondContact O-CB 3.27Å; S304-N308 PolarHBondContact O-N 3.46Å; S304-N308 PolarHBondContact O-ND2 3.13Å; S304-N308 PolarHBondContact O-OD1 3.5Å; N308-E311 PolarHBondContact O-N 2.99Å; N308-L312 VanDerWaalsContact O-CG 3.3Å; N308-L312 WeakPolarHBondContact O-CG 3.33Å; N308-L312 PolarHBondContact O-N 2.94Å; N308-L312 VanDerWaalsContact O-N 3.08Å
309S96.5Very high88.4Confident9 Ų945.6 Ų45.66%0.06324%0.239CC..Hα-helixtrans-67.1-38.8178.3-58.30000112.2S305 I306 V307 L312 C313S305-S309 WeakPolarHBondContact O-CB 3.04Å; S305-S309 PolarHBondContact O-N 3.5Å; S305-S309 PolarHBondContact O-OG 2.87Å; I306-S309 PolarHBondContact O-N 3.43Å; V307-S309 VanDerWaalsContact C-N 3.29Å; V307-S309 PolarHBondContact O-N 2.78Å; S309-L312 PolarHBondContact O-N 2.68Å; S309-C313 WeakPolarHBondContact O-CB 3.36Å; S309-C313 PolarHBondContact O-N 3Å; S309-C313 PolarHBondContact O-SG 2.87Å
310N95.3Very high86.5Confident5 Ų551 Ų513%0.02726%0.263CS..Hα-helixtrans-62.5-45175.4178.3-101.3000111.4I42 G45 I306 V307 C313 K314I42-N310 WeakPolarHBondContact O-CB 3.37Å; I42-N310 PolarHBondContact O-ND2 3.28Å; G45-N310 VanDerWaalsContact CA-ND2 3.32Å; G45-N310 WeakPolarHBondContact CA-ND2 3.43Å; I306-N310 WeakPolarHBondContact O-CB 3.45Å; I306-N310 PolarHBondContact O-N 3.25Å; V307-N310 PolarHBondContact O-N 3Å; N310-C313 WeakPolarHBondContact O-CB 3.47Å; N310-C313 PolarHBondContact O-N 3.43Å; N310-K314 WeakPolarHBondContact O-CG 3.35Å; N310-K314 PolarHBondContact O-N 2.99Å; N310-K314 WeakPolarHBondContact OD1-CD 3.18Å; N310-K314 VanDerWaalsContact OD1-CE 3.23Å; N310-K314 WeakPolarHBondContact OD1-CE 3.5Å; N310-K314 PolarHBondContact OD1-NZ 3.08Å
311E93.5Very high84.7Confident98 Ų9853.9 Ų53.946%0.45828%0.282SS..Hα-helixtrans-60.1-46.7177-71.2-176.6158.200111.6V307 N308 C313 K314 H315V307-E311 PolarHBondContact O-N 2.9Å; N308-E311 PolarHBondContact O-N 2.99Å; E311-C313 VanDerWaalsContact C-N 3.35Å; E311-C313 PolarHBondContact O-N 3.45Å; E311-K314 PolarHBondContact O-N 3.33Å; E311-H315 PolarHBondContact O-CD2 2.96Å; E311-H315 VanDerWaalsContact O-CD2 3.25Å; E311-H315 PolarHBondContact O-N 3.23Å
312L92.8Very high82.7Confident90 Ų9054.8 Ų54.847%0.47129%0.294SS..Hα-helixtrans-60.6-42.6176.5-69.4171.6000112F10 N308 S309 K314 E316F10-L312 HydrophobicContact CE1-CD1 3.78Å; F10-L312 HydrophobicContact CE2-CB 4.11Å; F10-L312 HydrophobicContact CZ-CB 3.78Å; F10-L312 HydrophobicContact CZ-CD1 3.76Å; F10-L312 HydrophobicContact CZ-CG 4.42Å; N308-L312 VanDerWaalsContact O-CG 3.3Å; N308-L312 WeakPolarHBondContact O-CG 3.33Å; N308-L312 PolarHBondContact O-N 2.94Å; N308-L312 VanDerWaalsContact O-N 3.08Å; S309-L312 PolarHBondContact O-N 2.68Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.47Å; L312-E316 PolarHBondContact O-N 3.23Å
313C88.9Confident80.3Confident3 Ų361.1 Ų61.12%0.0233%0.328CS..Hα-helixtrans-61.2-39.2174.7-81.60000112.9L3 R6 S309 N310 E311 S317L3-C313 HydrophobicContact CD1-CB 3.84Å; R6-C313 PolarHBondContact NH1-O 3.48Å; R6-C313 PolarHBondContact NH2-O 2.97Å; S309-C313 WeakPolarHBondContact O-CB 3.36Å; S309-C313 PolarHBondContact O-N 3Å; S309-C313 PolarHBondContact O-SG 2.87Å; N310-C313 WeakPolarHBondContact O-CB 3.47Å; N310-C313 PolarHBondContact O-N 3.43Å; E311-C313 VanDerWaalsContact C-N 3.35Å; E311-C313 PolarHBondContact O-N 3.45Å; C313-S317 PolarHBondContact O-OG 3.38Å; C313-S317 VanDerWaalsContact O-OG 3.09Å
314K83.3Confident77.8Confident93 Ų9367.9 Ų67.940%0.40436%0.363SS..Hα-helixtrans-71.9-45.2178.4-76.6174.3175164.80112.1E47 N310 E311 L312 E316 S317 S318E47-K314 IonicContact OE1-NZ 2.71Å; E47-K314 PolarHBondContact OE1-NZ 3.39Å; E47-K314 IonicContact OE2-NZ 3.21Å; E47-K314 PolarHBondContact OE2-NZ 3.47Å; N310-K314 WeakPolarHBondContact O-CG 3.35Å; N310-K314 PolarHBondContact O-N 2.99Å; N310-K314 WeakPolarHBondContact OD1-CD 3.18Å; N310-K314 VanDerWaalsContact OD1-CE 3.23Å; N310-K314 WeakPolarHBondContact OD1-CE 3.5Å; N310-K314 PolarHBondContact OD1-NZ 3.08Å; E311-K314 PolarHBondContact O-N 3.33Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.47Å; K314-E316 PolarHBondContact O-N 2.94Å; K314-S317 WeakPolarHBondContact O-CB 3.48Å; K314-S317 PolarHBondContact O-N 3Å; K314-S318 PolarHBondContact O-N 3.2Å
315H77.1Confident75.1Confident122 Ų12280.7 Ų80.757%0.56541%0.407SS*.Hα-helixtrans-62.7-37.4-178.3-88.4-71.2000114E311 S317 S318 N319E311-H315 PolarHBondContact O-CD2 2.96Å; E311-H315 VanDerWaalsContact O-CD2 3.25Å; E311-H315 PolarHBondContact O-N 3.23Å; H315-S317 VanDerWaalsContact C-N 3.34Å; H315-S318 PolarHBondContact O-OG 3.22Å; H315-N319 PolarHBondContact O-N 2.86Å
316E69.9Low74Confident96 Ų9683.8 Ų83.845%0.44942%0.42SS..Hα-helixtrans-74.3-24.9177.3-79.2-174171.300113.2R6 L312 K314 K320R6-E316 WeakPolarHBondContact CD-OE2 3.38Å; R6-E316 IonicContact CZ-OE2 2.8Å; R6-E316 IonicContact NE-OE2 2.79Å; R6-E316 IonicContact NH1-OE2 2.94Å; R6-E316 PolarHBondContact NH1-OE2 3.23Å; L312-E316 PolarHBondContact O-N 3.23Å; K314-E316 PolarHBondContact O-N 2.94Å; E316-K320 PolarHBondContact O-N 3.31Å
317S63.9Low72.7Confident50 Ų5088.1 Ų88.135%0.3544%0.442SS..Hα-helixtrans-70.8-37.2174-61.20000111.8R6 C313 K314 H315 K320 T321R6-S317 PolarHBondContact NH2-OG 3.02Å; C313-S317 PolarHBondContact O-OG 3.38Å; C313-S317 VanDerWaalsContact O-OG 3.09Å; K314-S317 WeakPolarHBondContact O-CB 3.48Å; K314-S317 PolarHBondContact O-N 3Å; H315-S317 VanDerWaalsContact C-N 3.34Å; S317-K320 PolarHBondContact O-N 3.35Å; S317-T321 PolarHBondContact O-N 3.25Å; S317-T321 PolarHBondContact O-OG1 2.91Å
318S66.2Low71.4Confident57 Ų5792.7 Ų92.740%0.39947%0.465SS..Hα-helixtrans-71.4-37.2176.850.40000112.5K314 H315 K320 T321 S322K314-S318 PolarHBondContact O-N 3.2Å; H315-S318 PolarHBondContact O-OG 3.22Å; S318-K320 VanDerWaalsContact C-N 3.26Å; S318-K320 PolarHBondContact O-N 3.03Å; S318-T321 WeakPolarHBondContact CA-OG1 3.41Å; S318-T321 PolarHBondContact O-N 3.05Å; S318-T321 PolarHBondContact O-OG1 3.32Å; S318-S322 PolarHBondContact O-N 2.95Å; S318-S322 VanDerWaalsContact O-N 3.09Å; S318-S322 PolarHBondContact O-OG 3.41Å
319N58.1Low69.9Low102 Ų10292.9 Ų92.955%0.54547%0.465SS..Hα-helixtrans-64.9-25.1174.9-77.8-16000114.1H315 S322 N323H315-N319 PolarHBondContact O-N 2.86Å; N319-S322 WeakPolarHBondContact CA-OG 3.38Å; N319-S322 PolarHBondContact O-OG 2.76Å; N319-S322 VanDerWaalsContact O-OG 3.11Å; N319-N323 PolarHBondContact O-ND2 3.04Å
320K56.9Low68.3Low115 Ų11598.2 Ų98.250%0.549%0.49SS..Hα-helixtrans-78.6-30.8173.7-75.2-178.6-177.7171.70113E316 S317 S318 I324E316-K320 PolarHBondContact O-N 3.31Å; S317-K320 PolarHBondContact O-N 3.35Å; S318-K320 VanDerWaalsContact C-N 3.26Å; S318-K320 PolarHBondContact O-N 3.03Å; K320-I324 VanDerWaalsContact O-CD1 3.31Å; K320-I324 WeakPolarHBondContact O-CD1 3.48Å; K320-I324 WeakPolarHBondContact O-CG1 3.33Å
321T58.1Low66.4Low96 Ų96104.4 Ų104.459%0.58952%0.52SS*.Hα-helixtrans-80.3-28.3178.838.80000112.4S317 S318S317-T321 PolarHBondContact O-N 3.25Å; S317-T321 PolarHBondContact O-OG1 2.91Å; S318-T321 WeakPolarHBondContact CA-OG1 3.41Å; S318-T321 PolarHBondContact O-N 3.05Å; S318-T321 PolarHBondContact O-OG1 3.32Å
322S53.6Low64.5Low69 Ų69104.9 Ų104.948%0.48353%0.525SS..Hα-helixtrans-71.3-28.1173.354.60000113.8S318 N319 I324S318-S322 PolarHBondContact O-N 2.95Å; S318-S322 VanDerWaalsContact O-N 3.09Å; S318-S322 PolarHBondContact O-OG 3.41Å; N319-S322 WeakPolarHBondContact CA-OG 3.38Å; N319-S322 PolarHBondContact O-OG 2.76Å; N319-S322 VanDerWaalsContact O-OG 3.11Å; S322-I324 VanDerWaalsContact C-N 3.29Å; S322-I324 PolarHBondContact O-N 2.89Å
323N47.5Very low62.3Low135 Ų135106 Ų10672%0.72253%0.529SS*.THydrogen-bonded Turntrans-83.97.1177.7-75.4-28.7000114.5N319N319-N323 PolarHBondContact O-ND2 3.04Å
324I46.1Very low60.1Low142 Ų142114.6 Ų114.673%0.72857%0.571SS**THydrogen-bonded Turntrans-111.829.6177.7-55.6166.8000110.9K320 S322K320-I324 VanDerWaalsContact O-CD1 3.31Å; K320-I324 WeakPolarHBondContact O-CD1 3.48Å; K320-I324 WeakPolarHBondContact O-CG1 3.33Å; S322-I324 VanDerWaalsContact C-N 3.29Å; S322-I324 PolarHBondContact O-N 2.89Å
325R40.8Very low58Low298 Ų298116.5 Ų116.5100%1.12559%0.587SS**  trans-115.20167.9-75.2-172.3177.9-175.10.5110.6

Retrieved 325 of 325 residues in 643.9 ms (Link to these results)

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