A0A077Z018_TRITR Loading...

GTP1 OBG domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z018, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 793 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
1M37.2Very low68.3Low243 Ų24376.7 Ų76.7100%1.19744%0.441SS*.  0112.50-71.4-175.9-173.200106.4
2C43.8Very low69.5Low52 Ų5270.6 Ų70.635%0.35141%0.405SS..  trans-77.1138.5176-58.40000108.8S4 E7 A8 L11C2-S4 VanDerWaalsContact C-N 3.27Å; C2-S4 WeakPolarHBondContact CB-O 3.38Å; C2-E7 HydrophobicContact CB-CB 4.01Å; C2-A8 HydrophobicContact CB-CB 3.98Å; C2-L11 VanDerWaalsContact SG-CD1 3.55Å
3S54.8Low69.9Low102 Ų10269.6 Ų69.671%0.71339%0.393SS*.SBendtrans-76.5-19.5178.676.40000112.1E7S3-E7 WeakPolarHBondContact CB-OE2 3.48Å; S3-E7 PolarHBondContact N-OE2 3.13Å; S3-E7 PolarHBondContact OG-OE1 2.8Å; S3-E7 PolarHBondContact OG-OE2 3.41Å
4S73.1Confident70.2Confident48 Ų4872.6 Ų72.634%0.33640%0.402SS..SBendtrans-142.1159.5175.668.60000112.5C2 D6 E7 A8C2-S4 VanDerWaalsContact C-N 3.27Å; C2-S4 WeakPolarHBondContact CB-O 3.38Å; S4-D6 PolarHBondContact O-N 3.11Å; S4-E7 PolarHBondContact O-N 3.22Å; S4-E7 WeakPolarHBondContact OG-CG 3.47Å; S4-E7 PolarHBondContact OG-N 3.28Å; S4-E7 VanDerWaalsContact OG-N 3.16Å; S4-A8 PolarHBondContact O-N 3.34Å
5V73.9Confident71Confident40 Ų4072.7 Ų72.724%0.24240%0.397CS..Hα-helixtrans-64.2-32.8173.3176.40000111E7 A8 I9 L61 L65V5-E7 PolarHBondContact O-N 2.68Å; V5-A8 WeakPolarHBondContact O-CB 3.42Å; V5-A8 PolarHBondContact O-N 2.89Å; V5-A8 VanDerWaalsContact O-N 3.13Å; V5-I9 HydrophobicContact CG1-CD1 3.9Å; V5-I9 HydrophobicContact CG1-CG1 4.26Å; V5-I9 WeakPolarHBondContact O-CG1 2.98Å; V5-I9 PolarHBondContact O-N 3.45Å; V5-L61 HydrophobicContact CB-CD2 4Å; V5-L61 HydrophobicContact CG1-CD2 4.01Å; V5-L61 HydrophobicContact CG2-CD1 4.09Å; V5-L61 HydrophobicContact CG2-CD2 4.03Å; V5-L65 HydrophobicContact CG1-CD2 4.34Å
6D73.3Confident71.3Confident85 Ų8569.4 Ų69.446%0.45538%0.377SS..Hα-helixtrans-67.8-34.8178-64.2-46.4000112.6S4 I9 S10 K64S4-D6 PolarHBondContact O-N 3.11Å; D6-I9 PolarHBondContact O-N 3.32Å; D6-S10 WeakPolarHBondContact O-CB 3.5Å; D6-S10 PolarHBondContact O-N 3.47Å; D6-S10 PolarHBondContact O-OG 2.88Å; D6-K64 IonicContact OD1-NZ 2.79Å; D6-K64 PolarHBondContact OD1-NZ 2.9Å
7E79.7Confident71.1Confident85 Ų8566.2 Ų66.240%0.39736%0.359SS..Hα-helixtrans-63.4-42.1168-78175.3-17400111.9C2 S3 S4 V5 I9 S10 L11C2-E7 HydrophobicContact CB-CB 4.01Å; S3-E7 WeakPolarHBondContact CB-OE2 3.48Å; S3-E7 PolarHBondContact N-OE2 3.13Å; S3-E7 PolarHBondContact OG-OE1 2.8Å; S3-E7 PolarHBondContact OG-OE2 3.41Å; S4-E7 PolarHBondContact O-N 3.22Å; S4-E7 WeakPolarHBondContact OG-CG 3.47Å; S4-E7 PolarHBondContact OG-N 3.28Å; S4-E7 VanDerWaalsContact OG-N 3.16Å; V5-E7 PolarHBondContact O-N 2.68Å; E7-I9 VanDerWaalsContact C-N 3.34Å; E7-I9 PolarHBondContact O-N 3.18Å; E7-S10 PolarHBondContact O-N 2.8Å; E7-L11 WeakPolarHBondContact O-CB 3.37Å; E7-L11 WeakPolarHBondContact O-CG 3.42Å; E7-L11 PolarHBondContact O-N 3.02Å
8A79.8Confident71.1Confident11 Ų1163.9 Ų63.99%0.09135%0.348CS..Hα-helixtrans-63.6-40.6177.400000112.2C2 S4 V5 F12 L42C2-A8 HydrophobicContact CB-CB 3.98Å; S4-A8 PolarHBondContact O-N 3.34Å; V5-A8 WeakPolarHBondContact O-CB 3.42Å; V5-A8 PolarHBondContact O-N 2.89Å; V5-A8 VanDerWaalsContact O-N 3.13Å; A8-F12 VanDerWaalsContact O-CB 3.3Å; A8-F12 WeakPolarHBondContact O-CB 3.1Å; A8-F12 PolarHBondContact O-N 3.43Å; A8-L42 HydrophobicContact CB-CD1 4.27Å; A8-L42 HydrophobicContact CB-CD2 3.82Å
9I78.5Confident71.6Confident14 Ų1461.7 Ų61.77%0.07233%0.334CS..Hα-helixtrans-63.7-45.5173.7-69.4169.5000110V5 D6 E7 L11 F12 K13 K64 L65 M68V5-I9 HydrophobicContact CG1-CD1 3.9Å; V5-I9 HydrophobicContact CG1-CG1 4.26Å; V5-I9 WeakPolarHBondContact O-CG1 2.98Å; V5-I9 PolarHBondContact O-N 3.45Å; D6-I9 PolarHBondContact O-N 3.32Å; E7-I9 VanDerWaalsContact C-N 3.34Å; E7-I9 PolarHBondContact O-N 3.18Å; I9-L11 PolarHBondContact O-N 3.35Å; I9-F12 PolarHBondContact O-N 3.48Å; I9-K13 HydrophobicContact CG2-CD 4.36Å; I9-K13 HydrophobicContact CG2-CG 4.43Å; I9-K13 WeakPolarHBondContact O-CB 3.35Å; I9-K13 WeakPolarHBondContact O-CG 3.43Å; I9-K13 PolarHBondContact O-N 3.29Å; I9-K64 HydrophobicContact CD1-CD 3.6Å; I9-K64 HydrophobicContact CD1-CG 3.86Å; I9-L65 HydrophobicContact CG1-CD2 4.26Å; I9-M68 HydrophobicContact CB-SD 4.41Å; I9-M68 HydrophobicContact CG1-CE 4.24Å; I9-M68 HydrophobicContact CG1-SD 4.04Å; I9-M68 HydrophobicContact CG2-SD 4.05Å
10S76.5Confident71.6Confident76 Ų7659.1 Ų59.153%0.53132%0.32SS..Hα-helixtrans-62.1-42.5179.6-60.30000112D6 E7 K13 Q14D6-S10 WeakPolarHBondContact O-CB 3.5Å; D6-S10 PolarHBondContact O-N 3.47Å; D6-S10 PolarHBondContact O-OG 2.88Å; E7-S10 PolarHBondContact O-N 2.8Å; S10-K13 WeakPolarHBondContact O-CB 3.46Å; S10-K13 PolarHBondContact O-N 3.14Å; S10-Q14 PolarHBondContact O-N 3.34Å
11L80.9Confident71.7Confident88 Ų8860.3 Ų60.346%0.46133%0.326SS..Hα-helixtrans-68.7-37.6174.9-73.4169.5000112.6C2 E7 I9 Q14 F15C2-L11 VanDerWaalsContact SG-CD1 3.55Å; E7-L11 WeakPolarHBondContact O-CB 3.37Å; E7-L11 WeakPolarHBondContact O-CG 3.42Å; E7-L11 PolarHBondContact O-N 3.02Å; I9-L11 PolarHBondContact O-N 3.35Å; L11-Q14 PolarHBondContact O-N 2.73Å; L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.2Å; L11-F15 PolarHBondContact O-N 3.25Å
12F82.8Confident73.7Confident3 Ų353.3 Ų53.31%0.01330%0.297CS..Hα-helixtrans-62.7-45.5174.2170.8-99000111.3A8 I9 F15 R16 T35 R38 I39 L42 M68A8-F12 VanDerWaalsContact O-CB 3.3Å; A8-F12 WeakPolarHBondContact O-CB 3.1Å; A8-F12 PolarHBondContact O-N 3.43Å; I9-F12 PolarHBondContact O-N 3.48Å; F12-F15 PolarHBondContact O-N 3.48Å; F12-R16 WeakPolarHBondContact O-CB 3.28Å; F12-R16 PolarHBondContact O-N 3.36Å; F12-T35 WeakPolarHBondContact CE2-O 3.46Å; F12-R38 HydrophobicContact CD2-CB 4.07Å; F12-R38 HydrophobicContact CD2-CG 3.91Å; F12-R38 HydrophobicContact CE2-CB 4.17Å; F12-I39 HydrophobicContact CD2-CG1 4.06Å; F12-I39 HydrophobicContact CE1-CD1 3.97Å; F12-I39 HydrophobicContact CE1-CG1 4.12Å; F12-I39 HydrophobicContact CE2-CD1 3.92Å; F12-I39 HydrophobicContact CE2-CG1 3.5Å; F12-I39 VanDerWaalsContact CE2-CG1 3.5Å; F12-I39 HydrophobicContact CZ-CD1 3.42Å; F12-I39 VanDerWaalsContact CZ-CD1 3.42Å; F12-I39 HydrophobicContact CZ-CG1 3.53Å; F12-L42 HydrophobicContact CB-CD1 4.45Å; F12-M68 HydrophobicContact CD1-CE 4Å; F12-M68 HydrophobicContact CD1-SD 3.42Å; F12-M68 WeakPolarHBondContact CD1-SD 3.19Å; F12-M68 HydrophobicContact CE1-CB 4.07Å; F12-M68 HydrophobicContact CE1-CE 4.45Å; F12-M68 HydrophobicContact CE1-SD 3.89Å; F12-M68 HydrophobicContact CG-CE 4.34Å; F12-M68 HydrophobicContact CG-SD 4.24Å
13K74.7Confident75.5Confident58 Ų5854.1 Ų54.125%0.25230%0.298SS..Hα-helixtrans-54.3-59.7173.2-77-173.1-170.1-143.10109.4I9 S10 F15 R16 H17 D208I9-K13 HydrophobicContact CG2-CD 4.36Å; I9-K13 HydrophobicContact CG2-CG 4.43Å; I9-K13 WeakPolarHBondContact O-CB 3.35Å; I9-K13 WeakPolarHBondContact O-CG 3.43Å; I9-K13 PolarHBondContact O-N 3.29Å; S10-K13 WeakPolarHBondContact O-CB 3.46Å; S10-K13 PolarHBondContact O-N 3.14Å; K13-F15 VanDerWaalsContact C-N 3.29Å; K13-F15 PolarHBondContact O-N 3.25Å; K13-R16 WeakPolarHBondContact O-CB 3.26Å; K13-R16 PolarHBondContact O-N 2.9Å; K13-H17 VanDerWaalsContact CB-CE1 3.48Å; K13-H17 WeakPolarHBondContact CB-CE1 3.45Å; K13-H17 PolarHBondContact O-CD2 3.22Å; K13-H17 PolarHBondContact O-CE1 3.12Å; K13-H17 VanDerWaalsContact O-CE1 3.31Å; K13-H17 PolarHBondContact O-N 3.37Å; K13-H17 PolarHBondContact O-ND1 2.76Å; K13-H17 PolarHBondContact O-NE2 2.98Å; K13-H17 VanDerWaalsContact O-NE2 3.1Å; K13-D208 WeakPolarHBondContact CE-OD2 3.35Å; K13-D208 IonicContact NZ-OD2 2.79Å; K13-D208 PolarHBondContact NZ-OD2 3.05Å
14Q74Confident76.6Confident111 Ų11153 Ų5352%0.51929%0.288SS..Hα-helixtrans-53.7-42.4179.1-169.3-177.614.800113.5S10 L11 H17 C18S10-Q14 PolarHBondContact O-N 3.34Å; L11-Q14 PolarHBondContact O-N 2.73Å; Q14-H17 PolarHBondContact O-N 3.13Å; Q14-C18 PolarHBondContact O-N 2.63Å
15F81.7Confident77.1Confident74 Ų7458.2 Ų58.233%0.32531%0.312SS..Hα-helixtrans-59.7-49.6175.2167.3-100.2000112L11 F12 K13 H17 Y19 A34 T35 R38L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.2Å; L11-F15 PolarHBondContact O-N 3.25Å; F12-F15 PolarHBondContact O-N 3.48Å; K13-F15 VanDerWaalsContact C-N 3.29Å; K13-F15 PolarHBondContact O-N 3.25Å; F15-H17 PolarHBondContact O-N 2.94Å; F15-Y19 HydrophobicContact CE1-CD2 4.21Å; F15-Y19 HydrophobicContact CE2-CD2 4.06Å; F15-Y19 HydrophobicContact CE2-CE2 4.49Å; F15-Y19 AromaticContact CZ-CD2 3.67Å; F15-Y19 HydrophobicContact CZ-CD2 3.67Å; F15-Y19 AromaticContact CZ-CE2 3.94Å; F15-Y19 HydrophobicContact CZ-CE2 3.94Å; F15-Y19 PolarHBondContact O-N 3.26Å; F15-Y19 VanDerWaalsContact O-N 3.16Å; F15-A34 HydrophobicContact CZ-CB 4.2Å; F15-T35 HydrophobicContact CE1-CG2 4.42Å; F15-R38 HydrophobicContact CD1-CG 4.47Å; F15-R38 HydrophobicContact CE1-CB 4.41Å
16R76.1Confident77.5Confident21 Ų2156.8 Ų56.88%0.07930%0.304CS..Hα-helixtrans-58.6-37.2178.3-172.5174.296.9-155.63.9111.1F12 K13 F31 T35 A207 D208F12-R16 WeakPolarHBondContact O-CB 3.28Å; F12-R16 PolarHBondContact O-N 3.36Å; K13-R16 WeakPolarHBondContact O-CB 3.26Å; K13-R16 PolarHBondContact O-N 2.9Å; R16-F31 HydrophobicContact CG-CE1 4.38Å; R16-F31 HydrophobicContact CG-CE2 4.09Å; R16-F31 HydrophobicContact CG-CZ 3.49Å; R16-F31 VanDerWaalsContact CG-CZ 3.49Å; R16-F31 WeakPolarHBondContact O-CE2 3.26Å; R16-T35 HydrophobicContact CB-CG2 4.24Å; R16-T35 HydrophobicContact CG-CG2 3.75Å; R16-A207 PolarHBondContact NH2-O 3.02Å; R16-D208 IonicContact CZ-OD1 3.69Å; R16-D208 IonicContact NH1-OD1 2.68Å; R16-D208 PolarHBondContact NH1-OD1 2.92Å; R16-D208 IonicContact NH2-OD1 3.08Å; R16-D208 PolarHBondContact NH2-OD1 3.3Å
17H68.1Low77.9Confident15 Ų1554.5 Ų54.57%0.06930%0.295CS..Hα-helixtrans-75-42.5-174-56.2168000113.1K13 Q14 F15 Y19 Y205 D206 A207K13-H17 VanDerWaalsContact CB-CE1 3.48Å; K13-H17 WeakPolarHBondContact CB-CE1 3.45Å; K13-H17 PolarHBondContact O-CD2 3.22Å; K13-H17 PolarHBondContact O-CE1 3.12Å; K13-H17 VanDerWaalsContact O-CE1 3.31Å; K13-H17 PolarHBondContact O-N 3.37Å; K13-H17 PolarHBondContact O-ND1 2.76Å; K13-H17 PolarHBondContact O-NE2 2.98Å; K13-H17 VanDerWaalsContact O-NE2 3.1Å; Q14-H17 PolarHBondContact O-N 3.13Å; F15-H17 PolarHBondContact O-N 2.94Å; H17-Y19 VanDerWaalsContact C-N 3.29Å; H17-Y19 PolarHBondContact O-N 3.38Å; H17-Y205 WeakPolarHBondContact CB-O 3.44Å; H17-Y205 PolarHBondContact CD2-O 3.14Å; H17-Y205 VanDerWaalsContact CG-C 3.42Å; H17-Y205 PolarHBondContact ND1-O 2.83Å; H17-D206 WeakPolarHBondContact CE1-CA 3.32Å; H17-D206 IonicContact CE1-OD1 2.83Å; H17-D206 PolarHBondContact CE1-OD1 3.08Å; H17-D206 VanDerWaalsContact CE1-OD1 3.28Å; H17-D206 IonicContact NE2-OD1 3.92Å; H17-D206 PolarHBondContact NE2-OD1 3.49Å; H17-A207 HydrophobicContact CB-CB 4.4Å; H17-A207 VanDerWaalsContact CD2-CA 3.47Å; H17-A207 WeakPolarHBondContact CD2-CA 3.47Å; H17-A207 WeakPolarHBondContact CD2-CB 3.36Å; H17-A207 PolarHBondContact CD2-N 3.28Å; H17-A207 PolarHBondContact CE1-N 3.28Å; H17-A207 VanDerWaalsContact CE1-N 3.26Å; H17-A207 PolarHBondContact NE2-N 3.16Å
18C71.4Confident77.8Confident25 Ų2553.2 Ų53.217%0.16929%0.294CS..SBendtrans-89.75.7-178.3-650000112.8Q14 F20 L21 T22 Y205Q14-C18 PolarHBondContact O-N 2.63Å; C18-F20 PolarHBondContact O-N 2.85Å; C18-L21 PolarHBondContact O-N 2.89Å; C18-L21 VanDerWaalsContact O-N 3.14Å; C18-T22 PolarHBondContact O-N 2.86Å; C18-T22 PolarHBondContact O-OG1 2.82Å; C18-Y205 VanDerWaalsContact SG-CD1 3.58Å
19Y79.5Confident78Confident21 Ų2160.4 Ų60.48%0.08233%0.326CS..Hα-helixtrans-57-49.7-171.8-174.5-89.1000112.4F15 H17 T22 N23 A26 E30 F31 A34F15-Y19 HydrophobicContact CE1-CD2 4.21Å; F15-Y19 HydrophobicContact CE2-CD2 4.06Å; F15-Y19 HydrophobicContact CE2-CE2 4.49Å; F15-Y19 AromaticContact CZ-CD2 3.67Å; F15-Y19 HydrophobicContact CZ-CD2 3.67Å; F15-Y19 AromaticContact CZ-CE2 3.94Å; F15-Y19 HydrophobicContact CZ-CE2 3.94Å; F15-Y19 PolarHBondContact O-N 3.26Å; F15-Y19 VanDerWaalsContact O-N 3.16Å; H17-Y19 VanDerWaalsContact C-N 3.29Å; H17-Y19 PolarHBondContact O-N 3.38Å; Y19-T22 PolarHBondContact O-N 3.35Å; Y19-T22 PolarHBondContact O-OG1 3.32Å; Y19-N23 HydrophobicContact CD1-CB 4.41Å; Y19-N23 HydrophobicContact CE1-CB 4.14Å; Y19-N23 WeakPolarHBondContact O-CA 3.44Å; Y19-N23 WeakPolarHBondContact O-CB 3.46Å; Y19-N23 PolarHBondContact O-N 2.84Å; Y19-N23 PolarHBondContact O-ND2 3.11Å; Y19-A26 HydrophobicContact CD1-CB 4.5Å; Y19-A26 HydrophobicContact CE1-CB 3.56Å; Y19-E30 PolarHBondContact OH-O 3.19Å; Y19-F31 HydrophobicContact CD1-CB 4.09Å; Y19-F31 AromaticContact CD1-CD2 3.43Å; Y19-F31 HydrophobicContact CD1-CD2 3.43Å; Y19-F31 VanDerWaalsContact CD1-CD2 3.43Å; Y19-F31 HydrophobicContact CD1-CE2 4.33Å; Y19-F31 HydrophobicContact CD1-CG 4.22Å; Y19-F31 HydrophobicContact CE1-CB 3.88Å; Y19-F31 HydrophobicContact CE1-CD2 4.09Å; Y19-F31 HydrophobicContact CE1-CG 4.46Å; Y19-F31 AromaticContact CG-CD2 3.66Å; Y19-F31 HydrophobicContact CG-CD2 3.66Å; Y19-F31 HydrophobicContact CG-CE2 4.19Å; Y19-A34 HydrophobicContact CD2-CB 4.37Å; Y19-A34 HydrophobicContact CE2-CB 3.47Å; Y19-A34 VanDerWaalsContact CE2-CB 3.47Å
20F73.3Confident78.4Confident9 Ų964.6 Ų64.64%0.03935%0.345CS..Hα-helixtrans-76.4-20.4179.4-67.4-68.5000113.7C18 T22 N23 P24 A26 F31 L244 P246 H247C18-F20 PolarHBondContact O-N 2.85Å; F20-T22 VanDerWaalsContact C-N 3.29Å; F20-N23 CarbonylContact O-C 3.58Å; F20-P24 WeakPolarHBondContact O-CA 3.45Å; F20-A26 HydrophobicContact CE1-CB 4.32Å; F20-A26 WeakPolarHBondContact CE1-O 3.35Å; F20-F31 HydrophobicContact CD2-CD2 4.1Å; F20-F31 HydrophobicContact CD2-CE2 4.4Å; F20-F31 HydrophobicContact CE1-CB 4.3Å; F20-F31 HydrophobicContact CE2-CB 4.25Å; F20-F31 AromaticContact CE2-CD2 3.41Å; F20-F31 HydrophobicContact CE2-CD2 3.41Å; F20-F31 VanDerWaalsContact CE2-CD2 3.41Å; F20-F31 AromaticContact CE2-CE2 3.92Å; F20-F31 HydrophobicContact CE2-CE2 3.92Å; F20-F31 AromaticContact CE2-CG 3.92Å; F20-F31 HydrophobicContact CE2-CG 3.92Å; F20-F31 HydrophobicContact CZ-CB 3.64Å; F20-F31 AromaticContact CZ-CD2 3.71Å; F20-F31 HydrophobicContact CZ-CD2 3.71Å; F20-F31 AromaticContact CZ-CG 3.84Å; F20-F31 HydrophobicContact CZ-CG 3.84Å; F20-L244 VanDerWaalsContact CD2-O 3.28Å; F20-L244 WeakPolarHBondContact CD2-O 3.03Å; F20-P246 HydrophobicContact CB-CG 4.2Å; F20-P246 HydrophobicContact CD1-CG 4.45Å; F20-P246 HydrophobicContact CG-CG 4.37Å; F20-H247 AromaticContact CE1-CD2 3.94Å
21L72.3Confident78.8Confident86 Ų8661.1 Ų61.145%0.4532%0.321SS..Hα-helixtrans-70.1-32.1171.6-63.8177.7000111.4C18 Y205 L244C18-L21 PolarHBondContact O-N 2.89Å; C18-L21 VanDerWaalsContact O-N 3.14Å; L21-Y205 HydrophobicContact CD1-CD1 4.46Å; L21-Y205 HydrophobicContact CD1-CE1 3.84Å; L21-L244 HydrophobicContact CD1-CD2 4.43Å
22T79.8Confident78.9Confident96 Ų9660.4 Ų60.459%0.58932%0.317SS*.Hα-helixtrans-92.1-28.1177.950.30000113C18 Y19 F20C18-T22 PolarHBondContact O-N 2.86Å; C18-T22 PolarHBondContact O-OG1 2.82Å; Y19-T22 PolarHBondContact O-N 3.35Å; Y19-T22 PolarHBondContact O-OG1 3.32Å; F20-T22 VanDerWaalsContact C-N 3.29Å
23N82Confident79.1Confident69 Ų6963.1 Ų63.137%0.36934%0.34SS..  trans-128.470.4-180-52.2-86.4000110Y19 F20 D25 A26Y19-N23 HydrophobicContact CD1-CB 4.41Å; Y19-N23 HydrophobicContact CE1-CB 4.14Å; Y19-N23 WeakPolarHBondContact O-CA 3.44Å; Y19-N23 WeakPolarHBondContact O-CB 3.46Å; Y19-N23 PolarHBondContact O-N 2.84Å; Y19-N23 PolarHBondContact O-ND2 3.11Å; F20-N23 CarbonylContact O-C 3.58Å; N23-D25 VanDerWaalsContact C-N 3.25Å; N23-D25 PolarHBondContact O-N 3Å; N23-A26 HydrophobicContact CB-CB 3.88Å; N23-A26 WeakPolarHBondContact O-CB 3.32Å; N23-A26 PolarHBondContact O-N 3.04Å
24P78.2Confident79.7Confident79 Ų7961.6 Ų61.651%0.51334%0.338SS..THydrogen-bonded Turntrans-63.4-28.2-172.823.7-34000114.2F20F20-P24 WeakPolarHBondContact O-CA 3.45Å
25D82.2Confident80.3Confident157 Ų15756.7 Ų56.784%0.8432%0.316SS*.THydrogen-bonded Turntrans-90.1-3.7-178.2-60.7-44.4000113.6N23N23-D25 VanDerWaalsContact C-N 3.25Å; N23-D25 PolarHBondContact O-N 3Å
26A81.9Confident80.6Confident9 Ų955.2 Ų55.27%0.07431%0.312CS..  trans-66.2143.7-175.200000112.3Y19 F20 N23 E30 H247Y19-A26 HydrophobicContact CD1-CB 4.5Å; Y19-A26 HydrophobicContact CE1-CB 3.56Å; F20-A26 HydrophobicContact CE1-CB 4.32Å; F20-A26 WeakPolarHBondContact CE1-O 3.35Å; N23-A26 HydrophobicContact CB-CB 3.88Å; N23-A26 WeakPolarHBondContact O-CB 3.32Å; N23-A26 PolarHBondContact O-N 3.04Å; A26-E30 VanDerWaalsContact CA-OE2 3.22Å; A26-E30 WeakPolarHBondContact CA-OE2 3.47Å; A26-E30 HydrophobicContact CB-CB 4.41Å; A26-H247 PolarHBondContact O-CD2 3.1Å; A26-H247 PolarHBondContact O-NE2 2.9Å
27S83Confident81.3Confident37 Ų3756.6 Ų56.626%0.25933%0.329SS..  trans-78.8160.7174.771.30000112.2E29 E30 F31S27-E29 PolarHBondContact O-N 2.93Å; S27-E30 PolarHBondContact N-OE2 3.22Å; S27-E30 PolarHBondContact O-N 3.29Å; S27-E30 VanDerWaalsContact OG-CG 3.32Å; S27-E30 WeakPolarHBondContact OG-CG 3.25Å; S27-E30 PolarHBondContact OG-N 3Å; S27-E30 VanDerWaalsContact OG-N 3.15Å; S27-E30 PolarHBondContact OG-OE2 3.28Å; S27-F31 PolarHBondContact O-N 2.81Å
28P78Confident82.4Confident59 Ų5961.8 Ų61.838%0.38335%0.348SS..Hα-helixtrans-58.1-31.5172.3-2535.5000113.6L32 H247P28-L32 WeakPolarHBondContact O-CB 3.42Å; P28-L32 PolarHBondContact O-N 3.22Å; P28-H247 HydrophobicContact CG-CB 3.64Å
29E82.1Confident83.2Confident161 Ų16160.7 Ų60.775%0.75234%0.34SS*.Hα-helixtrans-69.4-42.3176.9-66178.4-174.600111.1S27 L32 A33S27-E29 PolarHBondContact O-N 2.93Å; E29-L32 PolarHBondContact O-N 2.75Å; E29-A33 VanDerWaalsContact O-CB 3.29Å; E29-A33 WeakPolarHBondContact O-CB 3.03Å; E29-A33 PolarHBondContact O-N 3.01Å
30E87.2Confident83.7Confident102 Ų10263.2 Ų63.248%0.47736%0.355SS..Hα-helixtrans-64.4-40.8174.6-73.3168160.100111.9Y19 A26 S27 A33 A34Y19-E30 PolarHBondContact OH-O 3.19Å; A26-E30 VanDerWaalsContact CA-OE2 3.22Å; A26-E30 WeakPolarHBondContact CA-OE2 3.47Å; A26-E30 HydrophobicContact CB-CB 4.41Å; S27-E30 PolarHBondContact N-OE2 3.22Å; S27-E30 PolarHBondContact O-N 3.29Å; S27-E30 VanDerWaalsContact OG-CG 3.32Å; S27-E30 WeakPolarHBondContact OG-CG 3.25Å; S27-E30 PolarHBondContact OG-N 3Å; S27-E30 VanDerWaalsContact OG-N 3.15Å; S27-E30 PolarHBondContact OG-OE2 3.28Å; E30-A33 PolarHBondContact O-N 3.1Å; E30-A34 VanDerWaalsContact O-CB 3.24Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 2.99Å
31F84.7Confident84.5Confident4 Ų467 Ų672%0.01838%0.375CS..Hα-helixtrans-58.9-48.5172.7173.3-81.4000111.5R16 Y19 F20 S27 A34 T35 Y211R16-F31 HydrophobicContact CG-CE1 4.38Å; R16-F31 HydrophobicContact CG-CE2 4.09Å; R16-F31 HydrophobicContact CG-CZ 3.49Å; R16-F31 VanDerWaalsContact CG-CZ 3.49Å; R16-F31 WeakPolarHBondContact O-CE2 3.26Å; Y19-F31 HydrophobicContact CD1-CB 4.09Å; Y19-F31 AromaticContact CD1-CD2 3.43Å; Y19-F31 HydrophobicContact CD1-CD2 3.43Å; Y19-F31 VanDerWaalsContact CD1-CD2 3.43Å; Y19-F31 HydrophobicContact CD1-CE2 4.33Å; Y19-F31 HydrophobicContact CD1-CG 4.22Å; Y19-F31 HydrophobicContact CE1-CB 3.88Å; Y19-F31 HydrophobicContact CE1-CD2 4.09Å; Y19-F31 HydrophobicContact CE1-CG 4.46Å; Y19-F31 AromaticContact CG-CD2 3.66Å; Y19-F31 HydrophobicContact CG-CD2 3.66Å; Y19-F31 HydrophobicContact CG-CE2 4.19Å; F20-F31 HydrophobicContact CD2-CD2 4.1Å; F20-F31 HydrophobicContact CD2-CE2 4.4Å; F20-F31 HydrophobicContact CE1-CB 4.3Å; F20-F31 HydrophobicContact CE2-CB 4.25Å; F20-F31 AromaticContact CE2-CD2 3.41Å; F20-F31 HydrophobicContact CE2-CD2 3.41Å; F20-F31 VanDerWaalsContact CE2-CD2 3.41Å; F20-F31 AromaticContact CE2-CE2 3.92Å; F20-F31 HydrophobicContact CE2-CE2 3.92Å; F20-F31 AromaticContact CE2-CG 3.92Å; F20-F31 HydrophobicContact CE2-CG 3.92Å; F20-F31 HydrophobicContact CZ-CB 3.64Å; F20-F31 AromaticContact CZ-CD2 3.71Å; F20-F31 HydrophobicContact CZ-CD2 3.71Å; F20-F31 AromaticContact CZ-CG 3.84Å; F20-F31 HydrophobicContact CZ-CG 3.84Å; S27-F31 PolarHBondContact O-N 2.81Å; F31-A34 PolarHBondContact O-N 3.26Å; F31-T35 HydrophobicContact CD1-CG2 4.26Å; F31-T35 HydrophobicContact CE1-CG2 3.82Å; F31-T35 HydrophobicContact CE2-CG2 4.23Å; F31-T35 HydrophobicContact CZ-CG2 3.86Å; F31-T35 WeakPolarHBondContact O-CB 3.37Å; F31-T35 WeakPolarHBondContact O-CG2 3.3Å; F31-T35 PolarHBondContact O-N 3.43Å; F31-T35 PolarHBondContact O-OG1 3.35Å; F31-Y211 HydrophobicContact CD1-CD2 4.49Å; F31-Y211 AromaticContact CD1-CE1 3.94Å; F31-Y211 HydrophobicContact CD1-CE1 3.94Å; F31-Y211 AromaticContact CD1-CE2 3.57Å; F31-Y211 HydrophobicContact CD1-CE2 3.57Å; F31-Y211 AromaticContact CD1-CZ 3.24Å; F31-Y211 WeakPolarHBondContact CD1-OH 3.32Å; F31-Y211 AromaticContact CE1-CD1 3.91Å; F31-Y211 HydrophobicContact CE1-CD1 3.91Å; F31-Y211 AromaticContact CE1-CD2 3.58Å; F31-Y211 HydrophobicContact CE1-CD2 3.58Å; F31-Y211 AromaticContact CE1-CE1 3.43Å; F31-Y211 HydrophobicContact CE1-CE1 3.43Å; F31-Y211 VanDerWaalsContact CE1-CE1 3.43Å; F31-Y211 AromaticContact CE1-CE2 3.06Å; F31-Y211 HydrophobicContact CE1-CE2 3.06Å; F31-Y211 AromaticContact CE1-CG 3.99Å; F31-Y211 HydrophobicContact CE1-CG 3.99Å; F31-Y211 AromaticContact CE1-CZ 2.98Å; F31-Y211 WeakPolarHBondContact CE1-OH 3.4Å; F31-Y211 HydrophobicContact CE2-CE2 4.22Å; F31-Y211 HydrophobicContact CG-CE2 4.35Å; F31-Y211 AromaticContact CZ-CD2 3.6Å; F31-Y211 HydrophobicContact CZ-CD2 3.6Å; F31-Y211 HydrophobicContact CZ-CE1 4.39Å; F31-Y211 AromaticContact CZ-CE2 3.41Å; F31-Y211 HydrophobicContact CZ-CE2 3.41Å; F31-Y211 VanDerWaalsContact CZ-CE2 3.41Å; F31-Y211 HydrophobicContact CZ-CG 4.2Å; F31-Y211 AromaticContact CZ-CZ 3.86Å
32L83.2Confident85.4Confident73 Ų7363.8 Ų63.838%0.38236%0.358SS..Hα-helixtrans-65.3-41.1-179.5-177.262.3000111.1P28 E29 T35 T36 P70P28-L32 WeakPolarHBondContact O-CB 3.42Å; P28-L32 PolarHBondContact O-N 3.22Å; E29-L32 PolarHBondContact O-N 2.75Å; L32-T35 WeakPolarHBondContact CA-OG1 3.32Å; L32-T35 PolarHBondContact O-OG1 3.23Å; L32-T36 VanDerWaalsContact O-CB 3.24Å; L32-T36 WeakPolarHBondContact O-CB 3.14Å; L32-T36 PolarHBondContact O-N 2.98Å; L32-T36 PolarHBondContact O-OG1 3.36Å; L32-P70 HydrophobicContact CD1-CG 4.22Å
33A87.2Confident85.9Confident60 Ų6059.9 Ų59.950%0.49633%0.334SS..Hα-helixtrans-63.2-45176.100000111.6E29 E30 T36 A37E29-A33 VanDerWaalsContact O-CB 3.29Å; E29-A33 WeakPolarHBondContact O-CB 3.03Å; E29-A33 PolarHBondContact O-N 3.01Å; E30-A33 PolarHBondContact O-N 3.1Å; A33-T36 PolarHBondContact O-N 2.82Å; A33-A37 WeakPolarHBondContact O-CB 3.25Å; A33-A37 PolarHBondContact O-N 3.22Å
34A88.9Confident86.3Confident25 Ų2561.4 Ų61.421%0.20734%0.342CS..Hα-helixtrans-66.5-42.3-179.500000112.6F15 Y19 E30 F31 R38F15-A34 HydrophobicContact CZ-CB 4.2Å; Y19-A34 HydrophobicContact CD2-CB 4.37Å; Y19-A34 HydrophobicContact CE2-CB 3.47Å; Y19-A34 VanDerWaalsContact CE2-CB 3.47Å; E30-A34 VanDerWaalsContact O-CB 3.24Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 2.99Å; F31-A34 PolarHBondContact O-N 3.26Å; A34-R38 WeakPolarHBondContact O-CB 3.31Å; A34-R38 PolarHBondContact O-N 3.22Å
35T85.8Confident86.7Confident9 Ų963.6 Ų63.66%0.05535%0.345CS..Hα-helixtrans-66.9-44.3176.550.10000111.7F12 F15 R16 F31 L32 R38 I39F12-T35 WeakPolarHBondContact CE2-O 3.46Å; F15-T35 HydrophobicContact CE1-CG2 4.42Å; R16-T35 HydrophobicContact CB-CG2 4.24Å; R16-T35 HydrophobicContact CG-CG2 3.75Å; F31-T35 HydrophobicContact CD1-CG2 4.26Å; F31-T35 HydrophobicContact CE1-CG2 3.82Å; F31-T35 HydrophobicContact CE2-CG2 4.23Å; F31-T35 HydrophobicContact CZ-CG2 3.86Å; F31-T35 WeakPolarHBondContact O-CB 3.37Å; F31-T35 WeakPolarHBondContact O-CG2 3.3Å; F31-T35 PolarHBondContact O-N 3.43Å; F31-T35 PolarHBondContact O-OG1 3.35Å; L32-T35 WeakPolarHBondContact CA-OG1 3.32Å; L32-T35 PolarHBondContact O-OG1 3.23Å; T35-R38 PolarHBondContact O-N 3.16Å; T35-I39 WeakPolarHBondContact O-CG1 3.26Å; T35-I39 PolarHBondContact O-N 3Å; T35-I39 VanDerWaalsContact O-N 3.09Å
36T87.9Confident87.1Confident42 Ų4256.5 Ų56.526%0.25831%0.307SS..Hα-helixtrans-62.9-44.5176.1-55.30000111.5L32 A33 R38 I39 N40 L69L32-T36 VanDerWaalsContact O-CB 3.24Å; L32-T36 WeakPolarHBondContact O-CB 3.14Å; L32-T36 PolarHBondContact O-N 2.98Å; L32-T36 PolarHBondContact O-OG1 3.36Å; A33-T36 PolarHBondContact O-N 2.82Å; T36-R38 VanDerWaalsContact C-N 3.31Å; T36-R38 PolarHBondContact O-N 3.45Å; T36-I39 PolarHBondContact O-N 2.97Å; T36-N40 VanDerWaalsContact O-CG 3.29Å; T36-N40 PolarHBondContact O-N 2.83Å; T36-N40 PolarHBondContact O-ND2 2.94Å; T36-L69 HydrophobicContact CG2-CD2 4.24Å
37A91.1Very high87.5Confident51 Ų5159.5 Ų59.542%0.42132%0.32SS..Hα-helixtrans-60.3-40.6177.100000111.9A33 N40 L41A33-A37 WeakPolarHBondContact O-CB 3.25Å; A33-A37 PolarHBondContact O-N 3.22Å; A37-N40 PolarHBondContact O-N 2.83Å; A37-L41 WeakPolarHBondContact O-CG 3.13Å; A37-L41 PolarHBondContact O-N 3.44Å
38R90.2Very high87.7Confident124 Ų12462.8 Ų62.847%0.46834%0.343SS..Hα-helixtrans-66.9-38.7178.2-164.664.5170.8167.10.9112.4F12 F15 A34 T35 T36 L42F12-R38 HydrophobicContact CD2-CB 4.07Å; F12-R38 HydrophobicContact CD2-CG 3.91Å; F12-R38 HydrophobicContact CE2-CB 4.17Å; F15-R38 HydrophobicContact CD1-CG 4.47Å; F15-R38 HydrophobicContact CE1-CB 4.41Å; A34-R38 WeakPolarHBondContact O-CB 3.31Å; A34-R38 PolarHBondContact O-N 3.22Å; T35-R38 PolarHBondContact O-N 3.16Å; T36-R38 VanDerWaalsContact C-N 3.31Å; T36-R38 PolarHBondContact O-N 3.45Å; R38-L42 PolarHBondContact O-N 3.21Å
39I88.7Confident88.1Confident2 Ų261.8 Ų61.81%0.0134%0.337CS..Hα-helixtrans-65.5-43.9173.9-67.7169.9000110.5F12 T35 T36 L41 L42 L43 M68 L69F12-I39 HydrophobicContact CD2-CG1 4.06Å; F12-I39 HydrophobicContact CE1-CD1 3.97Å; F12-I39 HydrophobicContact CE1-CG1 4.12Å; F12-I39 HydrophobicContact CE2-CD1 3.92Å; F12-I39 HydrophobicContact CE2-CG1 3.5Å; F12-I39 VanDerWaalsContact CE2-CG1 3.5Å; F12-I39 HydrophobicContact CZ-CD1 3.42Å; F12-I39 VanDerWaalsContact CZ-CD1 3.42Å; F12-I39 HydrophobicContact CZ-CG1 3.53Å; T35-I39 WeakPolarHBondContact O-CG1 3.26Å; T35-I39 PolarHBondContact O-N 3Å; T35-I39 VanDerWaalsContact O-N 3.09Å; T36-I39 PolarHBondContact O-N 2.97Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 2.94Å; I39-L42 WeakPolarHBondContact O-CB 3.48Å; I39-L42 PolarHBondContact O-N 2.88Å; I39-L42 VanDerWaalsContact O-N 3.07Å; I39-L43 HydrophobicContact CG2-CD1 3.93Å; I39-L43 HydrophobicContact CG2-CG 4.29Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.98Å; I39-M68 HydrophobicContact CD1-CB 3.83Å; I39-M68 HydrophobicContact CG1-CE 4.2Å; I39-L69 HydrophobicContact CD1-CD2 3.56Å; I39-L69 HydrophobicContact CD1-CG 3.91Å; I39-L69 HydrophobicContact CG2-CD2 4.48Å; I39-L69 HydrophobicContact CG2-CG 4.35Å
40N90.4Very high88.4Confident73 Ų7358.3 Ų58.339%0.3932%0.319SS..Hα-helixtrans-60.4-39.9178.7-71.1-18.5000112.1T36 A37 L42 L43 D44T36-N40 VanDerWaalsContact O-CG 3.29Å; T36-N40 PolarHBondContact O-N 2.83Å; T36-N40 PolarHBondContact O-ND2 2.94Å; A37-N40 PolarHBondContact O-N 2.83Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 2.81Å; N40-L43 WeakPolarHBondContact O-CB 3.29Å; N40-L43 PolarHBondContact O-N 3.43Å; N40-L43 VanDerWaalsContact O-N 3.16Å; N40-D44 VanDerWaalsContact O-CG 3.28Å; N40-D44 PolarHBondContact O-N 3.27Å
41L90.5Very high88.4Confident88 Ų8861.2 Ų61.246%0.46134%0.338SS..Hα-helixtrans-59.1-41.9173.1-71.1172000112.5A37 I39 L43 D44 E45A37-L41 WeakPolarHBondContact O-CG 3.13Å; A37-L41 PolarHBondContact O-N 3.44Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 2.94Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-D44 PolarHBondContact O-N 3.32Å; L41-E45 WeakPolarHBondContact O-CG 3.28Å; L41-E45 PolarHBondContact O-N 3.41Å
42L89.4Confident88.5Confident20 Ų2069.9 Ų69.911%0.10538%0.376CS..Hα-helixtrans-67.8-35.4176.4-65.3176.5000112.1A8 F12 R38 I39 N40 L46 L65 M68A8-L42 HydrophobicContact CB-CD1 4.27Å; A8-L42 HydrophobicContact CB-CD2 3.82Å; F12-L42 HydrophobicContact CB-CD1 4.45Å; R38-L42 PolarHBondContact O-N 3.21Å; I39-L42 WeakPolarHBondContact O-CB 3.48Å; I39-L42 PolarHBondContact O-N 2.88Å; I39-L42 VanDerWaalsContact O-N 3.07Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 2.81Å; L42-L46 WeakPolarHBondContact O-CB 3.43Å; L42-L46 PolarHBondContact O-N 3.09Å; L42-L65 HydrophobicContact CB-CD1 4.1Å; L42-L65 HydrophobicContact CB-CD2 4.17Å; L42-L65 HydrophobicContact CD1-CD2 4.15Å; L42-M68 HydrophobicContact CD1-CE 4.44Å
43L90.5Very high88.6Confident14 Ų1469 Ų697%0.07337%0.372CS..Hα-helixtrans-66.2-40.1174.2-71168.6000111.5I39 N40 L41 L46 E47 R62 L65 L66I39-L43 HydrophobicContact CG2-CD1 3.93Å; I39-L43 HydrophobicContact CG2-CG 4.29Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.98Å; N40-L43 WeakPolarHBondContact O-CB 3.29Å; N40-L43 PolarHBondContact O-N 3.43Å; N40-L43 VanDerWaalsContact O-N 3.16Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L43-L46 PolarHBondContact O-N 3.33Å; L43-E47 PolarHBondContact O-N 2.89Å; L43-R62 HydrophobicContact CD2-CG 4.11Å; L43-L65 HydrophobicContact CD2-CB 3.73Å; L43-L65 HydrophobicContact CD2-CD1 3.93Å; L43-L65 HydrophobicContact CG-CB 4.36Å; L43-L65 HydrophobicContact CG-CD1 4.39Å; L43-L66 HydrophobicContact CD1-CD2 3.79Å; L43-L66 HydrophobicContact CD2-CD2 4.29Å; L43-L66 HydrophobicContact CD2-CG 4.2Å
44D90.8Very high88.7Confident101 Ų10170.4 Ų70.454%0.5437%0.37SS..Hα-helixtrans-67.1-39.7176.8-68.5-22.5000111.9N40 L41 E47 S48N40-D44 VanDerWaalsContact O-CG 3.28Å; N40-D44 PolarHBondContact O-N 3.27Å; L41-D44 PolarHBondContact O-N 3.32Å; D44-E47 PolarHBondContact O-N 3.26Å; D44-S48 PolarHBondContact O-N 2.86Å; D44-S48 PolarHBondContact O-OG 3.35Å
45E87.6Confident88.8Confident125 Ų12578.2 Ų78.258%0.58440%0.395SS*.Hα-helixtrans-62.5-41.4171.9-74.6179-175.200111.7L41 S48 S49L41-E45 WeakPolarHBondContact O-CG 3.28Å; L41-E45 PolarHBondContact O-N 3.41Å; E45-S48 PolarHBondContact O-N 2.86Å; E45-S49 PolarHBondContact O-N 2.92Å; E45-S49 PolarHBondContact O-OG 2.8Å; E45-S49 VanDerWaalsContact O-OG 3.11Å
46L89.5Confident89.1Confident7 Ų779.2 Ų79.24%0.03740%0.4CS..Hα-helixtrans-67-39.4175.7-174.866.2000111.8L42 L43 S48 S49 K50 L53 Y58 L61 R62 L65L42-L46 WeakPolarHBondContact O-CB 3.43Å; L42-L46 PolarHBondContact O-N 3.09Å; L43-L46 PolarHBondContact O-N 3.33Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 2.84Å; L46-S49 WeakPolarHBondContact CA-OG 3.36Å; L46-S49 PolarHBondContact O-N 3.47Å; L46-S49 VanDerWaalsContact O-N 3.16Å; L46-S49 PolarHBondContact O-OG 3.16Å; L46-S49 VanDerWaalsContact O-OG 3.04Å; L46-K50 PolarHBondContact O-N 3.41Å; L46-L53 HydrophobicContact CD1-CD1 3.78Å; L46-Y58 HydrophobicContact CD1-CD2 4.48Å; L46-Y58 HydrophobicContact CG-CD2 4.17Å; L46-Y58 HydrophobicContact CG-CE2 4.14Å; L46-L61 HydrophobicContact CD1-CB 4.08Å; L46-L61 HydrophobicContact CD1-CD1 4.1Å; L46-L61 HydrophobicContact CD2-CB 3.94Å; L46-R62 HydrophobicContact CD2-CB 3.77Å; L46-R62 HydrophobicContact CD2-CG 4.48Å; L46-L65 HydrophobicContact CB-CD1 4.31Å; L46-L65 HydrophobicContact CD2-CD1 3.92Å
47E90.1Very high89.2Confident73 Ų7379.2 Ų79.234%0.34140%0.4SS..Hα-helixtrans-63-39.7176.3-16364.6-153.300111.3L43 D44 S49 K50 Y58 R62L43-E47 PolarHBondContact O-N 2.89Å; D44-E47 PolarHBondContact O-N 3.26Å; E47-S49 PolarHBondContact O-N 3.14Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 2.72Å; E47-K50 WeakPolarHBondContact OE1-CD 3.29Å; E47-K50 IonicContact OE1-NZ 2.66Å; E47-K50 PolarHBondContact OE1-NZ 3Å; E47-Y58 PolarHBondContact OE2-OH 3.04Å; E47-R62 IonicContact OE2-CZ 3.85Å; E47-R62 IonicContact OE2-NH1 2.99Å; E47-R62 PolarHBondContact OE2-NH1 3.33Å
48S88.7Confident89.3Confident106 Ų10677.8 Ų77.874%0.74139%0.385SS*.Hα-helixtrans-66.7-19.9177.5-58.60000113.4D44 E45 L46D44-S48 PolarHBondContact O-N 2.86Å; D44-S48 PolarHBondContact O-OG 3.35Å; E45-S48 PolarHBondContact O-N 2.86Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 2.84Å
49S86.1Confident89.4Confident37 Ų3772.5 Ų72.526%0.25937%0.366SS..THydrogen-bonded Turntrans-1054.7179.355.50000113.8E45 L46 E47 D51 K52E45-S49 PolarHBondContact O-N 2.92Å; E45-S49 PolarHBondContact O-OG 2.8Å; E45-S49 VanDerWaalsContact O-OG 3.11Å; L46-S49 WeakPolarHBondContact CA-OG 3.36Å; L46-S49 PolarHBondContact O-N 3.47Å; L46-S49 VanDerWaalsContact O-N 3.16Å; L46-S49 PolarHBondContact O-OG 3.16Å; L46-S49 VanDerWaalsContact O-OG 3.04Å; E47-S49 PolarHBondContact O-N 3.14Å; S49-D51 VanDerWaalsContact C-N 3.3Å; S49-D51 PolarHBondContact O-N 3.06Å; S49-K52 WeakPolarHBondContact O-CB 3.26Å; S49-K52 PolarHBondContact O-N 3.14Å
50K87.5Confident89.6Confident88 Ų8873.5 Ų73.538%0.38337%0.371SS..G310 helixtrans-52.3-42.3-177-176.5-179.3-165.2167.50114.1L46 E47 K52 L53 Y58L46-K50 PolarHBondContact O-N 3.41Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 2.72Å; E47-K50 WeakPolarHBondContact OE1-CD 3.29Å; E47-K50 IonicContact OE1-NZ 2.66Å; E47-K50 PolarHBondContact OE1-NZ 3Å; K50-K52 PolarHBondContact O-N 2.96Å; K50-K52 VanDerWaalsContact O-N 3.17Å; K50-L53 PolarHBondContact O-N 3.06Å; K50-Y58 HydrophobicContact CB-CD2 4.05Å; K50-Y58 HydrophobicContact CB-CE2 3.88Å; K50-Y58 HydrophobicContact CD-CE2 4.12Å; K50-Y58 HydrophobicContact CG-CD2 3.87Å; K50-Y58 HydrophobicContact CG-CE2 3.75Å; K50-Y58 HydrophobicContact CG-CG 4.32Å
51D86.9Confident89.7Confident163 Ų16371.2 Ų71.287%0.87236%0.358SS*.G310 helixtrans-68.3-14-178-63.3-32.3000113.5S49S49-D51 VanDerWaalsContact C-N 3.3Å; S49-D51 PolarHBondContact O-N 3.06Å
52K86.8Confident89.8Confident186 Ų18669.1 Ų69.181%0.80934%0.344SS*.G310 helixtrans-93.1-11.5178.7-59.7179.4-177.9174.60113.3S49 K50S49-K52 WeakPolarHBondContact O-CB 3.26Å; S49-K52 PolarHBondContact O-N 3.14Å; K50-K52 PolarHBondContact O-N 2.96Å; K50-K52 VanDerWaalsContact O-N 3.17Å
53L85.7Confident90Very high56 Ų5668.1 Ų68.129%0.29334%0.339SS..SBendtrans-111.7143.8-173.4-67.6162.4000109.5L46 K50 T57 L61L46-L53 HydrophobicContact CD1-CD1 3.78Å; K50-L53 PolarHBondContact O-N 3.06Å; L53-T57 HydrophobicContact CD2-CG2 3.95Å; L53-L61 HydrophobicContact CD1-CD1 4.23Å; L53-L61 HydrophobicContact CD2-CD1 4.42Å
54D89.7Confident90Very high88 Ų8869 Ų6947%0.47134%0.342SS..  trans-66.9154.7167.669.6-85.7000110.2T56 T57 Y58D54-T56 PolarHBondContact O-N 2.82Å; D54-T56 WeakPolarHBondContact OD2-CA 3.45Å; D54-T56 VanDerWaalsContact OD2-CB 3.22Å; D54-T56 WeakPolarHBondContact OD2-CB 3.48Å; D54-T56 PolarHBondContact OD2-N 2.88Å; D54-T57 VanDerWaalsContact CG-OG1 3.25Å; D54-T57 PolarHBondContact O-N 3Å; D54-T57 WeakPolarHBondContact OD1-CB 3.48Å; D54-T57 PolarHBondContact OD1-OG1 3.03Å; D54-T57 PolarHBondContact OD2-N 2.84Å; D54-T57 PolarHBondContact OD2-OG1 2.88Å; D54-Y58 WeakPolarHBondContact O-CB 3.39Å; D54-Y58 PolarHBondContact O-N 3.34Å
55R91.5Very high90Very high190 Ų19064.3 Ų64.372%0.71732%0.317SS*.Hα-helixtrans-55.3-38.5-176.1-179178.3176.6179.9-1.2112.4C59R55-C59 VanDerWaalsContact O-CB 3.29Å; R55-C59 WeakPolarHBondContact O-CB 3.42Å; R55-C59 PolarHBondContact O-N 2.98Å; R55-C59 PolarHBondContact O-SG 2.93Å; R55-C59 VanDerWaalsContact O-SG 3.34Å
56T92.2Very high90.2Very high29 Ų2958.9 Ų58.918%0.17829%0.292CS..Hα-helixtrans-67.7-49.4-178.1-540000110.4D54 C59 F60 L87D54-T56 PolarHBondContact O-N 2.82Å; D54-T56 WeakPolarHBondContact OD2-CA 3.45Å; D54-T56 VanDerWaalsContact OD2-CB 3.22Å; D54-T56 WeakPolarHBondContact OD2-CB 3.48Å; D54-T56 PolarHBondContact OD2-N 2.88Å; T56-C59 PolarHBondContact O-N 2.85Å; T56-F60 WeakPolarHBondContact O-CB 3.37Å; T56-F60 PolarHBondContact O-N 3.17Å; T56-L87 HydrophobicContact CG2-CD2 3.95Å; T56-L87 HydrophobicContact CG2-CG 3.72Å
57T89.9Confident90.1Very high42 Ų4259.3 Ų59.326%0.25830%0.295SS..Hα-helixtrans-64.1-43.5178.4-58.70000111.7L53 D54 C59 F60 L61L53-T57 HydrophobicContact CD2-CG2 3.95Å; D54-T57 VanDerWaalsContact CG-OG1 3.25Å; D54-T57 PolarHBondContact O-N 3Å; D54-T57 WeakPolarHBondContact OD1-CB 3.48Å; D54-T57 PolarHBondContact OD1-OG1 3.03Å; D54-T57 PolarHBondContact OD2-N 2.84Å; D54-T57 PolarHBondContact OD2-OG1 2.88Å; T57-C59 PolarHBondContact O-N 2.97Å; T57-F60 PolarHBondContact O-N 2.82Å; T57-L61 HydrophobicContact CG2-CD1 3.99Å; T57-L61 HydrophobicContact CG2-CG 4.35Å; T57-L61 WeakPolarHBondContact O-CG 3.48Å; T57-L61 PolarHBondContact O-N 3.17Å
58Y92Very high89.9Confident22 Ų2257 Ų579%0.08628%0.284CS..Hα-helixtrans-59.7-47.4175.4168.4-91.5000111.7L46 E47 K50 D54 F60 L61 R62L46-Y58 HydrophobicContact CD1-CD2 4.48Å; L46-Y58 HydrophobicContact CG-CD2 4.17Å; L46-Y58 HydrophobicContact CG-CE2 4.14Å; E47-Y58 PolarHBondContact OE2-OH 3.04Å; K50-Y58 HydrophobicContact CB-CD2 4.05Å; K50-Y58 HydrophobicContact CB-CE2 3.88Å; K50-Y58 HydrophobicContact CD-CE2 4.12Å; K50-Y58 HydrophobicContact CG-CD2 3.87Å; K50-Y58 HydrophobicContact CG-CE2 3.75Å; K50-Y58 HydrophobicContact CG-CG 4.32Å; D54-Y58 WeakPolarHBondContact O-CB 3.39Å; D54-Y58 PolarHBondContact O-N 3.34Å; Y58-F60 VanDerWaalsContact C-N 3.33Å; Y58-F60 PolarHBondContact O-N 3.09Å; Y58-L61 PolarHBondContact O-N 3.01Å; Y58-R62 VanDerWaalsContact O-CB 3.29Å; Y58-R62 WeakPolarHBondContact O-CB 3.26Å; Y58-R62 PolarHBondContact O-N 3.39Å; Y58-R62 PolarHBondContact OH-NH1 3.31Å
59C93.5Very high89.6Confident13 Ų1353.7 Ų53.79%0.08826%0.258CS..Hα-helixtrans-62.8-38.4177.1-78.50000112.2R55 T56 T57 G63 C79 V82R55-C59 VanDerWaalsContact O-CB 3.29Å; R55-C59 WeakPolarHBondContact O-CB 3.42Å; R55-C59 PolarHBondContact O-N 2.98Å; R55-C59 PolarHBondContact O-SG 2.93Å; R55-C59 VanDerWaalsContact O-SG 3.34Å; T56-C59 PolarHBondContact O-N 2.85Å; T57-C59 PolarHBondContact O-N 2.97Å; C59-G63 PolarHBondContact O-N 3.42Å; C59-C79 HydrophobicContact CB-CB 4.26Å; C59-C79 WeakPolarHBondContact CB-O 3.2Å; C59-C79 WeakPolarHBondContact O-CB 3.4Å; C59-V82 HydrophobicContact CB-CB 4.27Å; C59-V82 HydrophobicContact CB-CG1 4.19Å
60F93.1Very high89.1Confident23 Ų2354 Ų5410%0.10126%0.259CS..Hα-helixtrans-61.7-52.5175.3175.5-117.6000111.9T56 T57 Y58 R62 G63 K64 L80 A83 L87 E92 A93T56-F60 WeakPolarHBondContact O-CB 3.37Å; T56-F60 PolarHBondContact O-N 3.17Å; T57-F60 PolarHBondContact O-N 2.82Å; Y58-F60 VanDerWaalsContact C-N 3.33Å; Y58-F60 PolarHBondContact O-N 3.09Å; F60-R62 PolarHBondContact O-N 2.78Å; F60-G63 PolarHBondContact O-N 3.16Å; F60-K64 HydrophobicContact CZ-CD 4.41Å; F60-K64 WeakPolarHBondContact O-CB 3.09Å; F60-K64 PolarHBondContact O-N 3.42Å; F60-L80 HydrophobicContact CD2-CD2 4.46Å; F60-A83 HydrophobicContact CB-CB 3.7Å; F60-A83 HydrophobicContact CD2-CB 4.28Å; F60-A83 HydrophobicContact CG-CB 4.46Å; F60-L87 HydrophobicContact CD2-CD1 4.5Å; F60-L87 HydrophobicContact CG-CD1 4.49Å; F60-E92 HydrophobicContact CE2-CB 4Å; F60-E92 HydrophobicContact CZ-CB 3.72Å; F60-A93 HydrophobicContact CD2-CB 3.81Å; F60-A93 HydrophobicContact CE2-CB 3.99Å
61L91.6Very high88.9Confident25 Ų2557.1 Ų57.113%0.13128%0.275CS..Hα-helixtrans-63.4-43-179.1-65.1174.1000111.7V5 L46 L53 T57 Y58 K64 L65V5-L61 HydrophobicContact CB-CD2 4Å; V5-L61 HydrophobicContact CG1-CD2 4.01Å; V5-L61 HydrophobicContact CG2-CD1 4.09Å; V5-L61 HydrophobicContact CG2-CD2 4.03Å; L46-L61 HydrophobicContact CD1-CB 4.08Å; L46-L61 HydrophobicContact CD1-CD1 4.1Å; L46-L61 HydrophobicContact CD2-CB 3.94Å; L53-L61 HydrophobicContact CD1-CD1 4.23Å; L53-L61 HydrophobicContact CD2-CD1 4.42Å; T57-L61 HydrophobicContact CG2-CD1 3.99Å; T57-L61 HydrophobicContact CG2-CG 4.35Å; T57-L61 WeakPolarHBondContact O-CG 3.48Å; T57-L61 PolarHBondContact O-N 3.17Å; Y58-L61 PolarHBondContact O-N 3.01Å; L61-K64 PolarHBondContact O-N 3.34Å; L61-L65 WeakPolarHBondContact O-CG 3.25Å; L61-L65 PolarHBondContact O-N 3.3Å
62R93.3Very high89.1Confident43 Ų4353.1 Ų53.116%0.16225%0.248CC..Hα-helixtrans-62.8-44176.2-170.7-177.7-17690.10.9111.1L43 L46 E47 Y58 F60 L65 L66 E75L43-R62 HydrophobicContact CD2-CG 4.11Å; L46-R62 HydrophobicContact CD2-CB 3.77Å; L46-R62 HydrophobicContact CD2-CG 4.48Å; E47-R62 IonicContact OE2-CZ 3.85Å; E47-R62 IonicContact OE2-NH1 2.99Å; E47-R62 PolarHBondContact OE2-NH1 3.33Å; Y58-R62 VanDerWaalsContact O-CB 3.29Å; Y58-R62 WeakPolarHBondContact O-CB 3.26Å; Y58-R62 PolarHBondContact O-N 3.39Å; Y58-R62 PolarHBondContact OH-NH1 3.31Å; F60-R62 PolarHBondContact O-N 2.78Å; R62-L65 PolarHBondContact O-N 2.94Å; R62-L66 HydrophobicContact CG-CD1 4.08Å; R62-L66 HydrophobicContact CG-CG 4.49Å; R62-L66 WeakPolarHBondContact O-CB 3.3Å; R62-L66 WeakPolarHBondContact O-CG 3.48Å; R62-L66 PolarHBondContact O-N 3.2Å; R62-E75 IonicContact CZ-OE1 3.38Å; R62-E75 IonicContact NE-OE1 2.8Å; R62-E75 PolarHBondContact NE-OE1 3.09Å; R62-E75 IonicContact NH2-OE1 2.74Å; R62-E75 PolarHBondContact NH2-OE1 2.8Å
63G92.6Very high89.3Confident0 Ų045.6 Ų45.60%022%0.219CC..Hα-helixtrans-57.5-4817500000112.2C59 F60 L66 N67 C76C59-G63 PolarHBondContact O-N 3.42Å; F60-G63 PolarHBondContact O-N 3.16Å; G63-L66 PolarHBondContact O-N 3.18Å; G63-N67 WeakPolarHBondContact O-CB 3.27Å; G63-N67 PolarHBondContact O-N 2.9Å; G63-C76 PolarHBondContact O-SG 3Å
64K90.9Very high89.7Confident31 Ų3146 Ų4614%0.13523%0.23CC..Hα-helixtrans-59.8-45177.1-164.7176.3-172.9-179.80111.7D6 I9 F60 L61 N67 M68 E96D6-K64 IonicContact OD1-NZ 2.79Å; D6-K64 PolarHBondContact OD1-NZ 2.9Å; I9-K64 HydrophobicContact CD1-CD 3.6Å; I9-K64 HydrophobicContact CD1-CG 3.86Å; F60-K64 HydrophobicContact CZ-CD 4.41Å; F60-K64 WeakPolarHBondContact O-CB 3.09Å; F60-K64 PolarHBondContact O-N 3.42Å; L61-K64 PolarHBondContact O-N 3.34Å; K64-N67 PolarHBondContact O-N 3.49Å; K64-M68 PolarHBondContact O-N 3.48Å; K64-E96 HydrophobicContact CG-CG 4.36Å
65L90.8Very high89.9Confident4 Ų446 Ų462%0.02123%0.227CC..Hα-helixtrans-64.4-47177.1-69.2178.7000112.6V5 I9 L42 L43 L46 L61 R62 N67 M68V5-L65 HydrophobicContact CG1-CD2 4.34Å; I9-L65 HydrophobicContact CG1-CD2 4.26Å; L42-L65 HydrophobicContact CB-CD1 4.1Å; L42-L65 HydrophobicContact CB-CD2 4.17Å; L42-L65 HydrophobicContact CD1-CD2 4.15Å; L43-L65 HydrophobicContact CD2-CB 3.73Å; L43-L65 HydrophobicContact CD2-CD1 3.93Å; L43-L65 HydrophobicContact CG-CB 4.36Å; L43-L65 HydrophobicContact CG-CD1 4.39Å; L46-L65 HydrophobicContact CB-CD1 4.31Å; L46-L65 HydrophobicContact CD2-CD1 3.92Å; L61-L65 WeakPolarHBondContact O-CG 3.25Å; L61-L65 PolarHBondContact O-N 3.3Å; R62-L65 PolarHBondContact O-N 2.94Å; L65-N67 PolarHBondContact O-N 3.48Å; L65-M68 HydrophobicContact CB-CE 4.39Å; L65-M68 HydrophobicContact CD2-CE 3.44Å; L65-M68 VanDerWaalsContact CD2-CE 3.44Å; L65-M68 HydrophobicContact CG-CE 4.5Å; L65-M68 WeakPolarHBondContact O-CB 3.33Å; L65-M68 PolarHBondContact O-N 2.97Å; L65-M68 VanDerWaalsContact O-N 3.12Å
66L91Very high90.1Very high11 Ų1137 Ų376%0.05819%0.193CC..Hα-helixtrans-62.5-33.7177.1-71.6171000111.8L43 R62 G63 M68 L69 E75 C76L43-L66 HydrophobicContact CD1-CD2 3.79Å; L43-L66 HydrophobicContact CD2-CD2 4.29Å; L43-L66 HydrophobicContact CD2-CG 4.2Å; R62-L66 HydrophobicContact CG-CD1 4.08Å; R62-L66 HydrophobicContact CG-CG 4.49Å; R62-L66 WeakPolarHBondContact O-CB 3.3Å; R62-L66 WeakPolarHBondContact O-CG 3.48Å; R62-L66 PolarHBondContact O-N 3.2Å; G63-L66 PolarHBondContact O-N 3.18Å; L66-M68 PolarHBondContact O-N 3.09Å; L66-L69 WeakPolarHBondContact O-CB 3.3Å; L66-L69 PolarHBondContact O-N 3.02Å; L66-L69 VanDerWaalsContact O-N 3.15Å; L66-E75 HydrophobicContact CD1-CB 4.26Å; L66-E75 HydrophobicContact CD1-CG 3.94Å; L66-C76 HydrophobicContact CB-CB 3.74Å; L66-C76 HydrophobicContact CD1-CB 4.2Å
67N89.1Confident90.2Very high16 Ų1636.2 Ų36.29%0.08619%0.188CC..THydrogen-bonded Turntrans-72.3-8.1178.5-152.924.9000113.4G63 K64 L65 L69 E96 K103G63-N67 WeakPolarHBondContact O-CB 3.27Å; G63-N67 PolarHBondContact O-N 2.9Å; K64-N67 PolarHBondContact O-N 3.49Å; L65-N67 PolarHBondContact O-N 3.48Å; N67-L69 VanDerWaalsContact C-N 3.27Å; N67-E96 PolarHBondContact ND2-O 3.3Å; N67-E96 VanDerWaalsContact ND2-O 3.1Å; N67-E96 PolarHBondContact ND2-OE2 2.93Å; N67-K103 PolarHBondContact O-NZ 3Å; N67-K103 PolarHBondContact OD1-NZ 3.42Å
68M84.6Confident90.5Very high25 Ų2536.8 Ų36.812%0.12320%0.197CC..THydrogen-bonded Turntrans-75.4-18.5169.8-64-166.2-69.900112.9I9 F12 I39 L42 K64 L65 L66I9-M68 HydrophobicContact CB-SD 4.41Å; I9-M68 HydrophobicContact CG1-CE 4.24Å; I9-M68 HydrophobicContact CG1-SD 4.04Å; I9-M68 HydrophobicContact CG2-SD 4.05Å; F12-M68 HydrophobicContact CD1-CE 4Å; F12-M68 HydrophobicContact CD1-SD 3.42Å; F12-M68 WeakPolarHBondContact CD1-SD 3.19Å; F12-M68 HydrophobicContact CE1-CB 4.07Å; F12-M68 HydrophobicContact CE1-CE 4.45Å; F12-M68 HydrophobicContact CE1-SD 3.89Å; F12-M68 HydrophobicContact CG-CE 4.34Å; F12-M68 HydrophobicContact CG-SD 4.24Å; I39-M68 HydrophobicContact CD1-CB 3.83Å; I39-M68 HydrophobicContact CG1-CE 4.2Å; L42-M68 HydrophobicContact CD1-CE 4.44Å; K64-M68 PolarHBondContact O-N 3.48Å; L65-M68 HydrophobicContact CB-CE 4.39Å; L65-M68 HydrophobicContact CD2-CE 3.44Å; L65-M68 VanDerWaalsContact CD2-CE 3.44Å; L65-M68 HydrophobicContact CG-CE 4.5Å; L65-M68 WeakPolarHBondContact O-CB 3.33Å; L65-M68 PolarHBondContact O-N 2.97Å; L65-M68 VanDerWaalsContact O-N 3.12Å; L66-M68 PolarHBondContact O-N 3.09Å
69L83.1Confident90.6Very high36 Ų3636.4 Ų36.419%0.18820%0.198CC..SBendtrans-69.7146.1173.4-67.7168.4000110.4T36 I39 L66 N67 E71 K103T36-L69 HydrophobicContact CG2-CD2 4.24Å; I39-L69 HydrophobicContact CD1-CD2 3.56Å; I39-L69 HydrophobicContact CD1-CG 3.91Å; I39-L69 HydrophobicContact CG2-CD2 4.48Å; I39-L69 HydrophobicContact CG2-CG 4.35Å; L66-L69 WeakPolarHBondContact O-CB 3.3Å; L66-L69 PolarHBondContact O-N 3.02Å; L66-L69 VanDerWaalsContact O-N 3.15Å; N67-L69 VanDerWaalsContact C-N 3.27Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.4Å; L69-K103 PolarHBondContact O-NZ 2.93Å
70P76.1Confident90.7Very high43 Ų4335.8 Ų35.828%0.27919%0.193SC..SBendtrans-62.4-35.6-176.725.7-36.5000113.1L32 N212L32-P70 HydrophobicContact CD1-CG 4.22Å; P70-N212 WeakPolarHBondContact CA-ND2 3.46Å; P70-N212 WeakPolarHBondContact CB-ND2 3.31Å
71E83.7Confident90.8Very high153 Ų15340.3 Ų40.372%0.71521%0.21SC*.SBendtrans-90.2156.8-172-64.7-178.3179.400112.6L69L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.4Å
72Y89.6Confident91Very high79 Ų7941.3 Ų41.331%0.3122%0.217SC..  trans-66.1136.2171164-101.4000110.7A74 E77 K104Y72-A74 HydrophobicContact CE1-CB 4.26Å; Y72-E77 HydrophobicContact CE2-CB 4.22Å; Y72-E77 WeakPolarHBondContact CE2-OE2 3.36Å; Y72-E77 PolarHBondContact OH-OE2 3.16Å; Y72-K104 HydrophobicContact CD2-CB 3.68Å; Y72-K104 HydrophobicContact CD2-CD 4.49Å; Y72-K104 HydrophobicContact CD2-CG 4.15Å; Y72-K104 HydrophobicContact CE1-CG 4.36Å; Y72-K104 HydrophobicContact CE2-CB 3.84Å; Y72-K104 HydrophobicContact CE2-CD 3.81Å; Y72-K104 HydrophobicContact CE2-CG 3.93Å; Y72-K104 HydrophobicContact CG-CB 4.15Å; Y72-K104 HydrophobicContact CG-CG 4.45Å
73S91.5Very high91Very high28 Ų2839.2 Ų39.220%0.19621%0.209CC..  trans-123.1122.1173.8168.40000110.5E75 C76 E77S73-E75 PolarHBondContact O-N 3.46Å; S73-E75 PolarHBondContact OG-N 2.91Å; S73-C76 WeakPolarHBondContact O-CB 3.29Å; S73-C76 PolarHBondContact O-N 3Å; S73-C76 PolarHBondContact OG-N 3.47Å; S73-C76 VanDerWaalsContact OG-N 3.16Å; S73-E77 PolarHBondContact O-N 3.39Å; S73-E77 VanDerWaalsContact O-N 3.09Å
74A94.6Very high91Very high64 Ų6440.5 Ų40.553%0.52922%0.216SC..Hα-helixtrans-63.4-30.7173.900000112Y72 E77 A78Y72-A74 HydrophobicContact CE1-CB 4.26Å; A74-E77 PolarHBondContact O-N 2.95Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.17Å
75E94Very high91.1Very high88 Ų8845.8 Ų45.841%0.41125%0.246SC..Hα-helixtrans-66.7-41.9174-173.8-174.7171.800111.4R62 L66 S73 A78 C79R62-E75 IonicContact CZ-OE1 3.38Å; R62-E75 IonicContact NE-OE1 2.8Å; R62-E75 PolarHBondContact NE-OE1 3.09Å; R62-E75 IonicContact NH2-OE1 2.74Å; R62-E75 PolarHBondContact NH2-OE1 2.8Å; L66-E75 HydrophobicContact CD1-CB 4.26Å; L66-E75 HydrophobicContact CD1-CG 3.94Å; S73-E75 PolarHBondContact O-N 3.46Å; S73-E75 PolarHBondContact OG-N 2.91Å; E75-A78 PolarHBondContact O-N 2.84Å; E75-C79 WeakPolarHBondContact O-CB 3.46Å; E75-C79 PolarHBondContact O-N 3.39Å; E75-C79 PolarHBondContact O-SG 3.21Å
76C94.1Very high91Very high1 Ų147.7 Ų47.71%0.00727%0.267CS..Hα-helixtrans-58.9-48.7173.9178.70000110.9G63 L66 S73 A78 C79 L80G63-C76 PolarHBondContact O-SG 3Å; L66-C76 HydrophobicContact CB-CB 3.74Å; L66-C76 HydrophobicContact CD1-CB 4.2Å; S73-C76 WeakPolarHBondContact O-CB 3.29Å; S73-C76 PolarHBondContact O-N 3Å; S73-C76 PolarHBondContact OG-N 3.47Å; S73-C76 VanDerWaalsContact OG-N 3.16Å; C76-A78 VanDerWaalsContact C-N 3.35Å; C76-A78 PolarHBondContact O-N 3.07Å; C76-C79 PolarHBondContact O-N 2.89Å; C76-L80 WeakPolarHBondContact O-CB 3.33Å; C76-L80 WeakPolarHBondContact O-CG 3.44Å; C76-L80 PolarHBondContact O-N 3.49Å; C76-L80 VanDerWaalsContact SG-CD1 3.52Å
77E95.9Very high90.9Very high13 Ų1349.9 Ų49.96%0.06128%0.278CS..Hα-helixtrans-58.7-45177.4-172.5-177.6158.700111.6Y72 S73 A74 L80 R81 L97 K104Y72-E77 HydrophobicContact CE2-CB 4.22Å; Y72-E77 WeakPolarHBondContact CE2-OE2 3.36Å; Y72-E77 PolarHBondContact OH-OE2 3.16Å; S73-E77 PolarHBondContact O-N 3.39Å; S73-E77 VanDerWaalsContact O-N 3.09Å; A74-E77 PolarHBondContact O-N 2.95Å; E77-L80 PolarHBondContact O-N 3.16Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.36Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-CZ 2.66Å; E77-R81 IonicContact OE1-NE 3.18Å; E77-R81 PolarHBondContact OE1-NE 2.91Å; E77-R81 VanDerWaalsContact OE1-NE 3.13Å; E77-R81 IonicContact OE1-NH2 3.72Å; E77-R81 PolarHBondContact OE1-NH2 2.87Å; E77-L97 HydrophobicContact CG-CD1 4.07Å; E77-K104 IonicContact OE1-NZ 3.45Å; E77-K104 PolarHBondContact OE1-NZ 3.13Å; E77-K104 IonicContact OE2-NZ 3.69Å; E77-K104 PolarHBondContact OE2-NZ 2.93Å
78A95.8Very high90.6Very high55 Ų5558.2 Ų58.246%0.45532%0.317SS..Hα-helixtrans-63.4-43.9178.900000112.3A74 E75 C76 V82A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.17Å; E75-A78 PolarHBondContact O-N 2.84Å; C76-A78 VanDerWaalsContact C-N 3.35Å; C76-A78 PolarHBondContact O-N 3.07Å; A78-V82 WeakPolarHBondContact O-CG2 3.3Å; A78-V82 PolarHBondContact O-N 2.8Å
79C94.7Very high90.6Very high14 Ų1461.4 Ų61.410%0.09534%0.337CS..Hα-helixtrans-64.1-45.2177.9-68.90000111.7C59 E75 C76 R81 V82 A83C59-C79 HydrophobicContact CB-CB 4.26Å; C59-C79 WeakPolarHBondContact CB-O 3.2Å; C59-C79 WeakPolarHBondContact O-CB 3.4Å; E75-C79 WeakPolarHBondContact O-CB 3.46Å; E75-C79 PolarHBondContact O-N 3.39Å; E75-C79 PolarHBondContact O-SG 3.21Å; C76-C79 PolarHBondContact O-N 2.89Å; C79-R81 PolarHBondContact O-N 3.47Å; C79-V82 PolarHBondContact O-N 2.95Å; C79-A83 PolarHBondContact O-N 3.17Å
80L95.5Very high90.9Very high0 Ų060.1 Ų60.10%033%0.331CS..Hα-helixtrans-68.5-34.3-179.1-70170.5000112.5F60 C76 E77 A83 V84 E96 L97 C100F60-L80 HydrophobicContact CD2-CD2 4.46Å; C76-L80 WeakPolarHBondContact O-CB 3.33Å; C76-L80 WeakPolarHBondContact O-CG 3.44Å; C76-L80 PolarHBondContact O-N 3.49Å; C76-L80 VanDerWaalsContact SG-CD1 3.52Å; E77-L80 PolarHBondContact O-N 3.16Å; L80-A83 WeakPolarHBondContact O-CB 3.48Å; L80-A83 PolarHBondContact O-N 3.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 2.79Å; L80-E96 HydrophobicContact CD1-CB 3.9Å; L80-E96 HydrophobicContact CD2-CB 3.7Å; L80-E96 HydrophobicContact CG-CB 4.46Å; L80-L97 HydrophobicContact CB-CB 4.08Å; L80-L97 HydrophobicContact CB-CD1 3.95Å; L80-C100 HydrophobicContact CD1-CB 4.14Å
81R95.3Very high91.7Very high118 Ų11858.6 Ų58.645%0.44532%0.321SS..Hα-helixtrans-60.4-45.6171.7-75.8174.2-179.8-114.84.2111.9E77 C79 A83 V84 D85 L97E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.36Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-CZ 2.66Å; E77-R81 IonicContact OE1-NE 3.18Å; E77-R81 PolarHBondContact OE1-NE 2.91Å; E77-R81 VanDerWaalsContact OE1-NE 3.13Å; E77-R81 IonicContact OE1-NH2 3.72Å; E77-R81 PolarHBondContact OE1-NH2 2.87Å; C79-R81 PolarHBondContact O-N 3.47Å; R81-A83 VanDerWaalsContact C-N 3.28Å; R81-A83 PolarHBondContact O-N 2.87Å; R81-V84 PolarHBondContact O-N 3.47Å; R81-D85 PolarHBondContact O-N 2.9Å; R81-L97 HydrophobicContact CG-CD1 4.14Å; R81-L97 HydrophobicContact CG-CD2 4.2Å
82V94.3Very high92Very high45 Ų4556.8 Ų56.827%0.27331%0.313SS..Hα-helixtrans-60.8-39.3175.4174.60000111.3C59 A78 C79 D85 G86C59-V82 HydrophobicContact CB-CB 4.27Å; C59-V82 HydrophobicContact CB-CG1 4.19Å; A78-V82 WeakPolarHBondContact O-CG2 3.3Å; A78-V82 PolarHBondContact O-N 2.8Å; C79-V82 PolarHBondContact O-N 2.95Å; V82-D85 PolarHBondContact O-N 2.81Å; V82-G86 PolarHBondContact O-N 2.81Å; V82-G86 VanDerWaalsContact O-N 3.15Å
83A93.1Very high92.2Very high0 Ų053 Ų530%030%0.298CS..Hα-helixtrans-64.5-43.9176.300000112.5F60 C79 L80 R81 D85 G86 L87 A93F60-A83 HydrophobicContact CB-CB 3.7Å; F60-A83 HydrophobicContact CD2-CB 4.28Å; F60-A83 HydrophobicContact CG-CB 4.46Å; C79-A83 PolarHBondContact O-N 3.17Å; L80-A83 WeakPolarHBondContact O-CB 3.48Å; L80-A83 PolarHBondContact O-N 3.38Å; R81-A83 VanDerWaalsContact C-N 3.28Å; R81-A83 PolarHBondContact O-N 2.87Å; A83-D85 VanDerWaalsContact C-N 3.33Å; A83-D85 PolarHBondContact O-N 2.8Å; A83-G86 PolarHBondContact O-N 2.79Å; A83-L87 HydrophobicContact CB-CD1 4.45Å; A83-L87 WeakPolarHBondContact O-CB 3.46Å; A83-L87 VanDerWaalsContact O-CG 3.24Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å; A83-A93 HydrophobicContact CB-CB 4.07Å
84V93.2Very high92.3Very high26 Ų2652.3 Ų52.316%0.15829%0.292CS..Hα-helixtrans-61.7-41.5177.7170.50000111.5L80 R81 G86 P90 A93 L94 L97L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 2.79Å; R81-V84 PolarHBondContact O-N 3.47Å; V84-G86 VanDerWaalsContact C-N 3.33Å; V84-G86 PolarHBondContact O-N 3.16Å; V84-P90 HydrophobicContact CB-CB 4.41Å; V84-P90 HydrophobicContact CG1-CB 4.21Å; V84-P90 HydrophobicContact CG1-CG 4.49Å; V84-P90 HydrophobicContact CG2-CB 4.49Å; V84-A93 HydrophobicContact CG2-CB 3.71Å; V84-L94 HydrophobicContact CG1-CD2 3.76Å; V84-L94 HydrophobicContact CG1-CG 4.14Å; V84-L94 HydrophobicContact CG2-CD2 3.98Å; V84-L94 HydrophobicContact CG2-CG 4.03Å; V84-L97 HydrophobicContact CG2-CD2 4.03Å
85D92.3Very high92.2Very high142 Ų14249.7 Ų49.776%0.75927%0.269SS*.Hα-helixtrans-71.3-27.1-179.8-68.5-22.4000113.1R81 V82 A83R81-D85 PolarHBondContact O-N 2.9Å; V82-D85 PolarHBondContact O-N 2.81Å; A83-D85 VanDerWaalsContact C-N 3.33Å; A83-D85 PolarHBondContact O-N 2.8Å
86G89.6Confident92.2Very high44 Ų4447.4 Ų47.445%0.45426%0.259SS..Hα-helixtrans-97-23.2-174.900000115.9V82 A83 V84V82-G86 PolarHBondContact O-N 2.81Å; V82-G86 VanDerWaalsContact O-N 3.15Å; A83-G86 PolarHBondContact O-N 2.79Å; V84-G86 VanDerWaalsContact C-N 3.33Å; V84-G86 PolarHBondContact O-N 3.16Å
87L88.1Confident92.2Very high57 Ų5747.9 Ų47.930%0.29826%0.261SS..  trans-84.7136.1-177.7-69.9170000111.4T56 F60 A83 V89 P90 A93T56-L87 HydrophobicContact CG2-CD2 3.95Å; T56-L87 HydrophobicContact CG2-CG 3.72Å; F60-L87 HydrophobicContact CD2-CD1 4.5Å; F60-L87 HydrophobicContact CG-CD1 4.49Å; A83-L87 HydrophobicContact CB-CD1 4.45Å; A83-L87 WeakPolarHBondContact O-CB 3.46Å; A83-L87 VanDerWaalsContact O-CG 3.24Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å; L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.08Å; L87-P90 HydrophobicContact CB-CB 4.17Å; L87-A93 HydrophobicContact CD1-CB 3.88Å
88Q83.6Confident92.1Very high192 Ų19247.3 Ų47.390%0.89726%0.258SS*.SBendtrans-64.4-34.3176.5-71.5-174.4-1200113.2
89V85.2Confident91.9Very high92 Ų9246.2 Ų46.256%0.55825%0.245SC*.SBendtrans-127.982.3178-175.40000108.1L87 C91L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.08Å; V89-C91 VanDerWaalsContact CG1-SG 3.55Å; V89-C91 PolarHBondContact O-N 3.34Å
90P89.3Confident91.8Very high9 Ų945.6 Ų45.66%0.05824%0.241CC..  trans-80.733-169.633.9-36.6000113.2V84 L87 A93 L94V84-P90 HydrophobicContact CB-CB 4.41Å; V84-P90 HydrophobicContact CG1-CB 4.21Å; V84-P90 HydrophobicContact CG1-CG 4.49Å; V84-P90 HydrophobicContact CG2-CB 4.49Å; L87-P90 HydrophobicContact CB-CB 4.17Å; P90-A93 HydrophobicContact CB-CB 4.5Å; P90-A93 PolarHBondContact O-N 3.25Å; P90-L94 HydrophobicContact CB-CD1 4.39Å; P90-L94 HydrophobicContact CB-CG 4.37Å; P90-L94 HydrophobicContact CG-CD1 3.99Å; P90-L94 HydrophobicContact CG-CG 4.45Å; P90-L94 VanDerWaalsContact O-CB 3.23Å; P90-L94 WeakPolarHBondContact O-CB 3.31Å; P90-L94 WeakPolarHBondContact O-CD1 3.23Å; P90-L94 WeakPolarHBondContact O-CG 3.11Å; P90-L94 PolarHBondContact O-N 2.75Å
91C91.3Very high91.7Very high10 Ų1045.7 Ų45.77%0.06824%0.241CC..Hα-helixtrans-61.4-50.9-174-64.10000112.2V89 L94 N95 S117 H120 K121V89-C91 VanDerWaalsContact CG1-SG 3.55Å; V89-C91 PolarHBondContact O-N 3.34Å; C91-L94 PolarHBondContact O-N 3.16Å; C91-N95 PolarHBondContact O-N 3.04Å; C91-N95 PolarHBondContact O-ND2 3.21Å; C91-N95 PolarHBondContact O-OD1 2.84Å; C91-S117 PolarHBondContact O-OG 2.98Å; C91-S117 VanDerWaalsContact O-OG 3.13Å; C91-H120 WeakPolarHBondContact SG-CB 3.36Å; C91-K121 VanDerWaalsContact SG-CB 3.6Å
92E90.7Very high91.5Very high115 Ų11542.4 Ų42.454%0.53723%0.23SC..Hα-helixtrans-67.4-41.4179.1-66.5-178.4-160.200111.7F60 L94 N95 E96F60-E92 HydrophobicContact CE2-CB 4Å; F60-E92 HydrophobicContact CZ-CB 3.72Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.4Å; E92-N95 WeakPolarHBondContact O-CB 3.45Å; E92-N95 PolarHBondContact O-N 3.47Å; E92-E96 WeakPolarHBondContact O-CG 3.15Å; E92-E96 PolarHBondContact O-N 2.8Å
93A93.1Very high91.2Very high1 Ų143.7 Ų43.71%0.00823%0.232CC..Hα-helixtrans-63.4-38.3177.100000112.3F60 A83 V84 L87 P90 L97F60-A93 HydrophobicContact CD2-CB 3.81Å; F60-A93 HydrophobicContact CE2-CB 3.99Å; A83-A93 HydrophobicContact CB-CB 4.07Å; V84-A93 HydrophobicContact CG2-CB 3.71Å; L87-A93 HydrophobicContact CD1-CB 3.88Å; P90-A93 HydrophobicContact CB-CB 4.5Å; P90-A93 PolarHBondContact O-N 3.25Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 2.85Å
94L95.3Very high91.1Very high13 Ų1348.5 Ų48.57%0.06825%0.253CS..Hα-helixtrans-67-37.5174-77.6167.9000112.2V84 P90 C91 E92 G98 A116V84-L94 HydrophobicContact CG1-CD2 3.76Å; V84-L94 HydrophobicContact CG1-CG 4.14Å; V84-L94 HydrophobicContact CG2-CD2 3.98Å; V84-L94 HydrophobicContact CG2-CG 4.03Å; P90-L94 HydrophobicContact CB-CD1 4.39Å; P90-L94 HydrophobicContact CB-CG 4.37Å; P90-L94 HydrophobicContact CG-CD1 3.99Å; P90-L94 HydrophobicContact CG-CG 4.45Å; P90-L94 VanDerWaalsContact O-CB 3.23Å; P90-L94 WeakPolarHBondContact O-CB 3.31Å; P90-L94 WeakPolarHBondContact O-CD1 3.23Å; P90-L94 WeakPolarHBondContact O-CG 3.11Å; P90-L94 PolarHBondContact O-N 2.75Å; C91-L94 PolarHBondContact O-N 3.16Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.4Å; L94-G98 PolarHBondContact O-N 3.08Å; L94-A116 HydrophobicContact CD1-CB 3.98Å; L94-A116 HydrophobicContact CD2-CB 4.34Å
95N92.7Very high90.8Very high8 Ų848.9 Ų48.94%0.04326%0.263CS..Hα-helixtrans-64.8-49175.4-66-10.1000110.9C91 E92 L97 G98 N99 F114 S117 N123 Q125 A126C91-N95 PolarHBondContact O-N 3.04Å; C91-N95 PolarHBondContact O-ND2 3.21Å; C91-N95 PolarHBondContact O-OD1 2.84Å; E92-N95 WeakPolarHBondContact O-CB 3.45Å; E92-N95 PolarHBondContact O-N 3.47Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 2.93Å; N95-G98 PolarHBondContact O-N 2.88Å; N95-N99 PolarHBondContact O-N 3.32Å; N95-N99 PolarHBondContact O-ND2 3.28Å; N95-F114 WeakPolarHBondContact O-CE1 3.38Å; N95-S117 WeakPolarHBondContact OD1-CB 3.17Å; N95-S117 PolarHBondContact OD1-OG 3.15Å; N95-N123 PolarHBondContact ND2-OD1 2.81Å; N95-Q125 HydrophobicContact CB-CG 4.06Å; N95-A126 WeakPolarHBondContact OD1-CB 3.19Å
96E93Very high90.8Very high41 Ų4145.3 Ų45.319%0.19224%0.244CC..Hα-helixtrans-61.8-42176.6-69.2-59.4156.700111.7K64 N67 L80 E92 N99 C100K64-E96 HydrophobicContact CG-CG 4.36Å; N67-E96 PolarHBondContact ND2-O 3.3Å; N67-E96 VanDerWaalsContact ND2-O 3.1Å; N67-E96 PolarHBondContact ND2-OE2 2.93Å; L80-E96 HydrophobicContact CD1-CB 3.9Å; L80-E96 HydrophobicContact CD2-CB 3.7Å; L80-E96 HydrophobicContact CG-CB 4.46Å; E92-E96 WeakPolarHBondContact O-CG 3.15Å; E92-E96 PolarHBondContact O-N 2.8Å; E96-N99 PolarHBondContact O-N 3.29Å; E96-C100 WeakPolarHBondContact O-CB 3.3Å; E96-C100 PolarHBondContact O-N 3.37Å
97L94.8Very high90.8Very high11 Ų1143.6 Ų43.66%0.05822%0.224CC..Hα-helixtrans-63.6-43.9176.4-178.460.4000111.1E77 L80 R81 V84 A93 N95 N99 C100 I101E77-L97 HydrophobicContact CG-CD1 4.07Å; L80-L97 HydrophobicContact CB-CB 4.08Å; L80-L97 HydrophobicContact CB-CD1 3.95Å; R81-L97 HydrophobicContact CG-CD1 4.14Å; R81-L97 HydrophobicContact CG-CD2 4.2Å; V84-L97 HydrophobicContact CG2-CD2 4.03Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 2.85Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 2.93Å; L97-N99 VanDerWaalsContact C-N 3.3Å; L97-N99 PolarHBondContact O-N 2.89Å; L97-C100 PolarHBondContact O-N 3.31Å; L97-I101 HydrophobicContact CD1-CD1 3.78Å; L97-I101 HydrophobicContact CD1-CG1 4.16Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-I101 HydrophobicContact CG-CD1 3.69Å; L97-I101 HydrophobicContact CG-CG1 4.43Å; L97-I101 WeakPolarHBondContact O-CB 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.23Å; L97-I101 PolarHBondContact O-N 3.11Å
98G93.4Very high90.9Very high0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-57.9-42.6174.900000111.9L94 N95 I101 F102 F114L94-G98 PolarHBondContact O-N 3.08Å; N95-G98 PolarHBondContact O-N 2.88Å; G98-I101 PolarHBondContact O-N 2.87Å; G98-F102 WeakPolarHBondContact O-CB 3.05Å; G98-F102 PolarHBondContact O-N 2.99Å; G98-F114 VanDerWaalsContact C-CZ 3.4Å
99N91.9Very high91.3Very high33 Ų3339.2 Ų39.218%0.17620%0.2CC..Hα-helixtrans-67.2-40.6175.9-75.3-32.3000112.9N95 E96 L97 F102 K103 F114 D129N95-N99 PolarHBondContact O-N 3.32Å; N95-N99 PolarHBondContact O-ND2 3.28Å; E96-N99 PolarHBondContact O-N 3.29Å; L97-N99 VanDerWaalsContact C-N 3.3Å; L97-N99 PolarHBondContact O-N 2.89Å; N99-F102 WeakPolarHBondContact O-CB 3.27Å; N99-F102 PolarHBondContact O-N 3.27Å; N99-K103 WeakPolarHBondContact O-CG 3.39Å; N99-K103 PolarHBondContact O-N 2.85Å; N99-K103 VanDerWaalsContact O-N 3.11Å; N99-F114 WeakPolarHBondContact OD1-CZ 3.36Å; N99-D129 PolarHBondContact ND2-OD2 3.17Å; N99-D129 PolarHBondContact OD1-OD2 3.46Å
100C92.7Very high91.7Very high1 Ų134.9 Ų34.91%0.00717%0.173CC..Hα-helixtrans-61.7-44.4173.9-175.10000111.6L80 E96 L97 F102 K103 K104L80-C100 HydrophobicContact CD1-CB 4.14Å; E96-C100 WeakPolarHBondContact O-CB 3.3Å; E96-C100 PolarHBondContact O-N 3.37Å; L97-C100 PolarHBondContact O-N 3.31Å; C100-F102 VanDerWaalsContact C-N 3.35Å; C100-K103 WeakPolarHBondContact O-CB 3.41Å; C100-K103 PolarHBondContact O-N 3.03Å; C100-K104 PolarHBondContact O-N 2.8Å; C100-K104 VanDerWaalsContact O-N 3.14Å
101I93.3Very high91.8Very high2 Ų235.9 Ų35.91%0.0118%0.177CC..Hα-helixtrans-70-33.3178.6-67.4170.2000111.4L97 G98 K103 K104 G105 D106 L109 A110L97-I101 HydrophobicContact CD1-CD1 3.78Å; L97-I101 HydrophobicContact CD1-CG1 4.16Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-I101 HydrophobicContact CG-CD1 3.69Å; L97-I101 HydrophobicContact CG-CG1 4.43Å; L97-I101 WeakPolarHBondContact O-CB 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.23Å; L97-I101 PolarHBondContact O-N 3.11Å; G98-I101 PolarHBondContact O-N 2.87Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 3.47Å; I101-K104 VanDerWaalsContact O-CB 3.28Å; I101-K104 WeakPolarHBondContact O-CB 3.26Å; I101-K104 PolarHBondContact O-N 2.96Å; I101-K104 VanDerWaalsContact O-N 3.16Å; I101-G105 PolarHBondContact O-N 3.45Å; I101-D106 HydrophobicContact CG2-CB 3.93Å; I101-D106 VanDerWaalsContact CG2-O 3.3Å; I101-D106 WeakPolarHBondContact CG2-O 3.35Å; I101-D106 PolarHBondContact O-N 3.5Å; I101-L109 HydrophobicContact CD1-CD2 3.71Å; I101-L109 HydrophobicContact CD1-CG 3.82Å; I101-L109 HydrophobicContact CG1-CD2 4.44Å; I101-L109 HydrophobicContact CG2-CB 3.82Å; I101-L109 HydrophobicContact CG2-CD2 4.08Å; I101-L109 HydrophobicContact CG2-CG 4.04Å; I101-A110 HydrophobicContact CB-CB 4.46Å; I101-A110 HydrophobicContact CG2-CB 4.13Å
102F90.1Very high91.9Very high49 Ų4938.2 Ų38.222%0.21519%0.193CC..Hα-helixtrans-59.3-43.4171.3-175.5-88.9000111.1G98 N99 C100 K104 G105 L107 A110 I132 V133 Q213G98-F102 WeakPolarHBondContact O-CB 3.05Å; G98-F102 PolarHBondContact O-N 2.99Å; N99-F102 WeakPolarHBondContact O-CB 3.27Å; N99-F102 PolarHBondContact O-N 3.27Å; C100-F102 VanDerWaalsContact C-N 3.35Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 2.6Å; F102-G105 WeakPolarHBondContact O-CA 3.23Å; F102-G105 PolarHBondContact O-N 2.71Å; F102-L107 HydrophobicContact CD2-CD2 3.68Å; F102-L107 HydrophobicContact CE2-CD2 3.59Å; F102-L107 HydrophobicContact CZ-CD2 4.47Å; F102-A110 HydrophobicContact CB-CB 4.24Å; F102-I132 HydrophobicContact CE2-CG2 4.31Å; F102-I132 HydrophobicContact CZ-CG2 4.27Å; F102-V133 HydrophobicContact CD2-CG2 3.79Å; F102-V133 HydrophobicContact CE2-CG2 4.02Å; F102-Q213 VanDerWaalsContact CE1-NE2 3.28Å
103K88.8Confident92.1Very high72 Ų7233.3 Ų33.331%0.31317%0.171SC..Hα-helixtrans-63.6-33.4173.9-66.6174.2-177172.30113.2N67 L69 N99 C100 I101 G105N67-K103 PolarHBondContact O-NZ 3Å; N67-K103 PolarHBondContact OD1-NZ 3.42Å; L69-K103 PolarHBondContact O-NZ 2.93Å; N99-K103 WeakPolarHBondContact O-CG 3.39Å; N99-K103 PolarHBondContact O-N 2.85Å; N99-K103 VanDerWaalsContact O-N 3.11Å; C100-K103 WeakPolarHBondContact O-CB 3.41Å; C100-K103 PolarHBondContact O-N 3.03Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 3.47Å; K103-G105 PolarHBondContact O-N 3.07Å
104K90.9Very high92.1Very high100 Ų10033.3 Ų33.344%0.43517%0.171SC..Hα-helixtrans-65.4-21.3172.4-166.2-179.2-173.51690112.7Y72 E77 C100 I101 F102Y72-K104 HydrophobicContact CD2-CB 3.68Å; Y72-K104 HydrophobicContact CD2-CD 4.49Å; Y72-K104 HydrophobicContact CD2-CG 4.15Å; Y72-K104 HydrophobicContact CE1-CG 4.36Å; Y72-K104 HydrophobicContact CE2-CB 3.84Å; Y72-K104 HydrophobicContact CE2-CD 3.81Å; Y72-K104 HydrophobicContact CE2-CG 3.93Å; Y72-K104 HydrophobicContact CG-CB 4.15Å; Y72-K104 HydrophobicContact CG-CG 4.45Å; E77-K104 IonicContact OE1-NZ 3.45Å; E77-K104 PolarHBondContact OE1-NZ 3.13Å; E77-K104 IonicContact OE2-NZ 3.69Å; E77-K104 PolarHBondContact OE2-NZ 2.93Å; C100-K104 PolarHBondContact O-N 2.8Å; C100-K104 VanDerWaalsContact O-N 3.14Å; I101-K104 VanDerWaalsContact O-CB 3.28Å; I101-K104 WeakPolarHBondContact O-CB 3.26Å; I101-K104 PolarHBondContact O-N 2.96Å; I101-K104 VanDerWaalsContact O-N 3.16Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 2.6Å
105G87.9Confident92Very high35 Ų3536.2 Ų36.236%0.36118%0.184SC..THydrogen-bonded Turntrans92.92-179.500000115I101 F102 K103 L107I101-G105 PolarHBondContact O-N 3.45Å; F102-G105 WeakPolarHBondContact O-CA 3.23Å; F102-G105 PolarHBondContact O-N 2.71Å; K103-G105 PolarHBondContact O-N 3.07Å; G105-L107 PolarHBondContact O-N 3.37Å
106D91.3Very high92.1Very high67 Ų6737.3 Ų37.336%0.35819%0.194SC..  trans-8782.8176.9-173.1-8.5000111.1I101 W108 L109 A110I101-D106 HydrophobicContact CG2-CB 3.93Å; I101-D106 VanDerWaalsContact CG2-O 3.3Å; I101-D106 WeakPolarHBondContact CG2-O 3.35Å; I101-D106 PolarHBondContact O-N 3.5Å; D106-W108 VanDerWaalsContact C-N 3.26Å; D106-W108 PolarHBondContact O-N 3.18Å; D106-W108 PolarHBondContact OD1-N 2.89Å; D106-L109 HydrophobicContact CB-CB 4.42Å; D106-L109 PolarHBondContact O-N 3.49Å; D106-L109 PolarHBondContact OD1-N 3.29Å; D106-L109 WeakPolarHBondContact OD2-CB 3.42Å; D106-A110 WeakPolarHBondContact O-CB 3.31Å; D106-A110 PolarHBondContact O-N 2.88Å
107L89Confident92.1Very high8 Ų835.3 Ų35.34%0.04219%0.185CC..Hα-helixtrans-65.3-27-175.9-56.4-179.7000114.2F102 G105 K111 D136 R138 I139F102-L107 HydrophobicContact CD2-CD2 3.68Å; F102-L107 HydrophobicContact CE2-CD2 3.59Å; F102-L107 HydrophobicContact CZ-CD2 4.47Å; G105-L107 PolarHBondContact O-N 3.37Å; L107-K111 WeakPolarHBondContact O-CB 3.09Å; L107-K111 PolarHBondContact O-N 2.77Å; L107-D136 HydrophobicContact CD1-CB 3.8Å; L107-D136 WeakPolarHBondContact CD1-OD1 3.43Å; L107-R138 HydrophobicContact CD1-CB 4.04Å; L107-R138 VanDerWaalsContact CD1-CZ 3.46Å; L107-I139 HydrophobicContact CB-CD1 3.53Å; L107-I139 HydrophobicContact CB-CG1 4.12Å; L107-I139 HydrophobicContact CD1-CD1 4.12Å; L107-I139 HydrophobicContact CD1-CG1 4.06Å
108W90.2Very high92Very high94 Ų9435.8 Ų35.836%0.35619%0.188SC..Hα-helixtrans-74.7-41.9-177.4-75.1101.6000111.2D106 K111 S112 I139 R142 L143D106-W108 VanDerWaalsContact C-N 3.26Å; D106-W108 PolarHBondContact O-N 3.18Å; D106-W108 PolarHBondContact OD1-N 2.89Å; W108-K111 HydrophobicContact CE3-CD 4.37Å; W108-K111 HydrophobicContact CZ3-CD 4.36Å; W108-K111 WeakPolarHBondContact O-CB 3.13Å; W108-K111 PolarHBondContact O-N 3.22Å; W108-S112 PolarHBondContact O-N 3.32Å; W108-S112 PolarHBondContact O-OG 3.4Å; W108-I139 HydrophobicContact CZ2-CG1 4.45Å; W108-R142 HydrophobicContact CZ2-CB 4.29Å; W108-L143 HydrophobicContact CH2-CD1 3.85Å; W108-L143 HydrophobicContact CH2-CD2 4.33Å; W108-L143 HydrophobicContact CH2-CG 4.05Å; W108-L143 HydrophobicContact CZ3-CD1 4.14Å
109L93.2Very high91.9Very high63 Ų6343.1 Ų43.133%0.3323%0.226SC..Hα-helixtrans-69.2-39.4174.2-172.362.7000110.7I101 D106 K111 S112 C113I101-L109 HydrophobicContact CD1-CD2 3.71Å; I101-L109 HydrophobicContact CD1-CG 3.82Å; I101-L109 HydrophobicContact CG1-CD2 4.44Å; I101-L109 HydrophobicContact CG2-CB 3.82Å; I101-L109 HydrophobicContact CG2-CD2 4.08Å; I101-L109 HydrophobicContact CG2-CG 4.04Å; D106-L109 HydrophobicContact CB-CB 4.42Å; D106-L109 PolarHBondContact O-N 3.49Å; D106-L109 PolarHBondContact OD1-N 3.29Å; D106-L109 WeakPolarHBondContact OD2-CB 3.42Å; L109-K111 PolarHBondContact O-N 2.85Å; L109-S112 WeakPolarHBondContact O-CB 3.26Å; L109-S112 PolarHBondContact O-N 3.03Å; L109-S112 VanDerWaalsContact O-N 3.13Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 PolarHBondContact O-SG 3.37Å
110A92.5Very high91.8Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-58.1-47.9172.600000112I101 F102 D106 S112 C113 F114I101-A110 HydrophobicContact CB-CB 4.46Å; I101-A110 HydrophobicContact CG2-CB 4.13Å; F102-A110 HydrophobicContact CB-CB 4.24Å; D106-A110 WeakPolarHBondContact O-CB 3.31Å; D106-A110 PolarHBondContact O-N 2.88Å; A110-S112 VanDerWaalsContact C-N 3.28Å; A110-S112 PolarHBondContact O-N 3.26Å; A110-C113 WeakPolarHBondContact O-CB 3.5Å; A110-C113 PolarHBondContact O-N 3.5Å; A110-F114 HydrophobicContact CB-CE2 4.15Å; A110-F114 WeakPolarHBondContact O-CD2 3.4Å; A110-F114 PolarHBondContact O-N 2.98Å; A110-F114 VanDerWaalsContact O-N 3.12Å
111K91.9Very high91.7Very high30 Ų3053.3 Ų53.313%0.1327%0.27CS..Hα-helixtrans-52.2-47.6172.7179.5-178.9173.1-73.90111.6L107 W108 L109 C113 F114 E115 L130 V133 L134L107-K111 WeakPolarHBondContact O-CB 3.09Å; L107-K111 PolarHBondContact O-N 2.77Å; W108-K111 HydrophobicContact CE3-CD 4.37Å; W108-K111 HydrophobicContact CZ3-CD 4.36Å; W108-K111 WeakPolarHBondContact O-CB 3.13Å; W108-K111 PolarHBondContact O-N 3.22Å; L109-K111 PolarHBondContact O-N 2.85Å; K111-C113 VanDerWaalsContact C-N 3.34Å; K111-C113 PolarHBondContact O-N 3.14Å; K111-F114 PolarHBondContact O-N 3.43Å; K111-E115 VanDerWaalsContact CE-OE1 3.24Å; K111-E115 WeakPolarHBondContact CE-OE1 3.44Å; K111-E115 HydrophobicContact CG-CG 4.49Å; K111-E115 IonicContact NZ-OE1 3.44Å; K111-E115 PolarHBondContact NZ-OE1 2.91Å; K111-E115 IonicContact NZ-OE2 2.73Å; K111-E115 PolarHBondContact NZ-OE2 3.48Å; K111-E115 WeakPolarHBondContact O-CG 3.46Å; K111-E115 PolarHBondContact O-N 2.85Å; K111-L130 HydrophobicContact CG-CD1 3.83Å; K111-V133 HydrophobicContact CB-CG1 3.81Å; K111-L134 HydrophobicContact CD-CD2 4.36Å
112S93.5Very high91.5Very high60 Ų6059.2 Ų59.242%0.4229%0.292SS..Hα-helixtrans-64.5-37.7-178.1-54.30000111.9W108 L109 A110 A116W108-S112 PolarHBondContact O-N 3.32Å; W108-S112 PolarHBondContact O-OG 3.4Å; L109-S112 WeakPolarHBondContact O-CB 3.26Å; L109-S112 PolarHBondContact O-N 3.03Å; L109-S112 VanDerWaalsContact O-N 3.13Å; A110-S112 VanDerWaalsContact C-N 3.28Å; A110-S112 PolarHBondContact O-N 3.26Å; S112-A116 VanDerWaalsContact O-CB 3.3Å; S112-A116 WeakPolarHBondContact O-CB 3.34Å; S112-A116 PolarHBondContact O-N 2.86Å
113C94.5Very high91.5Very high11 Ų1158.2 Ų58.27%0.07429%0.289CS..Hα-helixtrans-62.6-46.7174.5-67.50000112.1L109 A110 K111 A116 S117L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 PolarHBondContact O-SG 3.37Å; A110-C113 WeakPolarHBondContact O-CB 3.5Å; A110-C113 PolarHBondContact O-N 3.5Å; K111-C113 VanDerWaalsContact C-N 3.34Å; K111-C113 PolarHBondContact O-N 3.14Å; C113-A116 PolarHBondContact O-N 2.95Å; C113-S117 PolarHBondContact O-N 2.9Å
114F94.6Very high91.5Very high1 Ų156 Ų560%0.00428%0.282CS..Hα-helixtrans-68.3-39.7179.1-58-53.7000112.3N95 G98 N99 A110 K111 A116 S117 L118 D129 L130 V133N95-F114 WeakPolarHBondContact O-CE1 3.38Å; G98-F114 VanDerWaalsContact C-CZ 3.4Å; N99-F114 WeakPolarHBondContact OD1-CZ 3.36Å; A110-F114 HydrophobicContact CB-CE2 4.15Å; A110-F114 WeakPolarHBondContact O-CD2 3.4Å; A110-F114 PolarHBondContact O-N 2.98Å; A110-F114 VanDerWaalsContact O-N 3.12Å; K111-F114 PolarHBondContact O-N 3.43Å; F114-A116 VanDerWaalsContact C-N 3.35Å; F114-A116 PolarHBondContact O-N 2.74Å; F114-S117 WeakPolarHBondContact O-CB 3.4Å; F114-S117 PolarHBondContact O-N 3.38Å; F114-L118 WeakPolarHBondContact O-CG 3.4Å; F114-L118 PolarHBondContact O-N 3.47Å; F114-D129 HydrophobicContact CD1-CB 3.79Å; F114-D129 HydrophobicContact CD2-CB 4.01Å; F114-D129 HydrophobicContact CE1-CB 3.42Å; F114-D129 VanDerWaalsContact CE1-CB 3.42Å; F114-D129 WeakPolarHBondContact CE1-OD2 3.21Å; F114-D129 HydrophobicContact CE2-CB 3.68Å; F114-D129 HydrophobicContact CG-CB 4.08Å; F114-D129 HydrophobicContact CZ-CB 3.38Å; F114-L130 HydrophobicContact CB-CB 3.98Å; F114-L130 HydrophobicContact CB-CD1 4.45Å; F114-V133 HydrophobicContact CD2-CG2 4.14Å; F114-V133 HydrophobicContact CE2-CG2 3.82Å
115E93.2Very high91.3Very high74 Ų7454.1 Ų54.135%0.34628%0.275SS..Hα-helixtrans-61.8-42.1173.1-74.7177.8153.600111.7K111 S117 L118 L119 L130K111-E115 VanDerWaalsContact CE-OE1 3.24Å; K111-E115 WeakPolarHBondContact CE-OE1 3.44Å; K111-E115 HydrophobicContact CG-CG 4.49Å; K111-E115 IonicContact NZ-OE1 3.44Å; K111-E115 PolarHBondContact NZ-OE1 2.91Å; K111-E115 IonicContact NZ-OE2 2.73Å; K111-E115 PolarHBondContact NZ-OE2 3.48Å; K111-E115 WeakPolarHBondContact O-CG 3.46Å; K111-E115 PolarHBondContact O-N 2.85Å; E115-S117 VanDerWaalsContact C-N 3.34Å; E115-S117 PolarHBondContact O-N 2.89Å; E115-L118 PolarHBondContact O-N 2.96Å; E115-L119 WeakPolarHBondContact O-CG 3.28Å; E115-L119 PolarHBondContact O-N 2.79Å; E115-L119 VanDerWaalsContact O-N 3.11Å; E115-L130 HydrophobicContact CG-CD1 4.05Å; E115-L130 HydrophobicContact CG-CD2 3.98Å
116A93.5Very high91.4Very high31 Ų3152.5 Ų52.526%0.25626%0.257SS..Hα-helixtrans-61.6-41.2174.600000112.1L94 S112 C113 F114 L118 L119 H120L94-A116 HydrophobicContact CD1-CB 3.98Å; L94-A116 HydrophobicContact CD2-CB 4.34Å; S112-A116 VanDerWaalsContact O-CB 3.3Å; S112-A116 WeakPolarHBondContact O-CB 3.34Å; S112-A116 PolarHBondContact O-N 2.86Å; C113-A116 PolarHBondContact O-N 2.95Å; F114-A116 VanDerWaalsContact C-N 3.35Å; F114-A116 PolarHBondContact O-N 2.74Å; A116-L118 PolarHBondContact O-N 2.94Å; A116-L119 WeakPolarHBondContact O-CB 3.32Å; A116-L119 PolarHBondContact O-N 2.92Å; A116-H120 PolarHBondContact O-CD2 2.77Å; A116-H120 PolarHBondContact O-N 2.9Å
117S93.7Very high91.4Very high0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-59.2-45.1175.4-177.10000111.8C91 N95 C113 F114 E115 L119 H120 K121 N123C91-S117 PolarHBondContact O-OG 2.98Å; C91-S117 VanDerWaalsContact O-OG 3.13Å; N95-S117 WeakPolarHBondContact OD1-CB 3.17Å; N95-S117 PolarHBondContact OD1-OG 3.15Å; C113-S117 PolarHBondContact O-N 2.9Å; F114-S117 WeakPolarHBondContact O-CB 3.4Å; F114-S117 PolarHBondContact O-N 3.38Å; E115-S117 VanDerWaalsContact C-N 3.34Å; E115-S117 PolarHBondContact O-N 2.89Å; S117-L119 VanDerWaalsContact C-N 3.3Å; S117-L119 PolarHBondContact O-N 2.81Å; S117-H120 PolarHBondContact O-N 3.03Å; S117-H120 VanDerWaalsContact O-N 3.12Å; S117-K121 PolarHBondContact O-N 2.88Å; S117-N123 PolarHBondContact OG-ND2 3.19Å; S117-N123 VanDerWaalsContact OG-ND2 3.14Å
118L92.6Very high91.4Very high20 Ų2051.4 Ų51.411%0.10525%0.248CC..Hα-helixtrans-67.8-24.8178.9-66173.7000114F114 E115 A116 H120 A126 L127 L130F114-L118 WeakPolarHBondContact O-CG 3.4Å; F114-L118 PolarHBondContact O-N 3.47Å; E115-L118 PolarHBondContact O-N 2.96Å; A116-L118 PolarHBondContact O-N 2.94Å; L118-H120 VanDerWaalsContact C-N 3.31Å; L118-A126 HydrophobicContact CD2-CB 3.61Å; L118-A126 HydrophobicContact CG-CB 3.81Å; L118-L127 HydrophobicContact CD1-CD2 3.87Å; L118-L127 HydrophobicContact CD2-CD2 3.63Å; L118-L127 HydrophobicContact CD2-CG 3.71Å; L118-L127 HydrophobicContact CG-CD2 4.43Å; L118-L130 HydrophobicContact CD1-CD2 3.62Å
119L91.4Very high91.3Very high155 Ų15547.3 Ų47.381%0.81223%0.233SC*.Hα-helixtrans-69.4-30.2172.7-71.7172.1000112.1E115 A116 S117E115-L119 WeakPolarHBondContact O-CG 3.28Å; E115-L119 PolarHBondContact O-N 2.79Å; E115-L119 VanDerWaalsContact O-N 3.11Å; A116-L119 WeakPolarHBondContact O-CB 3.32Å; A116-L119 PolarHBondContact O-N 2.92Å; S117-L119 VanDerWaalsContact C-N 3.3Å; S117-L119 PolarHBondContact O-N 2.81Å
120H89.7Confident91.2Very high108 Ų10844.6 Ų44.650%0.522%0.219SC..Hα-helixtrans-82.7-53176.3-71.4-74.8000112.2C91 A116 S117 L118C91-H120 WeakPolarHBondContact SG-CB 3.36Å; A116-H120 PolarHBondContact O-CD2 2.77Å; A116-H120 PolarHBondContact O-N 2.9Å; S117-H120 PolarHBondContact O-N 3.03Å; S117-H120 VanDerWaalsContact O-N 3.12Å; L118-H120 VanDerWaalsContact C-N 3.31Å
121K89.6Confident91Very high139 Ų13944.6 Ų44.660%0.60422%0.219SC*.  trans-152.7129.2178.5-174.5-177174.4-174.40110.6C91 S117 N123C91-K121 VanDerWaalsContact SG-CB 3.6Å; S117-K121 PolarHBondContact O-N 2.88Å; K121-N123 PolarHBondContact O-N 2.82Å; K121-N123 PolarHBondContact O-ND2 3.11Å
122R90.2Very high90.6Very high127 Ų12744.7 Ų44.748%0.47922%0.22SC..  trans-62.4121.4169.5-68.5-63.6-176.8132.9-6.8109.7E157 L161R122-E157 IonicContact CZ-OE1 2.84Å; R122-E157 IonicContact NE-OE1 3.55Å; R122-E157 IonicContact NH1-OE1 3.96Å; R122-E157 PolarHBondContact NH1-OE1 2.8Å; R122-E157 IonicContact NH1-OE2 3.56Å; R122-E157 PolarHBondContact NH1-OE2 3.35Å; R122-L161 HydrophobicContact CB-CD1 4.48Å
123N89.5Confident90.3Very high27 Ų2741.9 Ų41.914%0.14420%0.201CC..  trans-144.1147.7-177.666.884.5000110.4N95 S117 K121 Q125 A126 L127N95-N123 PolarHBondContact ND2-OD1 2.81Å; S117-N123 PolarHBondContact OG-ND2 3.19Å; S117-N123 VanDerWaalsContact OG-ND2 3.14Å; K121-N123 PolarHBondContact O-N 2.82Å; K121-N123 PolarHBondContact O-ND2 3.11Å; N123-Q125 PolarHBondContact O-N 2.76Å; N123-A126 PolarHBondContact O-N 3.37Å; N123-A126 WeakPolarHBondContact OD1-CB 3.48Å; N123-A126 PolarHBondContact OD1-N 3.45Å; N123-L127 WeakPolarHBondContact O-CG 3.4Å; N123-L127 PolarHBondContact O-N 2.84Å
124T87.9Confident89.9Confident27 Ų2741.9 Ų41.917%0.16620%0.2CC..Hα-helixtrans-56.9-47.9-174.4-49.90000112.2A126 L127 R128 A158 D162 D165T124-A126 PolarHBondContact O-N 3.38Å; T124-L127 PolarHBondContact O-N 3.37Å; T124-R128 WeakPolarHBondContact O-CB 3.46Å; T124-R128 PolarHBondContact O-N 2.71Å; T124-A158 HydrophobicContact CG2-CB 4.09Å; T124-D162 HydrophobicContact CG2-CB 3.76Å; T124-D162 WeakPolarHBondContact OG1-CB 3.47Å; T124-D165 HydrophobicContact CG2-CB 4.09Å
125Q87.2Confident89.3Confident60 Ų6043.2 Ų43.228%0.2821%0.205SC..Hα-helixtrans-58.2-49.7-177.8-174.47139.600112.3N95 N123 L127 R128 D129N95-Q125 HydrophobicContact CB-CG 4.06Å; N123-Q125 PolarHBondContact O-N 2.76Å; Q125-L127 PolarHBondContact O-N 2.8Å; Q125-R128 PolarHBondContact O-N 3.08Å; Q125-D129 WeakPolarHBondContact CG-OD2 3.21Å; Q125-D129 PolarHBondContact NE2-OD1 2.91Å; Q125-D129 PolarHBondContact NE2-OD2 3.18Å; Q125-D129 WeakPolarHBondContact O-CB 3.41Å; Q125-D129 PolarHBondContact O-N 3.4Å
126A90.9Very high88.7Confident0 Ų041.5 Ų41.50%020%0.198CC..Hα-helixtrans-65.1-39.1-179.300000112.4N95 L118 N123 T124 L130N95-A126 WeakPolarHBondContact OD1-CB 3.19Å; L118-A126 HydrophobicContact CD2-CB 3.61Å; L118-A126 HydrophobicContact CG-CB 3.81Å; N123-A126 PolarHBondContact O-N 3.37Å; N123-A126 WeakPolarHBondContact OD1-CB 3.48Å; N123-A126 PolarHBondContact OD1-N 3.45Å; T124-A126 PolarHBondContact O-N 3.38Å; A126-L130 WeakPolarHBondContact O-CB 3.35Å; A126-L130 PolarHBondContact O-N 3.37Å
127L91.6Very high88Confident0 Ų050.6 Ų50.60%023%0.226CC..Hα-helixtrans-64.2-45.1176.3-70.1172.6000111.2L118 N123 T124 Q125 A131 L154 E157 A158 L161L118-L127 HydrophobicContact CD1-CD2 3.87Å; L118-L127 HydrophobicContact CD2-CD2 3.63Å; L118-L127 HydrophobicContact CD2-CG 3.71Å; L118-L127 HydrophobicContact CG-CD2 4.43Å; N123-L127 WeakPolarHBondContact O-CG 3.4Å; N123-L127 PolarHBondContact O-N 2.84Å; T124-L127 PolarHBondContact O-N 3.37Å; Q125-L127 PolarHBondContact O-N 2.8Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.42Å; L127-L154 HydrophobicContact CD2-CD2 3.66Å; L127-E157 HydrophobicContact CD1-CB 4.03Å; L127-E157 HydrophobicContact CD1-CG 3.71Å; L127-A158 HydrophobicContact CB-CB 3.81Å; L127-A158 HydrophobicContact CD1-CB 4.27Å; L127-L161 HydrophobicContact CD1-CD1 3.62Å
128R87.8Confident87.3Confident52 Ų5257.2 Ų57.220%0.19625%0.251CS..Hα-helixtrans-61.7-53.6176.9176.7172.766.1-177.33.1111.6T124 Q125 L130 A131 I132 D165 F167T124-R128 WeakPolarHBondContact O-CB 3.46Å; T124-R128 PolarHBondContact O-N 2.71Å; Q125-R128 PolarHBondContact O-N 3.08Å; R128-L130 PolarHBondContact O-N 3.48Å; R128-A131 WeakPolarHBondContact O-CA 3.41Å; R128-A131 WeakPolarHBondContact O-CB 3.16Å; R128-A131 PolarHBondContact O-N 2.78Å; R128-A131 VanDerWaalsContact O-N 3.09Å; R128-I132 HydrophobicContact CG-CD1 4.25Å; R128-I132 WeakPolarHBondContact O-CG1 3.25Å; R128-I132 PolarHBondContact O-N 3.49Å; R128-D165 WeakPolarHBondContact CD-OD1 3.43Å; R128-D165 WeakPolarHBondContact CD-OD2 3.28Å; R128-D165 IonicContact CZ-OD1 2.82Å; R128-D165 IonicContact NE-OD1 3.36Å; R128-D165 IonicContact NH1-OD1 2.73Å; R128-D165 PolarHBondContact NH1-OD1 2.95Å; R128-F167 HydrophobicContact CG-CB 3.91Å; R128-F167 HydrophobicContact CG-CD1 3.75Å; R128-F167 HydrophobicContact CG-CD2 4.24Å; R128-F167 HydrophobicContact CG-CE1 4.41Å; R128-F167 HydrophobicContact CG-CG 3.68Å
129D88.8Confident86.7Confident8 Ų856.3 Ų56.34%0.04325%0.246CC..Hα-helixtrans-67-38.2-176-64.3-14.8000111.5N99 F114 Q125 A131 I132 V133N99-D129 PolarHBondContact ND2-OD2 3.17Å; N99-D129 PolarHBondContact OD1-OD2 3.46Å; F114-D129 HydrophobicContact CD1-CB 3.79Å; F114-D129 HydrophobicContact CD2-CB 4.01Å; F114-D129 HydrophobicContact CE1-CB 3.42Å; F114-D129 VanDerWaalsContact CE1-CB 3.42Å; F114-D129 WeakPolarHBondContact CE1-OD2 3.21Å; F114-D129 HydrophobicContact CE2-CB 3.68Å; F114-D129 HydrophobicContact CG-CB 4.08Å; F114-D129 HydrophobicContact CZ-CB 3.38Å; Q125-D129 WeakPolarHBondContact CG-OD2 3.21Å; Q125-D129 PolarHBondContact NE2-OD1 2.91Å; Q125-D129 PolarHBondContact NE2-OD2 3.18Å; Q125-D129 WeakPolarHBondContact O-CB 3.41Å; Q125-D129 PolarHBondContact O-N 3.4Å; D129-A131 VanDerWaalsContact C-N 3.32Å; D129-A131 PolarHBondContact O-N 3.45Å; D129-I132 WeakPolarHBondContact O-CB 3.32Å; D129-I132 PolarHBondContact O-N 3.44Å; D129-V133 VanDerWaalsContact O-CG2 3.31Å; D129-V133 WeakPolarHBondContact O-CG2 3.48Å; D129-V133 PolarHBondContact O-N 3.48Å
130L90.5Very high85.9Confident7 Ų750.3 Ų50.34%0.03722%0.217CC..Hα-helixtrans-61.3-42.4171.2-177.858.9000111.2K111 F114 E115 L118 A126 R128 I132 V133 L134 L154K111-L130 HydrophobicContact CG-CD1 3.83Å; F114-L130 HydrophobicContact CB-CB 3.98Å; F114-L130 HydrophobicContact CB-CD1 4.45Å; E115-L130 HydrophobicContact CG-CD1 4.05Å; E115-L130 HydrophobicContact CG-CD2 3.98Å; L118-L130 HydrophobicContact CD1-CD2 3.62Å; A126-L130 WeakPolarHBondContact O-CB 3.35Å; A126-L130 PolarHBondContact O-N 3.37Å; R128-L130 PolarHBondContact O-N 3.48Å; L130-I132 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 3.3Å; L130-V133 PolarHBondContact O-N 3.45Å; L130-L134 HydrophobicContact CD1-CD1 4.35Å; L130-L134 HydrophobicContact CD1-CG 4.17Å; L130-L134 HydrophobicContact CG-CD1 4.1Å; L130-L134 HydrophobicContact CG-CG 4.36Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.31Å; L130-L134 PolarHBondContact O-N 3.14Å; L130-L154 HydrophobicContact CB-CD1 4.38Å; L130-L154 HydrophobicContact CD2-CD1 3.79Å; L130-L154 HydrophobicContact CG-CD1 3.83Å
131A88Confident85.1Confident0 Ų049.3 Ų49.30%023%0.228CC..Hα-helixtrans-62.8-38.8176.400000112.2L127 R128 D129 R135 L154 T155 F167L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.42Å; R128-A131 WeakPolarHBondContact O-CA 3.41Å; R128-A131 WeakPolarHBondContact O-CB 3.16Å; R128-A131 PolarHBondContact O-N 2.78Å; R128-A131 VanDerWaalsContact O-N 3.09Å; D129-A131 VanDerWaalsContact C-N 3.32Å; D129-A131 PolarHBondContact O-N 3.45Å; A131-R135 WeakPolarHBondContact O-CD 3.35Å; A131-R135 VanDerWaalsContact O-CG 3.24Å; A131-R135 WeakPolarHBondContact O-CG 3.45Å; A131-R135 PolarHBondContact O-N 3.03Å; A131-L154 HydrophobicContact CB-CB 4.14Å; A131-T155 WeakPolarHBondContact CB-OG1 3.36Å; A131-F167 HydrophobicContact CB-CE1 4.37Å
132I84.8Confident84.5Confident31 Ų3151.5 Ų51.516%0.15923%0.232CC..Hα-helixtrans-58.3-52.9172.4-68165.9000110.1F102 R128 D129 L130 L134 R135 D136 F167F102-I132 HydrophobicContact CE2-CG2 4.31Å; F102-I132 HydrophobicContact CZ-CG2 4.27Å; R128-I132 HydrophobicContact CG-CD1 4.25Å; R128-I132 WeakPolarHBondContact O-CG1 3.25Å; R128-I132 PolarHBondContact O-N 3.49Å; D129-I132 WeakPolarHBondContact O-CB 3.32Å; D129-I132 PolarHBondContact O-N 3.44Å; L130-I132 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 3.3Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 2.7Å; I132-R135 PolarHBondContact O-N 2.87Å; I132-R135 VanDerWaalsContact O-N 3.1Å; I132-D136 PolarHBondContact O-N 3.08Å; I132-F167 HydrophobicContact CB-CZ 4.29Å; I132-F167 HydrophobicContact CD1-CD2 4.38Å; I132-F167 HydrophobicContact CD1-CE1 4.41Å; I132-F167 HydrophobicContact CD1-CE2 3.78Å; I132-F167 HydrophobicContact CD1-CZ 3.85Å; I132-F167 HydrophobicContact CG1-CD2 4.45Å; I132-F167 HydrophobicContact CG1-CE1 3.62Å; I132-F167 HydrophobicContact CG1-CE2 3.53Å; I132-F167 HydrophobicContact CG1-CZ 3.07Å
133V86.8Confident83.6Confident1 Ų149.1 Ų49.11%0.00623%0.228CC..Hα-helixtrans-61.1-40.9-177.4172.90000111.7F102 K111 F114 D129 L130 R135 D136 I139F102-V133 HydrophobicContact CD2-CG2 3.79Å; F102-V133 HydrophobicContact CE2-CG2 4.02Å; K111-V133 HydrophobicContact CB-CG1 3.81Å; F114-V133 HydrophobicContact CD2-CG2 4.14Å; F114-V133 HydrophobicContact CE2-CG2 3.82Å; D129-V133 VanDerWaalsContact O-CG2 3.31Å; D129-V133 WeakPolarHBondContact O-CG2 3.48Å; D129-V133 PolarHBondContact O-N 3.48Å; L130-V133 PolarHBondContact O-N 3.45Å; V133-R135 PolarHBondContact O-N 2.99Å; V133-D136 PolarHBondContact O-N 3.36Å; V133-I139 HydrophobicContact CG1-CD1 3.31Å
134L86.6Confident82.5Confident11 Ų1149.4 Ų49.46%0.05824%0.238CC..Hα-helixtrans-66.6-21.9178.1-70.3177.4000113.9K111 L130 I132 I139 L154K111-L134 HydrophobicContact CD-CD2 4.36Å; L130-L134 HydrophobicContact CD1-CD1 4.35Å; L130-L134 HydrophobicContact CD1-CG 4.17Å; L130-L134 HydrophobicContact CG-CD1 4.1Å; L130-L134 HydrophobicContact CG-CG 4.36Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.31Å; L130-L134 PolarHBondContact O-N 3.14Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 2.7Å; L134-I139 HydrophobicContact CD2-CG2 4.36Å; L134-L154 HydrophobicContact CD1-CD1 3.62Å
135R80.5Confident81.4Confident30 Ų3052.8 Ų52.811%0.11326%0.263CS..Hα-helixtrans-89.2-13.1177.9-68.8168-174.4160.121.6113.6A131 I132 V133 R137 S151 T155 I174A131-R135 WeakPolarHBondContact O-CD 3.35Å; A131-R135 VanDerWaalsContact O-CG 3.24Å; A131-R135 WeakPolarHBondContact O-CG 3.45Å; A131-R135 PolarHBondContact O-N 3.03Å; I132-R135 PolarHBondContact O-N 2.87Å; I132-R135 VanDerWaalsContact O-N 3.1Å; V133-R135 PolarHBondContact O-N 2.99Å; R135-R137 PolarHBondContact O-N 2.79Å; R135-S151 WeakPolarHBondContact CG-OG 3.33Å; R135-S151 PolarHBondContact NE-OG 2.73Å; R135-S151 PolarHBondContact NH2-O 2.91Å; R135-T155 PolarHBondContact NH2-OG1 3.45Å; R135-I174 HydrophobicContact CB-CD1 4.38Å; R135-I174 HydrophobicContact CG-CD1 4.36Å; R135-I174 HydrophobicContact CG-CG2 4.49Å
136D81.5Confident80.5Confident38 Ų3857.8 Ų57.820%0.20328%0.283CS..SBendtrans-61132.2175.2-172-66.5000110L107 I132 V133 R138 I139 S140L107-D136 HydrophobicContact CD1-CB 3.8Å; L107-D136 WeakPolarHBondContact CD1-OD1 3.43Å; I132-D136 PolarHBondContact O-N 3.08Å; V133-D136 PolarHBondContact O-N 3.36Å; D136-R138 PolarHBondContact O-N 3.37Å; D136-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 VanDerWaalsContact OD1-CB 3.25Å; D136-R138 WeakPolarHBondContact OD1-CB 3.44Å; D136-R138 WeakPolarHBondContact OD1-CG 3.46Å; D136-R138 IonicContact OD1-CZ 3.28Å; D136-R138 PolarHBondContact OD1-N 3.06Å; D136-R138 IonicContact OD1-NE 2.89Å; D136-R138 PolarHBondContact OD1-NE 3.18Å; D136-R138 IonicContact OD1-NH2 3.46Å; D136-R138 IonicContact OD2-CZ 2.81Å; D136-R138 IonicContact OD2-NE 3.71Å; D136-R138 PolarHBondContact OD2-NE 2.8Å; D136-R138 IonicContact OD2-NH2 2.65Å; D136-R138 PolarHBondContact OD2-NH2 3.04Å; D136-I139 PolarHBondContact O-N 3.08Å; D136-S140 WeakPolarHBondContact O-CB 3.43Å; D136-S140 PolarHBondContact O-N 3.46Å
137R77.8Confident79.6Confident222 Ų22258.7 Ų58.784%0.83829%0.288SS*.Hα-helixtrans-54.9-34.3-176.9-70.6-175.6176.2-171.7-1.4112.6R135 I139 A141R135-R137 PolarHBondContact O-N 2.79Å; R137-I139 VanDerWaalsContact C-N 3.3Å; R137-I139 PolarHBondContact O-N 3.19Å; R137-A141 WeakPolarHBondContact O-CB 3.36Å; R137-A141 PolarHBondContact O-N 2.61Å
138R80Confident78.5Confident139 Ų13959.1 Ų59.153%0.52529%0.291SS..Hα-helixtrans-66-32.1-179.7-64170.7-75.3179-5.5112.3L107 D136L107-R138 HydrophobicContact CD1-CB 4.04Å; L107-R138 VanDerWaalsContact CD1-CZ 3.46Å; D136-R138 PolarHBondContact O-N 3.37Å; D136-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 VanDerWaalsContact OD1-CB 3.25Å; D136-R138 WeakPolarHBondContact OD1-CB 3.44Å; D136-R138 WeakPolarHBondContact OD1-CG 3.46Å; D136-R138 IonicContact OD1-CZ 3.28Å; D136-R138 PolarHBondContact OD1-N 3.06Å; D136-R138 IonicContact OD1-NE 2.89Å; D136-R138 PolarHBondContact OD1-NE 3.18Å; D136-R138 IonicContact OD1-NH2 3.46Å; D136-R138 IonicContact OD2-CZ 2.81Å; D136-R138 IonicContact OD2-NE 3.71Å; D136-R138 PolarHBondContact OD2-NE 2.8Å; D136-R138 IonicContact OD2-NH2 2.65Å; D136-R138 PolarHBondContact OD2-NH2 3.04Å
139I80.3Confident77.7Confident0 Ų063.3 Ų63.30%031%0.311CS..Hα-helixtrans-87.7-46.8176.5-72.9-176.1000110.7L107 W108 V133 L134 D136 R137 A141 R142 L143L107-I139 HydrophobicContact CB-CD1 3.53Å; L107-I139 HydrophobicContact CB-CG1 4.12Å; L107-I139 HydrophobicContact CD1-CD1 4.12Å; L107-I139 HydrophobicContact CD1-CG1 4.06Å; W108-I139 HydrophobicContact CZ2-CG1 4.45Å; V133-I139 HydrophobicContact CG1-CD1 3.31Å; L134-I139 HydrophobicContact CD2-CG2 4.36Å; D136-I139 PolarHBondContact O-N 3.08Å; R137-I139 VanDerWaalsContact C-N 3.3Å; R137-I139 PolarHBondContact O-N 3.19Å; I139-A141 VanDerWaalsContact C-N 3.28Å; I139-A141 PolarHBondContact O-N 2.97Å; I139-R142 PolarHBondContact O-N 3.47Å; I139-L143 HydrophobicContact CG2-CD1 3.69Å; I139-L143 PolarHBondContact O-N 3.42Å; I139-L143 VanDerWaalsContact O-N 3.1Å
140S74.7Confident77.3Confident29 Ų2967.1 Ų67.120%0.20333%0.331CS..Hα-helixtrans-58.5-39.1-179.6-175.90000112.2D136 R142 L143 G144D136-S140 WeakPolarHBondContact O-CB 3.43Å; D136-S140 PolarHBondContact O-N 3.46Å; S140-R142 VanDerWaalsContact C-N 3.27Å; S140-R142 PolarHBondContact O-N 2.97Å; S140-L143 PolarHBondContact O-N 3.4Å; S140-G144 PolarHBondContact O-N 2.91Å
141A73.3Confident77Confident88 Ų8866.8 Ų66.873%0.72733%0.329SS*.Hα-helixtrans-62.3-29.4176.300000113.9R137 I139R137-A141 WeakPolarHBondContact O-CB 3.36Å; R137-A141 PolarHBondContact O-N 2.61Å; I139-A141 VanDerWaalsContact C-N 3.28Å; I139-A141 PolarHBondContact O-N 2.97Å
142R75Confident76.8Confident185 Ų18567.5 Ų67.570%0.69833%0.333SS*.Hα-helixtrans-89.2-33.1-179.4-77.5179.2173.7-176.35113.4W108 I139 S140W108-R142 HydrophobicContact CZ2-CB 4.29Å; I139-R142 PolarHBondContact O-N 3.47Å; S140-R142 VanDerWaalsContact C-N 3.27Å; S140-R142 PolarHBondContact O-N 2.97Å
143L71.8Confident77Confident76 Ų7668.7 Ų68.740%0.39835%0.348SS..Hα-helixtrans-101.8-9.5-173.7-66.1170.1000113.7W108 I139 S140 N147W108-L143 HydrophobicContact CH2-CD1 3.85Å; W108-L143 HydrophobicContact CH2-CD2 4.33Å; W108-L143 HydrophobicContact CH2-CG 4.05Å; W108-L143 HydrophobicContact CZ3-CD1 4.14Å; I139-L143 HydrophobicContact CG2-CD1 3.69Å; I139-L143 PolarHBondContact O-N 3.42Å; I139-L143 VanDerWaalsContact O-N 3.1Å; S140-L143 PolarHBondContact O-N 3.4Å; L143-N147 WeakPolarHBondContact CB-ND2 3.47Å; L143-N147 WeakPolarHBondContact CD1-ND2 3.27Å
144G66.8Low77.2Confident33 Ų3369.9 Ų69.934%0.3435%0.354SS..  trans80.8175.5174.900000114.6S140 K146 N147S140-G144 PolarHBondContact O-N 2.91Å; G144-K146 PolarHBondContact O-N 3.17Å; G144-K146 VanDerWaalsContact O-N 3.1Å; G144-N147 PolarHBondContact O-N 2.95Å
145S63.9Low77.2Confident99 Ų9969.4 Ų69.469%0.69235%0.351SS*.THydrogen-bonded Turntrans-61.4-21.3-172.961.70000115N147 V148S145-N147 PolarHBondContact O-N 3.49Å; S145-V148 PolarHBondContact O-N 2.95Å; S145-V148 VanDerWaalsContact O-N 3.16Å
146K69.4Low77.6Confident164 Ų16473.1 Ų73.171%0.71337%0.365SS*.Hα-helixtrans-56.5-31.4175.9-73-175.9177.7179.80112.2G144 V148 K149 N150G144-K146 PolarHBondContact O-N 3.17Å; G144-K146 VanDerWaalsContact O-N 3.1Å; K146-V148 PolarHBondContact O-N 3.34Å; K146-K149 PolarHBondContact O-N 3.49Å; K146-N150 PolarHBondContact O-N 3.43Å; K146-N150 VanDerWaalsContact O-N 3.12Å
147N71.6Confident78Confident20 Ų2074.4 Ų74.411%0.10737%0.37CS..Hα-helixtrans-71.8-28.4-179-83.813.9000114.4L143 G144 S145 K149 N150 S151L143-N147 WeakPolarHBondContact CB-ND2 3.47Å; L143-N147 WeakPolarHBondContact CD1-ND2 3.27Å; G144-N147 PolarHBondContact O-N 2.95Å; S145-N147 PolarHBondContact O-N 3.49Å; N147-K149 VanDerWaalsContact C-N 3.35Å; N147-N150 PolarHBondContact O-N 2.79Å; N147-S151 WeakPolarHBondContact O-CB 3.47Å; N147-S151 PolarHBondContact O-N 3.31Å
148V68.1Low78.4Confident8 Ų863.8 Ų63.85%0.04833%0.33CS..Hα-helixtrans-64.1-46.2174.8179.80000109.4S145 K146 N150 S151 L152 I174 E175 N178S145-V148 PolarHBondContact O-N 2.95Å; S145-V148 VanDerWaalsContact O-N 3.16Å; K146-V148 PolarHBondContact O-N 3.34Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-N150 PolarHBondContact O-N 3.08Å; V148-S151 WeakPolarHBondContact O-CA 3.24Å; V148-S151 WeakPolarHBondContact O-CB 3.28Å; V148-S151 PolarHBondContact O-N 2.82Å; V148-S151 PolarHBondContact O-OG 3.46Å; V148-L152 PolarHBondContact O-N 3.39Å; V148-L152 VanDerWaalsContact O-N 3.07Å; V148-I174 HydrophobicContact CG1-CG2 4.1Å; V148-E175 WeakPolarHBondContact CG1-OE2 3.49Å; V148-N178 HydrophobicContact CG1-CB 4.34Å; V148-N178 VanDerWaalsContact CG1-ND2 3.26Å; V148-N178 WeakPolarHBondContact CG1-ND2 3.3Å
149K71.7Confident78.7Confident141 Ų14160.2 Ų60.261%0.61332%0.317SS*.Hα-helixtrans-61.3-41.3176.1-66.7-170.8175.4-1720112.3K146 N147 S151 L152 A153K146-K149 PolarHBondContact O-N 3.49Å; N147-K149 VanDerWaalsContact C-N 3.35Å; K149-S151 VanDerWaalsContact C-N 3.29Å; K149-S151 PolarHBondContact O-N 2.82Å; K149-L152 PolarHBondContact O-N 3.02Å; K149-A153 PolarHBondContact O-N 2.71Å; K149-A153 VanDerWaalsContact O-N 3.14Å
150N80.1Confident79Confident87 Ų8765.1 Ų65.147%0.46535%0.35SS..Hα-helixtrans-61.6-39.6173.5-66.9-12.8000111.4K146 N147 V148 L152 A153 L154K146-N150 PolarHBondContact O-N 3.43Å; K146-N150 VanDerWaalsContact O-N 3.12Å; N147-N150 PolarHBondContact O-N 2.79Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-N150 PolarHBondContact O-N 3.08Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 2.84Å; N150-A153 PolarHBondContact O-N 2.95Å; N150-L154 WeakPolarHBondContact O-CG 3.09Å; N150-L154 PolarHBondContact O-N 2.67Å
151S83.6Confident79.5Confident1 Ų168 Ų681%0.00736%0.363CS..Hα-helixtrans-63.7-36.7178.182.80000112.5R135 N147 V148 K149 T155R135-S151 WeakPolarHBondContact CG-OG 3.33Å; R135-S151 PolarHBondContact NE-OG 2.73Å; R135-S151 PolarHBondContact NH2-O 2.91Å; N147-S151 WeakPolarHBondContact O-CB 3.47Å; N147-S151 PolarHBondContact O-N 3.31Å; V148-S151 WeakPolarHBondContact O-CA 3.24Å; V148-S151 WeakPolarHBondContact O-CB 3.28Å; V148-S151 PolarHBondContact O-N 2.82Å; V148-S151 PolarHBondContact O-OG 3.46Å; K149-S151 VanDerWaalsContact C-N 3.29Å; K149-S151 PolarHBondContact O-N 2.82Å; S151-T155 PolarHBondContact O-N 2.96Å; S151-T155 VanDerWaalsContact O-N 3.09Å; S151-T155 PolarHBondContact O-OG1 2.95Å; S151-T155 VanDerWaalsContact O-OG1 3.09Å
152L85.6Confident79.8Confident14 Ų1467 Ų677%0.07335%0.346CS..Hα-helixtrans-68.2-40.6175.7179.361.8000111V148 K149 N150 L154 T155 R156 L168 A171 L172 E175V148-L152 PolarHBondContact O-N 3.39Å; V148-L152 VanDerWaalsContact O-N 3.07Å; K149-L152 PolarHBondContact O-N 3.02Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 2.84Å; L152-L154 PolarHBondContact O-N 3.48Å; L152-T155 PolarHBondContact O-N 2.85Å; L152-R156 HydrophobicContact CD1-CG 4.46Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 2.79Å; L152-L168 HydrophobicContact CD1-CD1 4.11Å; L152-A171 HydrophobicContact CD1-CB 3.65Å; L152-L172 HydrophobicContact CD1-CD2 3.92Å; L152-L172 HydrophobicContact CD1-CG 4.35Å; L152-E175 HydrophobicContact CD2-CB 4.15Å; L152-E175 HydrophobicContact CD2-CG 3.95Å
153A88.4Confident79.8Confident57 Ų5762 Ų6247%0.47134%0.337SS..Hα-helixtrans-60.9-43.6175.100000111.9K149 N150 T155 R156 E157K149-A153 PolarHBondContact O-N 2.71Å; K149-A153 VanDerWaalsContact O-N 3.14Å; N150-A153 PolarHBondContact O-N 2.95Å; A153-T155 PolarHBondContact O-N 2.9Å; A153-R156 PolarHBondContact O-N 3Å; A153-E157 WeakPolarHBondContact O-CB 3.11Å; A153-E157 PolarHBondContact O-N 2.95Å
154L90Very high79.5Confident26 Ų2663.6 Ų63.614%0.13634%0.342CS..Hα-helixtrans-62.8-41.2176.2-68.2172.5000112.4L127 L130 A131 L134 N150 L152 E157 A158L127-L154 HydrophobicContact CD2-CD2 3.66Å; L130-L154 HydrophobicContact CB-CD1 4.38Å; L130-L154 HydrophobicContact CD2-CD1 3.79Å; L130-L154 HydrophobicContact CG-CD1 3.83Å; A131-L154 HydrophobicContact CB-CB 4.14Å; L134-L154 HydrophobicContact CD1-CD1 3.62Å; N150-L154 WeakPolarHBondContact O-CG 3.09Å; N150-L154 PolarHBondContact O-N 2.67Å; L152-L154 PolarHBondContact O-N 3.48Å; L154-E157 PolarHBondContact O-N 2.8Å; L154-A158 WeakPolarHBondContact O-CB 3.36Å; L154-A158 PolarHBondContact O-N 2.78Å
155T86.7Confident79.4Confident1 Ų162.6 Ų62.61%0.00633%0.329CS..Hα-helixtrans-71.4-35177.6-52.30000112.6A131 R135 S151 L152 A153 E157 A158 Y159 F167 L168 A171A131-T155 WeakPolarHBondContact CB-OG1 3.36Å; R135-T155 PolarHBondContact NH2-OG1 3.45Å; S151-T155 PolarHBondContact O-N 2.96Å; S151-T155 VanDerWaalsContact O-N 3.09Å; S151-T155 PolarHBondContact O-OG1 2.95Å; S151-T155 VanDerWaalsContact O-OG1 3.09Å; L152-T155 PolarHBondContact O-N 2.85Å; A153-T155 PolarHBondContact O-N 2.9Å; T155-E157 VanDerWaalsContact C-N 3.32Å; T155-A158 PolarHBondContact O-N 3.3Å; T155-Y159 WeakPolarHBondContact O-CB 3.48Å; T155-Y159 PolarHBondContact O-N 3.43Å; T155-F167 HydrophobicContact CG2-CB 4.31Å; T155-F167 HydrophobicContact CG2-CD1 3.73Å; T155-F167 HydrophobicContact CG2-CG 4.48Å; T155-L168 VanDerWaalsContact CG2-CA 3.44Å; T155-L168 HydrophobicContact CG2-CB 3.98Å; T155-L168 HydrophobicContact CG2-CD1 3.95Å; T155-A171 HydrophobicContact CG2-CB 4.07Å
156R89.6Confident79.5Confident107 Ų10758.4 Ų58.440%0.40430%0.299SS..Hα-helixtrans-63.4-40.6171.1-76.8-179.5170.7154.1-0.9111.5L152 A153 Y159 C160 L168 E189L152-R156 HydrophobicContact CD1-CG 4.46Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 2.79Å; A153-R156 PolarHBondContact O-N 3Å; R156-Y159 PolarHBondContact O-N 3.36Å; R156-C160 PolarHBondContact O-N 3.35Å; R156-C160 PolarHBondContact O-SG 2.81Å; R156-L168 HydrophobicContact CG-CD1 3.76Å; R156-E189 IonicContact NH2-OE2 3.48Å
157E89.5Confident79.6Confident65 Ų6551.6 Ų51.630%0.30427%0.269SS..Hα-helixtrans-63.1-43.7173.9-169.4-173.3151.300111.4R122 L127 A153 L154 T155 Y159 C160 L161R122-E157 IonicContact CZ-OE1 2.84Å; R122-E157 IonicContact NE-OE1 3.55Å; R122-E157 IonicContact NH1-OE1 3.96Å; R122-E157 PolarHBondContact NH1-OE1 2.8Å; R122-E157 IonicContact NH1-OE2 3.56Å; R122-E157 PolarHBondContact NH1-OE2 3.35Å; L127-E157 HydrophobicContact CD1-CB 4.03Å; L127-E157 HydrophobicContact CD1-CG 3.71Å; A153-E157 WeakPolarHBondContact O-CB 3.11Å; A153-E157 PolarHBondContact O-N 2.95Å; L154-E157 PolarHBondContact O-N 2.8Å; T155-E157 VanDerWaalsContact C-N 3.32Å; E157-Y159 PolarHBondContact O-N 3.43Å; E157-C160 PolarHBondContact O-N 2.79Å; E157-L161 PolarHBondContact O-N 2.84Å; E157-L161 VanDerWaalsContact O-N 3.11Å
158A87.1Confident80Confident0 Ų050.8 Ų50.80%027%0.265CS..Hα-helixtrans-57.7-47.6175.400000111.4T124 L127 L154 T155 C160 L161 D162T124-A158 HydrophobicContact CG2-CB 4.09Å; L127-A158 HydrophobicContact CB-CB 3.81Å; L127-A158 HydrophobicContact CD1-CB 4.27Å; L154-A158 WeakPolarHBondContact O-CB 3.36Å; L154-A158 PolarHBondContact O-N 2.78Å; T155-A158 PolarHBondContact O-N 3.3Å; A158-C160 VanDerWaalsContact C-N 3.32Å; A158-C160 PolarHBondContact O-N 3.23Å; A158-L161 WeakPolarHBondContact O-CB 3.42Å; A158-L161 PolarHBondContact O-N 3.05Å; A158-D162 PolarHBondContact O-N 3.44Å
159Y84.9Confident80.5Confident63 Ų6350.4 Ų50.425%0.24726%0.263CS..Hα-helixtrans-62.3-36.2176.4-179.2-95.5000112.9T155 R156 E157 L161 D162 P163 L168 F193T155-Y159 WeakPolarHBondContact O-CB 3.48Å; T155-Y159 PolarHBondContact O-N 3.43Å; R156-Y159 PolarHBondContact O-N 3.36Å; E157-Y159 PolarHBondContact O-N 3.43Å; Y159-L161 VanDerWaalsContact C-N 3.26Å; Y159-L161 PolarHBondContact O-N 3.13Å; Y159-D162 CarbonylContact O-C 3.22Å; Y159-D162 PolarHBondContact O-N 3.29Å; Y159-P163 HydrophobicContact CE2-CB 4.17Å; Y159-P163 WeakPolarHBondContact CE2-O 3.4Å; Y159-P163 WeakPolarHBondContact O-CA 3.41Å; Y159-P163 VanDerWaalsContact O-N 3.17Å; Y159-L168 HydrophobicContact CD1-CD2 4.13Å; Y159-L168 HydrophobicContact CD2-CD2 4.24Å; Y159-L168 HydrophobicContact CG-CD2 3.84Å; Y159-F193 HydrophobicContact CD2-CE1 4.22Å; Y159-F193 HydrophobicContact CE1-CE1 4.02Å; Y159-F193 HydrophobicContact CE1-CZ 4.49Å; Y159-F193 HydrophobicContact CE2-CD1 4.02Å; Y159-F193 AromaticContact CE2-CE1 3.64Å; Y159-F193 HydrophobicContact CE2-CE1 3.64Å; Y159-F193 AromaticContact CZ-CE1 3.54Å
160C86.8Confident80.8Confident104 Ų10443.9 Ų43.970%0.70324%0.235SC*.Hα-helixtrans-67.1-26.5173.9-70.70000113.2R156 E157 A158R156-C160 PolarHBondContact O-N 3.35Å; R156-C160 PolarHBondContact O-SG 2.81Å; E157-C160 PolarHBondContact O-N 2.79Å; A158-C160 VanDerWaalsContact C-N 3.32Å; A158-C160 PolarHBondContact O-N 3.23Å
161L86.3Confident80.9Confident90 Ų9039.8 Ų39.847%0.47121%0.213SC..Hα-helixtrans-82.1-36.4174.6-66.4179.4000112.2R122 L127 E157 A158 Y159R122-L161 HydrophobicContact CB-CD1 4.48Å; L127-L161 HydrophobicContact CD1-CD1 3.62Å; E157-L161 PolarHBondContact O-N 2.84Å; E157-L161 VanDerWaalsContact O-N 3.11Å; A158-L161 WeakPolarHBondContact O-CB 3.42Å; A158-L161 PolarHBondContact O-N 3.05Å; Y159-L161 VanDerWaalsContact C-N 3.26Å; Y159-L161 PolarHBondContact O-N 3.13Å
162D79.4Confident80.9Confident67 Ų6739.8 Ų39.836%0.35821%0.212SC..  trans-143.696.4179.1-172.72.8000110.9T124 A158 Y159 E164 D165T124-D162 HydrophobicContact CG2-CB 3.76Å; T124-D162 WeakPolarHBondContact OG1-CB 3.47Å; A158-D162 PolarHBondContact O-N 3.44Å; Y159-D162 CarbonylContact O-C 3.22Å; Y159-D162 PolarHBondContact O-N 3.29Å; D162-E164 PolarHBondContact O-N 3.09Å; D162-E164 VanDerWaalsContact O-N 3.15Å; D162-E164 PolarHBondContact OD1-N 3.21Å; D162-D165 WeakPolarHBondContact O-CB 3.4Å; D162-D165 PolarHBondContact O-N 3.25Å; D162-D165 VanDerWaalsContact O-N 3.14Å
163P75.4Confident80.8Confident79 Ų7939.4 Ų39.451%0.51321%0.21SC..THydrogen-bonded Turntrans-65.6-10.4-178.9-23.834.8000115.1Y159 D165Y159-P163 HydrophobicContact CE2-CB 4.17Å; Y159-P163 WeakPolarHBondContact CE2-O 3.4Å; Y159-P163 WeakPolarHBondContact O-CA 3.41Å; Y159-P163 VanDerWaalsContact O-N 3.17Å; P163-D165 VanDerWaalsContact C-N 3.3Å
164E64.7Low80.4Confident109 Ų10939.6 Ų39.651%0.50920%0.203SC..THydrogen-bonded Turntrans-81.3-11175.5-62.7-71.713900112.2D162 D166 S200D162-E164 PolarHBondContact O-N 3.09Å; D162-E164 VanDerWaalsContact O-N 3.15Å; D162-E164 PolarHBondContact OD1-N 3.21Å; E164-D166 PolarHBondContact O-N 3.27Å; E164-S200 WeakPolarHBondContact OE2-CB 2.99Å; E164-S200 PolarHBondContact OE2-OG 3.47Å
165D64.9Low80Confident12 Ų1239.8 Ų39.86%0.06420%0.203CC..  trans-72.1120.9179.1-170.320.4000111.8T124 R128 D162 P163 F167T124-D165 HydrophobicContact CG2-CB 4.09Å; R128-D165 WeakPolarHBondContact CD-OD1 3.43Å; R128-D165 WeakPolarHBondContact CD-OD2 3.28Å; R128-D165 IonicContact CZ-OD1 2.82Å; R128-D165 IonicContact NE-OD1 3.36Å; R128-D165 IonicContact NH1-OD1 2.73Å; R128-D165 PolarHBondContact NH1-OD1 2.95Å; D162-D165 WeakPolarHBondContact O-CB 3.4Å; D162-D165 PolarHBondContact O-N 3.25Å; D162-D165 VanDerWaalsContact O-N 3.14Å; P163-D165 VanDerWaalsContact C-N 3.3Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.42Å
166D64.9Low79.8Confident11 Ų1140.3 Ų40.36%0.05921%0.205CC..THydrogen-bonded Turntrans-83.7-4.2-17270.5-12000114.5E164 L168 G169 A197 L209E164-D166 PolarHBondContact O-N 3.27Å; D166-L168 PolarHBondContact O-N 3Å; D166-G169 PolarHBondContact O-N 2.87Å; D166-A197 HydrophobicContact CB-CB 3.2Å; D166-L209 WeakPolarHBondContact OD1-CD1 3.36Å; D166-L209 WeakPolarHBondContact OD2-CD1 3.37Å; D166-L209 VanDerWaalsContact OD2-CD2 3.24Å; D166-L209 WeakPolarHBondContact OD2-CD2 3.32Å
167F72.6Confident79.3Confident21 Ų2138.6 Ų38.69%0.09220%0.201CC..THydrogen-bonded Turntrans-71.5-16.1-167.2-163.9-105.9000114.2R128 A131 I132 T155 D165 G169 N170 A171R128-F167 HydrophobicContact CG-CB 3.91Å; R128-F167 HydrophobicContact CG-CD1 3.75Å; R128-F167 HydrophobicContact CG-CD2 4.24Å; R128-F167 HydrophobicContact CG-CE1 4.41Å; R128-F167 HydrophobicContact CG-CG 3.68Å; A131-F167 HydrophobicContact CB-CE1 4.37Å; I132-F167 HydrophobicContact CB-CZ 4.29Å; I132-F167 HydrophobicContact CD1-CD2 4.38Å; I132-F167 HydrophobicContact CD1-CE1 4.41Å; I132-F167 HydrophobicContact CD1-CE2 3.78Å; I132-F167 HydrophobicContact CD1-CZ 3.85Å; I132-F167 HydrophobicContact CG1-CD2 4.45Å; I132-F167 HydrophobicContact CG1-CE1 3.62Å; I132-F167 HydrophobicContact CG1-CE2 3.53Å; I132-F167 HydrophobicContact CG1-CZ 3.07Å; T155-F167 HydrophobicContact CG2-CB 4.31Å; T155-F167 HydrophobicContact CG2-CD1 3.73Å; T155-F167 HydrophobicContact CG2-CG 4.48Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.42Å; F167-G169 VanDerWaalsContact C-N 3.3Å; F167-G169 PolarHBondContact O-N 2.86Å; F167-N170 HydrophobicContact CD2-CB 4.48Å; F167-N170 HydrophobicContact CE2-CB 4.18Å; F167-N170 HydrophobicContact CZ-CB 4.39Å; F167-N170 PolarHBondContact O-N 2.78Å; F167-A171 PolarHBondContact O-N 2.92Å
168L80.1Confident78.9Confident4 Ų440 Ų402%0.02121%0.21CC..Hα-helixtrans-62.3-34.5-179.9-173.954.8000112.9L152 T155 R156 Y159 D166 N170 A171 L172 F193L152-L168 HydrophobicContact CD1-CD1 4.11Å; T155-L168 VanDerWaalsContact CG2-CA 3.44Å; T155-L168 HydrophobicContact CG2-CB 3.98Å; T155-L168 HydrophobicContact CG2-CD1 3.95Å; R156-L168 HydrophobicContact CG-CD1 3.76Å; Y159-L168 HydrophobicContact CD1-CD2 4.13Å; Y159-L168 HydrophobicContact CD2-CD2 4.24Å; Y159-L168 HydrophobicContact CG-CD2 3.84Å; D166-L168 PolarHBondContact O-N 3Å; L168-N170 VanDerWaalsContact C-N 3.31Å; L168-N170 PolarHBondContact O-N 3.49Å; L168-A171 HydrophobicContact CD1-CB 4.26Å; L168-A171 VanDerWaalsContact O-CB 3.28Å; L168-A171 WeakPolarHBondContact O-CB 3.44Å; L168-A171 PolarHBondContact O-N 2.64Å; L168-A171 VanDerWaalsContact O-N 3.13Å; L168-L172 HydrophobicContact CD1-CG 4.33Å; L168-L172 HydrophobicContact CG-CD1 4.1Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 WeakPolarHBondContact O-CG 3.17Å; L168-L172 PolarHBondContact O-N 2.81Å; L168-L172 VanDerWaalsContact O-N 3.09Å; L168-F193 HydrophobicContact CB-CD2 4.44Å; L168-F193 HydrophobicContact CB-CG 4.36Å; L168-F193 HydrophobicContact CD2-CD1 4.21Å; L168-F193 HydrophobicContact CD2-CD2 4.02Å; L168-F193 HydrophobicContact CD2-CE1 3.72Å; L168-F193 HydrophobicContact CD2-CE2 3.44Å; L168-F193 VanDerWaalsContact CD2-CE2 3.44Å; L168-F193 HydrophobicContact CD2-CG 4.37Å; L168-F193 HydrophobicContact CD2-CZ 3.31Å; L168-F193 HydrophobicContact CG-CD2 3.97Å; L168-F193 HydrophobicContact CG-CE2 3.85Å; L168-F193 HydrophobicContact CG-CG 4.36Å; L168-F193 HydrophobicContact CG-CZ 4.18Å
169G78.2Confident78.4Confident0 Ų041.8 Ų41.80%022%0.223CC..Hα-helixtrans-57.8-43.3175.500000112.5D166 F167 A171 L172 M173 Y194D166-G169 PolarHBondContact O-N 2.87Å; F167-G169 VanDerWaalsContact C-N 3.3Å; F167-G169 PolarHBondContact O-N 2.86Å; G169-A171 VanDerWaalsContact C-N 3.29Å; G169-A171 PolarHBondContact O-N 3.25Å; G169-L172 PolarHBondContact O-N 3.08Å; G169-M173 PolarHBondContact O-N 2.85Å; G169-Y194 PolarHBondContact O-OH 2.82Å; G169-Y194 VanDerWaalsContact O-OH 3.13Å
170N77.5Confident77.8Confident4 Ų442.1 Ų42.12%0.02124%0.235CC..Hα-helixtrans-66-34.2179.6-65.5-30000112F167 L168 I174 Y194 T217 S220F167-N170 HydrophobicContact CD2-CB 4.48Å; F167-N170 HydrophobicContact CE2-CB 4.18Å; F167-N170 HydrophobicContact CZ-CB 4.39Å; F167-N170 PolarHBondContact O-N 2.78Å; L168-N170 VanDerWaalsContact C-N 3.31Å; L168-N170 PolarHBondContact O-N 3.49Å; N170-I174 WeakPolarHBondContact O-CD1 3.39Å; N170-I174 WeakPolarHBondContact O-CG1 3.16Å; N170-I174 PolarHBondContact O-N 3.49Å; N170-Y194 WeakPolarHBondContact CA-OH 2.97Å; N170-Y194 PolarHBondContact N-OH 3.05Å; N170-Y194 VanDerWaalsContact OD1-CE1 3.3Å; N170-Y194 WeakPolarHBondContact OD1-CE1 3.43Å; N170-Y194 PolarHBondContact OD1-OH 3.28Å; N170-T217 PolarHBondContact ND2-OG1 2.82Å; N170-S220 VanDerWaalsContact OD1-CB 3.23Å; N170-S220 WeakPolarHBondContact OD1-CB 2.95Å; N170-S220 PolarHBondContact OD1-OG 3.05Å
171A82.1Confident77.4Confident1 Ų140 Ų401%0.00822%0.215CC..Hα-helixtrans-63.2-47.7175.200000112.4L152 T155 F167 L168 G169 I174 E175L152-A171 HydrophobicContact CD1-CB 3.65Å; T155-A171 HydrophobicContact CG2-CB 4.07Å; F167-A171 PolarHBondContact O-N 2.92Å; L168-A171 HydrophobicContact CD1-CB 4.26Å; L168-A171 VanDerWaalsContact O-CB 3.28Å; L168-A171 WeakPolarHBondContact O-CB 3.44Å; L168-A171 PolarHBondContact O-N 2.64Å; L168-A171 VanDerWaalsContact O-N 3.13Å; G169-A171 VanDerWaalsContact C-N 3.29Å; G169-A171 PolarHBondContact O-N 3.25Å; A171-I174 PolarHBondContact O-N 3.46Å; A171-E175 PolarHBondContact O-N 3.25Å
172L84.7Confident76.6Confident0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-65.8-41.6-177.9-67.2166000111.3L152 L168 G169 I174 E175 F176 L186 E189 A190 F193L152-L172 HydrophobicContact CD1-CD2 3.92Å; L152-L172 HydrophobicContact CD1-CG 4.35Å; L168-L172 HydrophobicContact CD1-CG 4.33Å; L168-L172 HydrophobicContact CG-CD1 4.1Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 WeakPolarHBondContact O-CG 3.17Å; L168-L172 PolarHBondContact O-N 2.81Å; L168-L172 VanDerWaalsContact O-N 3.09Å; G169-L172 PolarHBondContact O-N 3.08Å; L172-I174 VanDerWaalsContact C-N 3.33Å; L172-I174 PolarHBondContact O-N 3.26Å; L172-E175 PolarHBondContact O-N 2.78Å; L172-F176 WeakPolarHBondContact O-CB 3.46Å; L172-F176 PolarHBondContact O-N 3.46Å; L172-L186 HydrophobicContact CD2-CD2 3.74Å; L172-E189 HydrophobicContact CD1-CB 3.95Å; L172-E189 HydrophobicContact CD1-CG 3.55Å; L172-E189 HydrophobicContact CD2-CG 4.47Å; L172-E189 WeakPolarHBondContact CD2-OE2 3.48Å; L172-A190 HydrophobicContact CB-CB 3.94Å; L172-A190 HydrophobicContact CD1-CB 4.44Å; L172-F193 HydrophobicContact CD1-CD2 3.44Å; L172-F193 VanDerWaalsContact CD1-CD2 3.44Å; L172-F193 HydrophobicContact CD1-CE2 3.73Å
173M82.7Confident76.3Confident6 Ų638.3 Ų38.33%0.0321%0.211CC..Hα-helixtrans-61.7-40.3174.6-72.7-54.2-61.400112.4G169 F176 F177 V187 A190 Y194 A224G169-M173 PolarHBondContact O-N 2.85Å; M173-F176 HydrophobicContact CE-CD1 4.29Å; M173-F176 WeakPolarHBondContact O-CB 3.09Å; M173-F176 PolarHBondContact O-N 3.32Å; M173-F177 HydrophobicContact CE-CE2 3.73Å; M173-F177 HydrophobicContact CE-CZ 4.02Å; M173-F177 WeakPolarHBondContact O-CD2 3.12Å; M173-F177 PolarHBondContact O-N 2.8Å; M173-F177 VanDerWaalsContact O-N 3.08Å; M173-V187 HydrophobicContact CE-CG2 4.46Å; M173-V187 HydrophobicContact SD-CB 4.41Å; M173-V187 HydrophobicContact SD-CG1 4.21Å; M173-V187 HydrophobicContact SD-CG2 4.21Å; M173-A190 HydrophobicContact CG-CB 3.74Å; M173-A190 HydrophobicContact SD-CB 3.78Å; M173-Y194 HydrophobicContact CG-CE2 4.09Å; M173-A224 HydrophobicContact CE-CB 3.9Å; M173-A224 HydrophobicContact CG-CB 4.26Å; M173-A224 HydrophobicContact SD-CB 3.47Å; M173-A224 WeakPolarHBondContact SD-CB 3.46Å
174I79.9Confident76.3Confident61 Ų6135.8 Ų35.831%0.31320%0.2SC..Hα-helixtrans-68.3-39.3177.2-70.8168000111R135 V148 N170 A171 L172 F176 F177 N178R135-I174 HydrophobicContact CB-CD1 4.38Å; R135-I174 HydrophobicContact CG-CD1 4.36Å; R135-I174 HydrophobicContact CG-CG2 4.49Å; V148-I174 HydrophobicContact CG1-CG2 4.1Å; N170-I174 WeakPolarHBondContact O-CD1 3.39Å; N170-I174 WeakPolarHBondContact O-CG1 3.16Å; N170-I174 PolarHBondContact O-N 3.49Å; A171-I174 PolarHBondContact O-N 3.46Å; L172-I174 VanDerWaalsContact C-N 3.33Å; L172-I174 PolarHBondContact O-N 3.26Å; I174-F176 VanDerWaalsContact C-N 3.35Å; I174-F177 PolarHBondContact O-N 2.78Å; I174-N178 WeakPolarHBondContact CG2-ND2 3.32Å; I174-N178 WeakPolarHBondContact O-CB 3.16Å; I174-N178 PolarHBondContact O-N 3.33Å; I174-N178 PolarHBondContact O-ND2 3Å
175E82.4Confident77Confident31 Ų3131.4 Ų31.415%0.14518%0.183CC..Hα-helixtrans-65.1-39173.7-172.566.4-173.300111.5V148 L152 A171 L172 F177 N178 S179 L186V148-E175 WeakPolarHBondContact CG1-OE2 3.49Å; L152-E175 HydrophobicContact CD2-CB 4.15Å; L152-E175 HydrophobicContact CD2-CG 3.95Å; A171-E175 PolarHBondContact O-N 3.25Å; L172-E175 PolarHBondContact O-N 2.78Å; E175-F177 VanDerWaalsContact C-N 3.34Å; E175-F177 PolarHBondContact O-N 3.02Å; E175-N178 PolarHBondContact O-N 3.34Å; E175-S179 VanDerWaalsContact O-CB 3.3Å; E175-S179 WeakPolarHBondContact O-CB 3.01Å; E175-S179 PolarHBondContact O-N 2.67Å; E175-S179 PolarHBondContact O-OG 3.29Å; E175-L186 HydrophobicContact CB-CD1 4.15Å; E175-L186 HydrophobicContact CG-CD1 3.88Å
176F82.7Confident77.9Confident11 Ų1131.4 Ų31.45%0.04818%0.183CC..Hα-helixtrans-56.7-46173.8172.4-110.2000111.9L172 M173 I174 S179 Q181 D183 L186 V187 Y227L172-F176 WeakPolarHBondContact O-CB 3.46Å; L172-F176 PolarHBondContact O-N 3.46Å; M173-F176 HydrophobicContact CE-CD1 4.29Å; M173-F176 WeakPolarHBondContact O-CB 3.09Å; M173-F176 PolarHBondContact O-N 3.32Å; I174-F176 VanDerWaalsContact C-N 3.35Å; F176-S179 WeakPolarHBondContact CA-OG 3.44Å; F176-S179 PolarHBondContact O-N 2.95Å; F176-S179 PolarHBondContact O-OG 2.79Å; F176-S179 VanDerWaalsContact O-OG 3.05Å; F176-Q181 HydrophobicContact CD1-CG 4.27Å; F176-Q181 HydrophobicContact CE1-CB 3.98Å; F176-Q181 HydrophobicContact CE1-CG 3.7Å; F176-Q181 VanDerWaalsContact CE2-CA 3.47Å; F176-Q181 HydrophobicContact CE2-CB 3.82Å; F176-Q181 HydrophobicContact CE2-CG 4.39Å; F176-Q181 HydrophobicContact CZ-CB 3.49Å; F176-Q181 VanDerWaalsContact CZ-CB 3.49Å; F176-Q181 HydrophobicContact CZ-CG 3.78Å; F176-Q181 WeakPolarHBondContact O-CA 3.45Å; F176-Q181 PolarHBondContact O-N 3.35Å; F176-D183 WeakPolarHBondContact CD2-O 3.47Å; F176-D183 WeakPolarHBondContact CE2-O 3.46Å; F176-L186 HydrophobicContact CB-CB 4.01Å; F176-L186 HydrophobicContact CB-CD1 4.26Å; F176-V187 HydrophobicContact CB-CG2 4.27Å; F176-V187 HydrophobicContact CD1-CG2 3.51Å; F176-V187 HydrophobicContact CD2-CG2 3.53Å; F176-V187 HydrophobicContact CE1-CG2 3.56Å; F176-V187 HydrophobicContact CE2-CG2 3.55Å; F176-V187 HydrophobicContact CG-CG2 3.48Å; F176-V187 VanDerWaalsContact CG-CG2 3.48Å; F176-V187 HydrophobicContact CZ-CG2 3.56Å; F176-Y227 AromaticContact CE1-CD1 3.8Å; F176-Y227 HydrophobicContact CE1-CD1 3.8Å; F176-Y227 HydrophobicContact CE1-CE1 4.23Å; F176-Y227 HydrophobicContact CE1-CG 4.18Å; F176-Y227 HydrophobicContact CZ-CD1 4.22Å
177F79.7Confident78.8Confident71 Ų7131.2 Ų31.231%0.31118%0.183SC..Hα-helixtrans-69-33.6177-70.5-62.5000113.3M173 I174 E175 Q181 Y227M173-F177 HydrophobicContact CE-CE2 3.73Å; M173-F177 HydrophobicContact CE-CZ 4.02Å; M173-F177 WeakPolarHBondContact O-CD2 3.12Å; M173-F177 PolarHBondContact O-N 2.8Å; M173-F177 VanDerWaalsContact O-N 3.08Å; I174-F177 PolarHBondContact O-N 2.78Å; E175-F177 VanDerWaalsContact C-N 3.34Å; E175-F177 PolarHBondContact O-N 3.02Å; F177-Q181 HydrophobicContact CD1-CG 4.14Å; F177-Q181 PolarHBondContact O-NE2 3.08Å; F177-Y227 HydrophobicContact CE1-CD2 4.23Å; F177-Y227 AromaticContact CE1-CE1 3.96Å; F177-Y227 HydrophobicContact CE1-CE1 3.96Å; F177-Y227 AromaticContact CE1-CE2 3.55Å; F177-Y227 HydrophobicContact CE1-CE2 3.55Å; F177-Y227 AromaticContact CE1-CZ 3.41Å; F177-Y227 VanDerWaalsContact CE1-CZ 3.41Å; F177-Y227 WeakPolarHBondContact CE1-OH 3.4Å; F177-Y227 AromaticContact CZ-CD2 3.86Å; F177-Y227 HydrophobicContact CZ-CD2 3.86Å; F177-Y227 AromaticContact CZ-CE2 3.46Å; F177-Y227 HydrophobicContact CZ-CE2 3.46Å; F177-Y227 VanDerWaalsContact CZ-CE2 3.46Å; F177-Y227 AromaticContact CZ-CZ 3.86Å
178N79.2Confident79.1Confident94 Ų9432.4 Ų32.450%0.50319%0.188SC..Hα-helixtrans-78.3-23.9177.9-74.3-54.9000113.4V148 I174 E175 S180V148-N178 HydrophobicContact CG1-CB 4.34Å; V148-N178 VanDerWaalsContact CG1-ND2 3.26Å; V148-N178 WeakPolarHBondContact CG1-ND2 3.3Å; I174-N178 WeakPolarHBondContact CG2-ND2 3.32Å; I174-N178 WeakPolarHBondContact O-CB 3.16Å; I174-N178 PolarHBondContact O-N 3.33Å; I174-N178 PolarHBondContact O-ND2 3Å; E175-N178 PolarHBondContact O-N 3.34Å; N178-S180 PolarHBondContact O-N 2.77Å
179S77.3Confident79.2Confident38 Ų3835 Ų3527%0.26620%0.2SC..THydrogen-bonded Turntrans-85.122.6174.756.30000113.1E175 F176 Q181 C182E175-S179 VanDerWaalsContact O-CB 3.3Å; E175-S179 WeakPolarHBondContact O-CB 3.01Å; E175-S179 PolarHBondContact O-N 2.67Å; E175-S179 PolarHBondContact O-OG 3.29Å; F176-S179 WeakPolarHBondContact CA-OG 3.44Å; F176-S179 PolarHBondContact O-N 2.95Å; F176-S179 PolarHBondContact O-OG 2.79Å; F176-S179 VanDerWaalsContact O-OG 3.05Å; S179-Q181 PolarHBondContact O-N 3.4Å; S179-C182 WeakPolarHBondContact O-CB 3.31Å; S179-C182 PolarHBondContact O-N 2.89Å; S179-C182 PolarHBondContact O-SG 3.05Å
180S73.5Confident79.4Confident71 Ų7135 Ų3550%0.49720%0.2SC..THydrogen-bonded Turntrans56.330.9179.9-52.80000113.9N178 C182 N363N178-S180 PolarHBondContact O-N 2.77Å; S180-C182 PolarHBondContact O-N 3.03Å; S180-C182 VanDerWaalsContact O-N 3.13Å; S180-C182 PolarHBondContact O-SG 3.33Å; S180-N363 PolarHBondContact O-ND2 3.04Å
181Q76.8Confident79.5Confident59 Ų5936.4 Ų36.428%0.27621%0.207SC..THydrogen-bonded Turntrans56.926.3179.3-5483.229.400113.9F176 F177 S179 N363F176-Q181 HydrophobicContact CD1-CG 4.27Å; F176-Q181 HydrophobicContact CE1-CB 3.98Å; F176-Q181 HydrophobicContact CE1-CG 3.7Å; F176-Q181 VanDerWaalsContact CE2-CA 3.47Å; F176-Q181 HydrophobicContact CE2-CB 3.82Å; F176-Q181 HydrophobicContact CE2-CG 4.39Å; F176-Q181 HydrophobicContact CZ-CB 3.49Å; F176-Q181 VanDerWaalsContact CZ-CB 3.49Å; F176-Q181 HydrophobicContact CZ-CG 3.78Å; F176-Q181 WeakPolarHBondContact O-CA 3.45Å; F176-Q181 PolarHBondContact O-N 3.35Å; F177-Q181 HydrophobicContact CD1-CG 4.14Å; F177-Q181 PolarHBondContact O-NE2 3.08Å; S179-Q181 PolarHBondContact O-N 3.4Å; Q181-N363 PolarHBondContact OE1-OD1 2.88Å
182C69.3Low79.3Confident74 Ų7439.8 Ų39.850%0.522%0.223SC..  trans-82.7-22.9-177.2-64.80000113.4S179 S180 W595S179-C182 WeakPolarHBondContact O-CB 3.31Å; S179-C182 PolarHBondContact O-N 2.89Å; S179-C182 PolarHBondContact O-SG 3.05Å; S180-C182 PolarHBondContact O-N 3.03Å; S180-C182 VanDerWaalsContact O-N 3.13Å; S180-C182 PolarHBondContact O-SG 3.33Å; C182-W595 PolarHBondContact O-NE1 3.23Å
183D74Confident79Confident47 Ų4741.2 Ų41.225%0.25123%0.229SC..  trans-109.388.2-175.1-174-25.1000110.2F176 G185 L186 W595F176-D183 WeakPolarHBondContact CD2-O 3.47Å; F176-D183 WeakPolarHBondContact CE2-O 3.46Å; D183-G185 PolarHBondContact O-N 3.47Å; D183-G185 WeakPolarHBondContact OD1-CA 3.35Å; D183-G185 PolarHBondContact OD1-N 3.41Å; D183-L186 HydrophobicContact CB-CD1 3.98Å; D183-L186 HydrophobicContact CB-CG 4.1Å; D183-L186 PolarHBondContact O-N 3.18Å; D183-L186 PolarHBondContact OD1-N 3.42Å; D183-L186 VanDerWaalsContact OD1-N 3.17Å; D183-W595 HydrophobicContact CB-CH2 4.43Å; D183-W595 HydrophobicContact CB-CZ2 4Å; D183-W595 WeakPolarHBondContact OD1-CH2 3.26Å; D183-W595 WeakPolarHBondContact OD1-CZ2 3.04Å; D183-W595 WeakPolarHBondContact OD1-CZ3 3.37Å
184G74.2Confident78.6Confident27 Ų2741 Ų4128%0.27823%0.228SC..Hα-helixtrans-62.6-21.8176.400000113.5L186 V187 E188G184-L186 VanDerWaalsContact C-N 3.28Å; G184-L186 PolarHBondContact O-N 2.77Å; G184-V187 WeakPolarHBondContact O-CB 3.4Å; G184-V187 PolarHBondContact O-N 3.43Å; G184-V187 VanDerWaalsContact O-N 3.11Å; G184-E188 PolarHBondContact O-N 3.37Å
185G80.6Confident78.1Confident16 Ų1639.6 Ų39.617%0.16523%0.226CC..Hα-helixtrans-62.5-34.717700000112.7D183 V187 E188 E189 W595D183-G185 PolarHBondContact O-N 3.47Å; D183-G185 WeakPolarHBondContact OD1-CA 3.35Å; D183-G185 PolarHBondContact OD1-N 3.41Å; G185-V187 VanDerWaalsContact C-N 3.27Å; G185-V187 PolarHBondContact O-N 2.93Å; G185-E188 PolarHBondContact O-N 2.89Å; G185-E189 VanDerWaalsContact O-CB 3.29Å; G185-E189 WeakPolarHBondContact O-CB 3.45Å; G185-E189 PolarHBondContact O-N 3.21Å; G185-W595 VanDerWaalsContact CA-CZ3 3.46Å; G185-W595 VanDerWaalsContact N-CZ3 3.27Å
186L84.3Confident77.5Confident13 Ų1341.5 Ų41.57%0.06824%0.236CC..Hα-helixtrans-61.4-35.2174.3-66.2175.3000112.6L172 E175 F176 D183 G184 A190L172-L186 HydrophobicContact CD2-CD2 3.74Å; E175-L186 HydrophobicContact CB-CD1 4.15Å; E175-L186 HydrophobicContact CG-CD1 3.88Å; F176-L186 HydrophobicContact CB-CB 4.01Å; F176-L186 HydrophobicContact CB-CD1 4.26Å; D183-L186 HydrophobicContact CB-CD1 3.98Å; D183-L186 HydrophobicContact CB-CG 4.1Å; D183-L186 PolarHBondContact O-N 3.18Å; D183-L186 PolarHBondContact OD1-N 3.42Å; D183-L186 VanDerWaalsContact OD1-N 3.17Å; G184-L186 VanDerWaalsContact C-N 3.28Å; G184-L186 PolarHBondContact O-N 2.77Å; L186-A190 VanDerWaalsContact O-CB 3.27Å; L186-A190 WeakPolarHBondContact O-CB 3.44Å; L186-A190 PolarHBondContact O-N 3.22Å
187V82.2Confident76.5Confident7 Ų741.4 Ų41.44%0.04224%0.237CC..Hα-helixtrans-71-42.5177.1-178.20000110.5M173 F176 G184 G185 A190 I191 A224 A228M173-V187 HydrophobicContact CE-CG2 4.46Å; M173-V187 HydrophobicContact SD-CB 4.41Å; M173-V187 HydrophobicContact SD-CG1 4.21Å; M173-V187 HydrophobicContact SD-CG2 4.21Å; F176-V187 HydrophobicContact CB-CG2 4.27Å; F176-V187 HydrophobicContact CD1-CG2 3.51Å; F176-V187 HydrophobicContact CD2-CG2 3.53Å; F176-V187 HydrophobicContact CE1-CG2 3.56Å; F176-V187 HydrophobicContact CE2-CG2 3.55Å; F176-V187 HydrophobicContact CG-CG2 3.48Å; F176-V187 VanDerWaalsContact CG-CG2 3.48Å; F176-V187 HydrophobicContact CZ-CG2 3.56Å; G184-V187 WeakPolarHBondContact O-CB 3.4Å; G184-V187 PolarHBondContact O-N 3.43Å; G184-V187 VanDerWaalsContact O-N 3.11Å; G185-V187 VanDerWaalsContact C-N 3.27Å; G185-V187 PolarHBondContact O-N 2.93Å; V187-A190 PolarHBondContact O-N 2.65Å; V187-I191 HydrophobicContact CG1-CD1 4.06Å; V187-I191 VanDerWaalsContact O-CG1 3.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.38Å; V187-I191 PolarHBondContact O-N 2.96Å; V187-A224 HydrophobicContact CG1-CB 4.05Å; V187-A224 WeakPolarHBondContact CG1-O 3.42Å; V187-A228 HydrophobicContact CG1-CB 4.24Å
188E79.1Confident75.6Confident46 Ų4640.6 Ų40.622%0.21524%0.238CC..Hα-helixtrans-63.7-46.1176.5-67.9179.5-18000111.6G184 G185 A190 I191 Q192 V597G184-E188 PolarHBondContact O-N 3.37Å; G185-E188 PolarHBondContact O-N 2.89Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 3.08Å; E188-I191 PolarHBondContact O-N 3.3Å; E188-Q192 WeakPolarHBondContact O-CG 3.29Å; E188-Q192 PolarHBondContact O-N 2.84Å; E188-V597 VanDerWaalsContact OE1-CG1 3.25Å; E188-V597 WeakPolarHBondContact OE1-CG1 3.09Å
189E83.7Confident74.7Confident57 Ų5740 Ų4027%0.26623%0.231SC..Hα-helixtrans-58.8-44.4174.8-167.7-173.3172.500110.2R156 L172 G185 I191 Q192 F193R156-E189 IonicContact NH2-OE2 3.48Å; L172-E189 HydrophobicContact CD1-CB 3.95Å; L172-E189 HydrophobicContact CD1-CG 3.55Å; L172-E189 HydrophobicContact CD2-CG 4.47Å; L172-E189 WeakPolarHBondContact CD2-OE2 3.48Å; G185-E189 VanDerWaalsContact O-CB 3.29Å; G185-E189 WeakPolarHBondContact O-CB 3.45Å; G185-E189 PolarHBondContact O-N 3.21Å; E189-I191 PolarHBondContact O-N 2.86Å; E189-Q192 WeakPolarHBondContact O-CB 3.29Å; E189-Q192 PolarHBondContact O-N 2.92Å; E189-F193 HydrophobicContact CG-CD2 3.93Å; E189-F193 HydrophobicContact CG-CE2 3.52Å; E189-F193 WeakPolarHBondContact O-CD2 3.29Å; E189-F193 PolarHBondContact O-N 3.31Å
190A81.2Confident73.6Confident0 Ų039.8 Ų39.80%023%0.229CC..Hα-helixtrans-61.1-46175.500000112.7L172 M173 L186 V187 E188 Q192 F193 Y194L172-A190 HydrophobicContact CB-CB 3.94Å; L172-A190 HydrophobicContact CD1-CB 4.44Å; M173-A190 HydrophobicContact CG-CB 3.74Å; M173-A190 HydrophobicContact SD-CB 3.78Å; L186-A190 VanDerWaalsContact O-CB 3.27Å; L186-A190 WeakPolarHBondContact O-CB 3.44Å; L186-A190 PolarHBondContact O-N 3.22Å; V187-A190 PolarHBondContact O-N 2.65Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 3.08Å; A190-Q192 VanDerWaalsContact C-N 3.27Å; A190-Q192 PolarHBondContact O-N 3.22Å; A190-F193 PolarHBondContact O-N 3.04Å; A190-Y194 HydrophobicContact CB-CD2 4.4Å; A190-Y194 HydrophobicContact CB-CE2 3.96Å; A190-Y194 WeakPolarHBondContact O-CD2 3.32Å; A190-Y194 VanDerWaalsContact O-CG 3.26Å; A190-Y194 PolarHBondContact O-N 2.84Å
191I79.3Confident72.4Confident34 Ų3441.9 Ų41.917%0.17424%0.235CC..Hα-helixtrans-59.2-40.6177.1-69.2164.8000110.7V187 E188 E189 A195 L221 A224 L225 A228V187-I191 HydrophobicContact CG1-CD1 4.06Å; V187-I191 VanDerWaalsContact O-CG1 3.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.38Å; V187-I191 PolarHBondContact O-N 2.96Å; E188-I191 PolarHBondContact O-N 3.3Å; E189-I191 PolarHBondContact O-N 2.86Å; I191-A195 VanDerWaalsContact O-CB 3.29Å; I191-A195 WeakPolarHBondContact O-CB 3.27Å; I191-A195 PolarHBondContact O-N 3.33Å; I191-L221 HydrophobicContact CG2-CD1 4.49Å; I191-A224 HydrophobicContact CD1-CB 4.26Å; I191-A224 HydrophobicContact CG1-CB 3.65Å; I191-L225 HydrophobicContact CD1-CD2 4.15Å; I191-L225 HydrophobicContact CG1-CD2 4.33Å; I191-L225 HydrophobicContact CG2-CD2 4.17Å; I191-A228 HydrophobicContact CD1-CB 3.75Å
192Q79.2Confident71Confident73 Ų7342.6 Ų42.634%0.34125%0.251SS..Hα-helixtrans-63-47.9176.9-711747.900111.5E188 E189 A190 Y194 A195 M196E188-Q192 WeakPolarHBondContact O-CG 3.29Å; E188-Q192 PolarHBondContact O-N 2.84Å; E189-Q192 WeakPolarHBondContact O-CB 3.29Å; E189-Q192 PolarHBondContact O-N 2.92Å; A190-Q192 VanDerWaalsContact C-N 3.27Å; A190-Q192 PolarHBondContact O-N 3.22Å; Q192-Y194 PolarHBondContact O-N 2.79Å; Q192-A195 PolarHBondContact O-N 3.48Å; Q192-A195 VanDerWaalsContact O-N 3.14Å; Q192-M196 WeakPolarHBondContact O-CG 3.33Å; Q192-M196 PolarHBondContact O-N 3.07Å
193F77Confident70.1Confident29 Ų2939.9 Ų39.913%0.12723%0.232CC..Hα-helixtrans-62.1-43.5177.5-78.3-61.1000112.5Y159 L168 L172 E189 A190 A195 M196 A197Y159-F193 HydrophobicContact CD2-CE1 4.22Å; Y159-F193 HydrophobicContact CE1-CE1 4.02Å; Y159-F193 HydrophobicContact CE1-CZ 4.49Å; Y159-F193 HydrophobicContact CE2-CD1 4.02Å; Y159-F193 AromaticContact CE2-CE1 3.64Å; Y159-F193 HydrophobicContact CE2-CE1 3.64Å; Y159-F193 AromaticContact CZ-CE1 3.54Å; L168-F193 HydrophobicContact CB-CD2 4.44Å; L168-F193 HydrophobicContact CB-CG 4.36Å; L168-F193 HydrophobicContact CD2-CD1 4.21Å; L168-F193 HydrophobicContact CD2-CD2 4.02Å; L168-F193 HydrophobicContact CD2-CE1 3.72Å; L168-F193 HydrophobicContact CD2-CE2 3.44Å; L168-F193 VanDerWaalsContact CD2-CE2 3.44Å; L168-F193 HydrophobicContact CD2-CG 4.37Å; L168-F193 HydrophobicContact CD2-CZ 3.31Å; L168-F193 HydrophobicContact CG-CD2 3.97Å; L168-F193 HydrophobicContact CG-CE2 3.85Å; L168-F193 HydrophobicContact CG-CG 4.36Å; L168-F193 HydrophobicContact CG-CZ 4.18Å; L172-F193 HydrophobicContact CD1-CD2 3.44Å; L172-F193 VanDerWaalsContact CD1-CD2 3.44Å; L172-F193 HydrophobicContact CD1-CE2 3.73Å; E189-F193 HydrophobicContact CG-CD2 3.93Å; E189-F193 HydrophobicContact CG-CE2 3.52Å; E189-F193 WeakPolarHBondContact O-CD2 3.29Å; E189-F193 PolarHBondContact O-N 3.31Å; A190-F193 PolarHBondContact O-N 3.04Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.33Å; F193-M196 HydrophobicContact CD1-SD 4.29Å; F193-M196 PolarHBondContact O-N 2.71Å; F193-A197 WeakPolarHBondContact O-CB 3.32Å; F193-A197 PolarHBondContact O-N 2.73Å
194Y74.8Confident68.8Low1 Ų141 Ų410%0.00423%0.234CC..Hα-helixtrans-61.5-39.4173.3-65.5-44.9000112.3G169 N170 M173 A190 Q192 A197 T198 T217 S220 L221 A224G169-Y194 PolarHBondContact O-OH 2.82Å; G169-Y194 VanDerWaalsContact O-OH 3.13Å; N170-Y194 WeakPolarHBondContact CA-OH 2.97Å; N170-Y194 PolarHBondContact N-OH 3.05Å; N170-Y194 VanDerWaalsContact OD1-CE1 3.3Å; N170-Y194 WeakPolarHBondContact OD1-CE1 3.43Å; N170-Y194 PolarHBondContact OD1-OH 3.28Å; M173-Y194 HydrophobicContact CG-CE2 4.09Å; A190-Y194 HydrophobicContact CB-CD2 4.4Å; A190-Y194 HydrophobicContact CB-CE2 3.96Å; A190-Y194 WeakPolarHBondContact O-CD2 3.32Å; A190-Y194 VanDerWaalsContact O-CG 3.26Å; A190-Y194 PolarHBondContact O-N 2.84Å; Q192-Y194 PolarHBondContact O-N 2.79Å; Y194-A197 WeakPolarHBondContact O-CB 3.26Å; Y194-A197 PolarHBondContact O-N 2.83Å; Y194-T198 WeakPolarHBondContact O-CG2 3.3Å; Y194-T198 PolarHBondContact O-N 3.3Å; Y194-T198 VanDerWaalsContact O-N 3.08Å; Y194-T217 HydrophobicContact CD1-CG2 3.67Å; Y194-T217 HydrophobicContact CE1-CG2 4Å; Y194-S220 WeakPolarHBondContact OH-CB 3.4Å; Y194-L221 HydrophobicContact CD2-CB 3.77Å; Y194-L221 HydrophobicContact CD2-CD1 3.87Å; Y194-L221 HydrophobicContact CD2-CG 4.41Å; Y194-L221 HydrophobicContact CE2-CB 4.34Å; Y194-L221 HydrophobicContact CG-CB 3.92Å; Y194-L221 HydrophobicContact CG-CD1 4.18Å; Y194-A224 HydrophobicContact CE2-CB 4.27Å
195A70.1Confident67.4Low32 Ų3242.9 Ų42.926%0.26423%0.234SC..Hα-helixtrans-68.2-34.5177.300000112.6I191 Q192 F193 T198I191-A195 VanDerWaalsContact O-CB 3.29Å; I191-A195 WeakPolarHBondContact O-CB 3.27Å; I191-A195 PolarHBondContact O-N 3.33Å; Q192-A195 PolarHBondContact O-N 3.48Å; Q192-A195 VanDerWaalsContact O-N 3.14Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.33Å; A195-T198 PolarHBondContact O-N 3.24Å; A195-T198 PolarHBondContact O-OG1 3.37Å
196M68.7Low65.6Low71 Ų7144.1 Ų44.135%0.3524%0.237SC..Hα-helixtrans-65.1-46.6171.4-69.8174.3-177.700110.7Q192 F193 T198 K199 V633Q192-M196 WeakPolarHBondContact O-CG 3.33Å; Q192-M196 PolarHBondContact O-N 3.07Å; F193-M196 HydrophobicContact CD1-SD 4.29Å; F193-M196 PolarHBondContact O-N 2.71Å; M196-T198 PolarHBondContact O-N 3.34Å; M196-K199 WeakPolarHBondContact O-CB 3.03Å; M196-K199 PolarHBondContact O-N 3.28Å; M196-V633 HydrophobicContact CE-CG1 3.88Å; M196-V633 HydrophobicContact CE-CG2 4.15Å; M196-V633 HydrophobicContact CG-CG1 4.02Å
197A62.7Low63.3Low10 Ų1043.9 Ų43.98%0.08324%0.237CC..Hα-helixtrans-59.2-27.9176.400000113.9D166 F193 Y194 K199 T203D166-A197 HydrophobicContact CB-CB 3.2Å; F193-A197 WeakPolarHBondContact O-CB 3.32Å; F193-A197 PolarHBondContact O-N 2.73Å; Y194-A197 WeakPolarHBondContact O-CB 3.26Å; Y194-A197 PolarHBondContact O-N 2.83Å; A197-K199 VanDerWaalsContact C-N 3.28Å; A197-K199 PolarHBondContact O-N 2.89Å; A197-T203 VanDerWaalsContact O-CB 3.24Å; A197-T203 WeakPolarHBondContact O-CB 3.39Å; A197-T203 PolarHBondContact O-OG1 2.97Å
198T61.1Low61.1Low54 Ų5446.6 Ų46.633%0.33125%0.251SS..THydrogen-bonded Turntrans-77.7-7.417557.10000114.8Y194 A195 M196Y194-T198 WeakPolarHBondContact O-CG2 3.3Å; Y194-T198 PolarHBondContact O-N 3.3Å; Y194-T198 VanDerWaalsContact O-N 3.08Å; A195-T198 PolarHBondContact O-N 3.24Å; A195-T198 PolarHBondContact O-OG1 3.37Å; M196-T198 PolarHBondContact O-N 3.34Å
199K58.8Low59.1Low82 Ų8245.7 Ų45.736%0.35725%0.247SC..THydrogen-bonded Turntrans-97.2-33.7-172.2-75.6172.4-175.2159.40115.2M196 A197 D201 N632M196-K199 WeakPolarHBondContact O-CB 3.03Å; M196-K199 PolarHBondContact O-N 3.28Å; A197-K199 VanDerWaalsContact C-N 3.28Å; A197-K199 PolarHBondContact O-N 2.89Å; K199-D201 PolarHBondContact O-N 2.82Å; K199-N632 WeakPolarHBondContact CD-O 3.36Å; K199-N632 WeakPolarHBondContact CE-O 3.21Å; K199-N632 PolarHBondContact NZ-O 3.15Å
200S54.7Low56.7Low32 Ų3244.8 Ų44.822%0.22424%0.242CC..SBendtrans-68.6125.9178.4-178.60000108.6E164 A202 T203 K204E164-S200 WeakPolarHBondContact OE2-CB 2.99Å; E164-S200 PolarHBondContact OE2-OG 3.47Å; S200-A202 PolarHBondContact O-N 2.85Å; S200-A202 VanDerWaalsContact O-N 3.09Å; S200-T203 WeakPolarHBondContact CB-OG1 3.16Å; S200-T203 PolarHBondContact O-N 3.12Å; S200-T203 PolarHBondContact O-OG1 3.48Å; S200-K204 VanDerWaalsContact O-CB 3.27Å; S200-K204 WeakPolarHBondContact O-CB 2.93Å; S200-K204 PolarHBondContact O-N 3.24Å
201D48.9Very low54.4Low116 Ų11647.8 Ų47.862%0.6225%0.254SS*.THydrogen-bonded Turntrans-59.5-22.6-178.8-83.5-32.4000111.7K199 Y205K199-D201 PolarHBondContact O-N 2.82Å; D201-Y205 VanDerWaalsContact O-CD2 3.3Å; D201-Y205 WeakPolarHBondContact O-CD2 3.17Å
202A46.6Very low52.1Low73 Ų7351.4 Ų51.460%0.60327%0.273SS*.THydrogen-bonded Turntrans-70.2-44.2173.400000112.5S200 D206S200-A202 PolarHBondContact O-N 2.85Å; S200-A202 VanDerWaalsContact O-N 3.09Å; A202-D206 PolarHBondContact O-N 3.02Å
203T50.8Low49.8Very low18 Ų1852 Ų5211%0.1128%0.276CS..THydrogen-bonded Turntrans-89.7-22.8-175.9560000113.6A197 S200 Y205 D206A197-T203 VanDerWaalsContact O-CB 3.24Å; A197-T203 WeakPolarHBondContact O-CB 3.39Å; A197-T203 PolarHBondContact O-OG1 2.97Å; S200-T203 WeakPolarHBondContact CB-OG1 3.16Å; S200-T203 PolarHBondContact O-N 3.12Å; S200-T203 PolarHBondContact O-OG1 3.48Å; T203-Y205 PolarHBondContact O-N 2.75Å; T203-Y205 VanDerWaalsContact O-N 3.13Å; T203-D206 PolarHBondContact O-N 3.45Å; T203-D206 VanDerWaalsContact O-N 3.11Å
204K47.5Very low47.6Very low69 Ų6951.3 Ų51.330%0.328%0.277SS..THydrogen-bonded Turntrans-55.7-30174.3-171.3176.8-173.1177.90112.1S200S200-K204 VanDerWaalsContact O-CB 3.27Å; S200-K204 WeakPolarHBondContact O-CB 2.93Å; S200-K204 PolarHBondContact O-N 3.24Å
205Y45Very low46.1Very low67 Ų6754.5 Ų54.526%0.26330%0.299SS..THydrogen-bonded Turntrans-104.6-22.6176.9-62.8-61.4000112H17 C18 L21 D201 T203 A207H17-Y205 WeakPolarHBondContact CB-O 3.44Å; H17-Y205 PolarHBondContact CD2-O 3.14Å; H17-Y205 VanDerWaalsContact CG-C 3.42Å; H17-Y205 PolarHBondContact ND1-O 2.83Å; C18-Y205 VanDerWaalsContact SG-CD1 3.58Å; L21-Y205 HydrophobicContact CD1-CD1 4.46Å; L21-Y205 HydrophobicContact CD1-CE1 3.84Å; D201-Y205 VanDerWaalsContact O-CD2 3.3Å; D201-Y205 WeakPolarHBondContact O-CD2 3.17Å; T203-Y205 PolarHBondContact O-N 2.75Å; T203-Y205 VanDerWaalsContact O-N 3.13Å; Y205-A207 VanDerWaalsContact C-N 3.31Å; Y205-A207 PolarHBondContact O-N 3.25Å
206D41.9Very low45.1Very low42 Ų4255.9 Ų55.923%0.22530%0.304CS..  trans-53.778.7-164.6-155.1-5.5000117.3H17 A202 T203 D208 L209 Y210H17-D206 WeakPolarHBondContact CE1-CA 3.32Å; H17-D206 IonicContact CE1-OD1 2.83Å; H17-D206 PolarHBondContact CE1-OD1 3.08Å; H17-D206 VanDerWaalsContact CE1-OD1 3.28Å; H17-D206 IonicContact NE2-OD1 3.92Å; H17-D206 PolarHBondContact NE2-OD1 3.49Å; A202-D206 PolarHBondContact O-N 3.02Å; T203-D206 PolarHBondContact O-N 3.45Å; T203-D206 VanDerWaalsContact O-N 3.11Å; D206-D208 PolarHBondContact O-N 2.99Å; D206-D208 PolarHBondContact OD1-N 2.82Å; D206-L209 WeakPolarHBondContact O-CB 3.36Å; D206-L209 PolarHBondContact O-N 2.75Å; D206-Y210 WeakPolarHBondContact O-CD2 3.18Å; D206-Y210 WeakPolarHBondContact O-CE2 3.31Å
207A36.9Very low44.5Very low9 Ų952.7 Ų52.77%0.07429%0.289CS..G310 helixtrans-67.2-3.5-177.800000114.5R16 H17 Y205 L209 Y210 Y211R16-A207 PolarHBondContact NH2-O 3.02Å; H17-A207 HydrophobicContact CB-CB 4.4Å; H17-A207 VanDerWaalsContact CD2-CA 3.47Å; H17-A207 WeakPolarHBondContact CD2-CA 3.47Å; H17-A207 WeakPolarHBondContact CD2-CB 3.36Å; H17-A207 PolarHBondContact CD2-N 3.28Å; H17-A207 PolarHBondContact CE1-N 3.28Å; H17-A207 VanDerWaalsContact CE1-N 3.26Å; H17-A207 PolarHBondContact NE2-N 3.16Å; Y205-A207 VanDerWaalsContact C-N 3.31Å; Y205-A207 PolarHBondContact O-N 3.25Å; A207-L209 PolarHBondContact O-N 3.47Å; A207-Y210 VanDerWaalsContact C-N 3.26Å; A207-Y210 CarbonylContact O-C 3.45Å; A207-Y210 WeakPolarHBondContact O-CA 3.49Å; A207-Y210 PolarHBondContact O-N 2.81Å; A207-Y211 PolarHBondContact O-N 3.17Å
208D34.6Very low44.3Very low64 Ų6453 Ų5334%0.34229%0.289SS..G310 helixtrans-59.8-22.6165.6-77.4-25.9000110.4K13 R16 D206K13-D208 WeakPolarHBondContact CE-OD2 3.35Å; K13-D208 IonicContact NZ-OD2 2.79Å; K13-D208 PolarHBondContact NZ-OD2 3.05Å; R16-D208 IonicContact CZ-OD1 3.69Å; R16-D208 IonicContact NH1-OD1 2.68Å; R16-D208 PolarHBondContact NH1-OD1 2.92Å; R16-D208 IonicContact NH2-OD1 3.08Å; R16-D208 PolarHBondContact NH2-OD1 3.3Å; D206-D208 PolarHBondContact O-N 2.99Å; D206-D208 PolarHBondContact OD1-N 2.82Å
209L37.3Very low44.4Very low26 Ų2652.1 Ų52.114%0.13629%0.287CS..G310 helixtrans-90.48.1165.2-106120.2000116.4D166 D206 A207 G214 T217D166-L209 WeakPolarHBondContact OD1-CD1 3.36Å; D166-L209 WeakPolarHBondContact OD2-CD1 3.37Å; D166-L209 VanDerWaalsContact OD2-CD2 3.24Å; D166-L209 WeakPolarHBondContact OD2-CD2 3.32Å; D206-L209 WeakPolarHBondContact O-CB 3.36Å; D206-L209 PolarHBondContact O-N 2.75Å; A207-L209 PolarHBondContact O-N 3.47Å; L209-G214 VanDerWaalsContact C-CA 3.42Å; L209-G214 CarbonylContact O-C 3.59Å; L209-G214 VanDerWaalsContact O-C 3.32Å; L209-G214 WeakPolarHBondContact O-CA 3.11Å; L209-T217 VanDerWaalsContact CD2-CB 3.42Å; L209-T217 HydrophobicContact CD2-CG2 4.35Å; L209-T217 WeakPolarHBondContact CD2-OG1 3.38Å
210Y33.9Very low44.8Very low39 Ų3949.3 Ų49.315%0.15328%0.278CS..THydrogen-bonded Turntrans-135.1-8.3-171.2-58.7-104.3000116.5D206 A207 I218 L244D206-Y210 WeakPolarHBondContact O-CD2 3.18Å; D206-Y210 WeakPolarHBondContact O-CE2 3.31Å; A207-Y210 VanDerWaalsContact C-N 3.26Å; A207-Y210 CarbonylContact O-C 3.45Å; A207-Y210 WeakPolarHBondContact O-CA 3.49Å; A207-Y210 PolarHBondContact O-N 2.81Å; Y210-I218 HydrophobicContact CD1-CD1 4.35Å; Y210-I218 HydrophobicContact CE1-CD1 3.59Å; Y210-I218 HydrophobicContact CE1-CG1 3.81Å; Y210-L244 HydrophobicContact CD1-CD1 4.38Å; Y210-L244 HydrophobicContact CE1-CD1 4.18Å
211Y32.6Very low45.7Very low63 Ų6348.5 Ų48.525%0.24727%0.271CS..SBendtrans-113.1-27.2-178.5-141.1-100.2000117.4F31 A207F31-Y211 HydrophobicContact CD1-CD2 4.49Å; F31-Y211 AromaticContact CD1-CE1 3.94Å; F31-Y211 HydrophobicContact CD1-CE1 3.94Å; F31-Y211 AromaticContact CD1-CE2 3.57Å; F31-Y211 HydrophobicContact CD1-CE2 3.57Å; F31-Y211 AromaticContact CD1-CZ 3.24Å; F31-Y211 WeakPolarHBondContact CD1-OH 3.32Å; F31-Y211 AromaticContact CE1-CD1 3.91Å; F31-Y211 HydrophobicContact CE1-CD1 3.91Å; F31-Y211 AromaticContact CE1-CD2 3.58Å; F31-Y211 HydrophobicContact CE1-CD2 3.58Å; F31-Y211 AromaticContact CE1-CE1 3.43Å; F31-Y211 HydrophobicContact CE1-CE1 3.43Å; F31-Y211 VanDerWaalsContact CE1-CE1 3.43Å; F31-Y211 AromaticContact CE1-CE2 3.06Å; F31-Y211 HydrophobicContact CE1-CE2 3.06Å; F31-Y211 AromaticContact CE1-CG 3.99Å; F31-Y211 HydrophobicContact CE1-CG 3.99Å; F31-Y211 AromaticContact CE1-CZ 2.98Å; F31-Y211 WeakPolarHBondContact CE1-OH 3.4Å; F31-Y211 HydrophobicContact CE2-CE2 4.22Å; F31-Y211 HydrophobicContact CG-CE2 4.35Å; F31-Y211 AromaticContact CZ-CD2 3.6Å; F31-Y211 HydrophobicContact CZ-CD2 3.6Å; F31-Y211 HydrophobicContact CZ-CE1 4.39Å; F31-Y211 AromaticContact CZ-CE2 3.41Å; F31-Y211 HydrophobicContact CZ-CE2 3.41Å; F31-Y211 VanDerWaalsContact CZ-CE2 3.41Å; F31-Y211 HydrophobicContact CZ-CG 4.2Å; F31-Y211 AromaticContact CZ-CZ 3.86Å; A207-Y211 PolarHBondContact O-N 3.17Å
212N31Very low47Very low110 Ų11043.1 Ų43.159%0.58824%0.242SC*.SBendtrans-140.2-14.3175.8-69.1-61.5000116.6P70P70-N212 WeakPolarHBondContact CA-ND2 3.46Å; P70-N212 WeakPolarHBondContact CB-ND2 3.31Å
213Q31Very low48.4Very low86 Ų8642.5 Ų42.540%0.40223%0.228SC..SBendtrans-113.324156.4-72.9175.1-19.800109.3F102 S215 V216F102-Q213 VanDerWaalsContact CE1-NE2 3.28Å; Q213-S215 PolarHBondContact O-N 2.99Å; Q213-V216 VanDerWaalsContact O-CB 3.24Å; Q213-V216 WeakPolarHBondContact O-CB 3.45Å; Q213-V216 WeakPolarHBondContact O-CG2 3.45Å; Q213-V216 PolarHBondContact O-N 3.21Å
214G30.9Very low49.8Very low13 Ų1341.6 Ų41.613%0.13422%0.223CC..THydrogen-bonded Turntrans-85.3-19-145.100000117.7L209 V216L209-G214 VanDerWaalsContact C-CA 3.42Å; L209-G214 CarbonylContact O-C 3.59Å; L209-G214 VanDerWaalsContact O-C 3.32Å; L209-G214 WeakPolarHBondContact O-CA 3.11Å; G214-V216 PolarHBondContact O-N 3.39Å
215S43.6Very low51.4Low68 Ų6838.7 Ų38.748%0.47621%0.211SC..THydrogen-bonded Turntrans-71.2-16.2170.1-61.60000110.8Q213 A219Q213-S215 PolarHBondContact O-N 2.99Å; S215-A219 VanDerWaalsContact O-CA 3.31Å; S215-A219 WeakPolarHBondContact O-CA 3.43Å; S215-A219 WeakPolarHBondContact O-CB 3.45Å; S215-A219 PolarHBondContact O-N 3.28Å
216V49Very low53.1Low61 Ų6136.9 Ų36.937%0.3720%0.203SC..Hα-helixtrans-70.3-47.3-160.5-178.80000112.3Q213 G214 S220Q213-V216 VanDerWaalsContact O-CB 3.24Å; Q213-V216 WeakPolarHBondContact O-CB 3.45Å; Q213-V216 WeakPolarHBondContact O-CG2 3.45Å; Q213-V216 PolarHBondContact O-N 3.21Å; G214-V216 PolarHBondContact O-N 3.39Å; V216-S220 WeakPolarHBondContact O-CA 3.41Å; V216-S220 WeakPolarHBondContact O-CB 3.29Å; V216-S220 PolarHBondContact O-N 3.49Å; V216-S220 PolarHBondContact O-OG 3.33Å
217T55.3Low55Low4 Ų437.9 Ų37.93%0.02521%0.205CC..Hα-helixtrans-74.9-46.3-175.5-72.70000113.4N170 Y194 L209 S220 L221N170-T217 PolarHBondContact ND2-OG1 2.82Å; Y194-T217 HydrophobicContact CD1-CG2 3.67Å; Y194-T217 HydrophobicContact CE1-CG2 4Å; L209-T217 VanDerWaalsContact CD2-CB 3.42Å; L209-T217 HydrophobicContact CD2-CG2 4.35Å; L209-T217 WeakPolarHBondContact CD2-OG1 3.38Å; T217-S220 PolarHBondContact O-N 3.41Å; T217-L221 WeakPolarHBondContact O-CB 3.39Å; T217-L221 PolarHBondContact O-N 3.23Å
218I60.1Low57.2Low17 Ų1739.7 Ų39.79%0.08722%0.22CC..Hα-helixtrans-68.7-38.5174-64-178.1000111.6Y210 S220 L221 L222 Y240 A241Y210-I218 HydrophobicContact CD1-CD1 4.35Å; Y210-I218 HydrophobicContact CE1-CD1 3.59Å; Y210-I218 HydrophobicContact CE1-CG1 3.81Å; I218-S220 VanDerWaalsContact C-N 3.32Å; I218-S220 PolarHBondContact O-N 2.96Å; I218-L221 PolarHBondContact O-N 3.02Å; I218-L222 WeakPolarHBondContact O-CB 3.43Å; I218-L222 PolarHBondContact O-N 3.45Å; I218-Y240 HydrophobicContact CD1-CD1 4.38Å; I218-A241 HydrophobicContact CD1-CB 3.69Å; I218-A241 HydrophobicContact CG2-CB 3.99Å
219A63.1Low59.5Low36 Ų3638 Ų3830%0.29821%0.21SC..Hα-helixtrans-69.1-32.8176.600000111.8S215 L222 N223S215-A219 VanDerWaalsContact O-CA 3.31Å; S215-A219 WeakPolarHBondContact O-CA 3.43Å; S215-A219 WeakPolarHBondContact O-CB 3.45Å; S215-A219 PolarHBondContact O-N 3.28Å; A219-L222 WeakPolarHBondContact O-CB 3.46Å; A219-L222 PolarHBondContact O-N 3.38Å; A219-N223 WeakPolarHBondContact O-CB 3.21Å; A219-N223 PolarHBondContact O-N 3.14Å; A219-N223 PolarHBondContact O-ND2 3.17Å; A219-N223 VanDerWaalsContact O-ND2 3.08Å
220S66.8Low61.7Low22 Ų2240.2 Ų40.215%0.15422%0.222CC..Hα-helixtrans-75.9-37.4176.3-56.40000111.6N170 Y194 V216 T217 I218 L222 N223 A224N170-S220 VanDerWaalsContact OD1-CB 3.23Å; N170-S220 WeakPolarHBondContact OD1-CB 2.95Å; N170-S220 PolarHBondContact OD1-OG 3.05Å; Y194-S220 WeakPolarHBondContact OH-CB 3.4Å; V216-S220 WeakPolarHBondContact O-CA 3.41Å; V216-S220 WeakPolarHBondContact O-CB 3.29Å; V216-S220 PolarHBondContact O-N 3.49Å; V216-S220 PolarHBondContact O-OG 3.33Å; T217-S220 PolarHBondContact O-N 3.41Å; I218-S220 VanDerWaalsContact C-N 3.32Å; I218-S220 PolarHBondContact O-N 2.96Å; S220-L222 VanDerWaalsContact C-N 3.35Å; S220-N223 PolarHBondContact O-N 2.84Å; S220-A224 VanDerWaalsContact O-CB 3.28Å; S220-A224 WeakPolarHBondContact O-CB 3.48Å; S220-A224 PolarHBondContact O-N 3.38Å
221L73.2Confident64.1Low16 Ų1638.8 Ų38.88%0.08422%0.216CC..Hα-helixtrans-59.8-45.6166.7173.559000110.7I191 Y194 T217 I218 N223 A224 L225I191-L221 HydrophobicContact CG2-CD1 4.49Å; Y194-L221 HydrophobicContact CD2-CB 3.77Å; Y194-L221 HydrophobicContact CD2-CD1 3.87Å; Y194-L221 HydrophobicContact CD2-CG 4.41Å; Y194-L221 HydrophobicContact CE2-CB 4.34Å; Y194-L221 HydrophobicContact CG-CB 3.92Å; Y194-L221 HydrophobicContact CG-CD1 4.18Å; T217-L221 WeakPolarHBondContact O-CB 3.39Å; T217-L221 PolarHBondContact O-N 3.23Å; I218-L221 PolarHBondContact O-N 3.02Å; L221-N223 VanDerWaalsContact C-N 3.34Å; L221-N223 PolarHBondContact O-N 3.02Å; L221-A224 PolarHBondContact O-N 3.41Å; L221-L225 HydrophobicContact CD1-CD1 3.6Å; L221-L225 HydrophobicContact CD1-CD2 4.38Å; L221-L225 HydrophobicContact CD1-CG 3.75Å; L221-L225 HydrophobicContact CD2-CD1 4.37Å; L221-L225 HydrophobicContact CG-CD1 3.64Å; L221-L225 HydrophobicContact CG-CG 4.25Å; L221-L225 VanDerWaalsContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CB 3.15Å; L221-L225 WeakPolarHBondContact O-CG 3.44Å; L221-L225 PolarHBondContact O-N 3.35Å
222L75.9Confident66.4Low3 Ų338.9 Ų38.92%0.01622%0.219CC..Hα-helixtrans-59.1-46175.4171.964.5000111.1I218 A219 S220 L225 R226 A234 L238 E254I218-L222 WeakPolarHBondContact O-CB 3.43Å; I218-L222 PolarHBondContact O-N 3.45Å; A219-L222 WeakPolarHBondContact O-CB 3.46Å; A219-L222 PolarHBondContact O-N 3.38Å; S220-L222 VanDerWaalsContact C-N 3.35Å; L222-L225 PolarHBondContact O-N 3.36Å; L222-R226 HydrophobicContact CD1-CG 4.08Å; L222-R226 HydrophobicContact CG-CG 4.48Å; L222-R226 VanDerWaalsContact O-CB 3.3Å; L222-R226 WeakPolarHBondContact O-CB 3.07Å; L222-R226 WeakPolarHBondContact O-CG 3.48Å; L222-R226 PolarHBondContact O-N 3.3Å; L222-A234 HydrophobicContact CD1-CB 3.53Å; L222-L238 HydrophobicContact CD1-CD1 3.63Å; L222-L238 HydrophobicContact CD1-CG 3.9Å; L222-L238 HydrophobicContact CD2-CD1 3.96Å; L222-L238 HydrophobicContact CD2-CD2 3.68Å; L222-L238 HydrophobicContact CD2-CG 3.94Å; L222-L238 HydrophobicContact CG-CD1 4.44Å; L222-L238 HydrophobicContact CG-CG 4.49Å; L222-E254 HydrophobicContact CD2-CB 4.09Å; L222-E254 HydrophobicContact CD2-CG 4.23Å
223N75.7Confident68.5Low59 Ų5934.5 Ų34.532%0.31620%0.199SC..Hα-helixtrans-63-45.4176.5-72.4-30000110.4A219 S220 L221 L225 R226 Y227A219-N223 WeakPolarHBondContact O-CB 3.21Å; A219-N223 PolarHBondContact O-N 3.14Å; A219-N223 PolarHBondContact O-ND2 3.17Å; A219-N223 VanDerWaalsContact O-ND2 3.08Å; S220-N223 PolarHBondContact O-N 2.84Å; L221-N223 VanDerWaalsContact C-N 3.34Å; L221-N223 PolarHBondContact O-N 3.02Å; N223-L225 PolarHBondContact O-N 3.11Å; N223-R226 PolarHBondContact O-N 3.25Å; N223-Y227 WeakPolarHBondContact O-CB 3.45Å; N223-Y227 WeakPolarHBondContact O-CD2 3.2Å; N223-Y227 PolarHBondContact O-N 3.28Å
224A79.6Confident70.7Confident0 Ų030.4 Ų30.40%018%0.18CC..Hα-helixtrans-58.9-49.2176.800000111.3M173 V187 I191 Y194 S220 L221 R226 Y227 A228M173-A224 HydrophobicContact CE-CB 3.9Å; M173-A224 HydrophobicContact CG-CB 4.26Å; M173-A224 HydrophobicContact SD-CB 3.47Å; M173-A224 WeakPolarHBondContact SD-CB 3.46Å; V187-A224 HydrophobicContact CG1-CB 4.05Å; V187-A224 WeakPolarHBondContact CG1-O 3.42Å; I191-A224 HydrophobicContact CD1-CB 4.26Å; I191-A224 HydrophobicContact CG1-CB 3.65Å; Y194-A224 HydrophobicContact CE2-CB 4.27Å; S220-A224 VanDerWaalsContact O-CB 3.28Å; S220-A224 WeakPolarHBondContact O-CB 3.48Å; S220-A224 PolarHBondContact O-N 3.38Å; L221-A224 PolarHBondContact O-N 3.41Å; A224-R226 VanDerWaalsContact C-N 3.34Å; A224-R226 PolarHBondContact O-N 3.08Å; A224-Y227 PolarHBondContact O-N 3.5Å; A224-A228 WeakPolarHBondContact O-CB 3.4Å; A224-A228 PolarHBondContact O-N 2.82Å
225L82.2Confident73.1Confident8 Ų831.2 Ų31.24%0.04218%0.179CC..Hα-helixtrans-62.9-37.6177.2-70.2167.5000112.3I191 L221 L222 N223 A228 E229 N230 A234I191-L225 HydrophobicContact CD1-CD2 4.15Å; I191-L225 HydrophobicContact CG1-CD2 4.33Å; I191-L225 HydrophobicContact CG2-CD2 4.17Å; L221-L225 HydrophobicContact CD1-CD1 3.6Å; L221-L225 HydrophobicContact CD1-CD2 4.38Å; L221-L225 HydrophobicContact CD1-CG 3.75Å; L221-L225 HydrophobicContact CD2-CD1 4.37Å; L221-L225 HydrophobicContact CG-CD1 3.64Å; L221-L225 HydrophobicContact CG-CG 4.25Å; L221-L225 VanDerWaalsContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CB 3.15Å; L221-L225 WeakPolarHBondContact O-CG 3.44Å; L221-L225 PolarHBondContact O-N 3.35Å; L222-L225 PolarHBondContact O-N 3.36Å; N223-L225 PolarHBondContact O-N 3.11Å; L225-A228 CarbonylContact O-C 3.59Å; L225-A228 PolarHBondContact O-N 3.24Å; L225-E229 CarbonylContact O-C 3.52Å; L225-E229 PolarHBondContact O-N 3.17Å; L225-N230 HydrophobicContact CB-CB 4.45Å; L225-N230 HydrophobicContact CD2-CB 3.89Å; L225-N230 WeakPolarHBondContact O-CA 3.37Å; L225-N230 PolarHBondContact O-N 2.92Å; L225-A234 HydrophobicContact CB-CB 4.11Å
226R81.6Confident74.6Confident28 Ų2832.6 Ų32.611%0.10618%0.177CC..Hα-helixtrans-69.7-38.4175.6-75.6171.764.6168.53.1112.6L222 N223 A224 E229 A234 E254 Y362L222-R226 HydrophobicContact CD1-CG 4.08Å; L222-R226 HydrophobicContact CG-CG 4.48Å; L222-R226 VanDerWaalsContact O-CB 3.3Å; L222-R226 WeakPolarHBondContact O-CB 3.07Å; L222-R226 WeakPolarHBondContact O-CG 3.48Å; L222-R226 PolarHBondContact O-N 3.3Å; N223-R226 PolarHBondContact O-N 3.25Å; A224-R226 VanDerWaalsContact C-N 3.34Å; A224-R226 PolarHBondContact O-N 3.08Å; R226-E229 PolarHBondContact O-N 3.23Å; R226-A234 HydrophobicContact CG-CB 4.3Å; R226-E254 IonicContact NH1-OE2 3.64Å; R226-E254 PolarHBondContact NH1-OE2 3.39Å; R226-Y362 PolarHBondContact O-OH 3.37Å; R226-Y362 VanDerWaalsContact O-OH 3.08Å
227Y80.7Confident75.7Confident63 Ų6330.8 Ų30.825%0.24717%0.167CC..Hα-helixtrans-69.6-35174.7-93.1-87.7000111.7F176 F177 N223 A224 E229 Y362F176-Y227 AromaticContact CE1-CD1 3.8Å; F176-Y227 HydrophobicContact CE1-CD1 3.8Å; F176-Y227 HydrophobicContact CE1-CE1 4.23Å; F176-Y227 HydrophobicContact CE1-CG 4.18Å; F176-Y227 HydrophobicContact CZ-CD1 4.22Å; F177-Y227 HydrophobicContact CE1-CD2 4.23Å; F177-Y227 AromaticContact CE1-CE1 3.96Å; F177-Y227 HydrophobicContact CE1-CE1 3.96Å; F177-Y227 AromaticContact CE1-CE2 3.55Å; F177-Y227 HydrophobicContact CE1-CE2 3.55Å; F177-Y227 AromaticContact CE1-CZ 3.41Å; F177-Y227 VanDerWaalsContact CE1-CZ 3.41Å; F177-Y227 WeakPolarHBondContact CE1-OH 3.4Å; F177-Y227 AromaticContact CZ-CD2 3.86Å; F177-Y227 HydrophobicContact CZ-CD2 3.86Å; F177-Y227 AromaticContact CZ-CE2 3.46Å; F177-Y227 HydrophobicContact CZ-CE2 3.46Å; F177-Y227 VanDerWaalsContact CZ-CE2 3.46Å; F177-Y227 AromaticContact CZ-CZ 3.86Å; N223-Y227 WeakPolarHBondContact O-CB 3.45Å; N223-Y227 WeakPolarHBondContact O-CD2 3.2Å; N223-Y227 PolarHBondContact O-N 3.28Å; A224-Y227 PolarHBondContact O-N 3.5Å; Y227-E229 PolarHBondContact O-N 3.06Å; Y227-Y362 AromaticContact CD1-CD1 3.85Å; Y227-Y362 HydrophobicContact CD1-CD1 3.85Å; Y227-Y362 AromaticContact CD1-CE1 3.99Å; Y227-Y362 HydrophobicContact CD1-CE1 3.99Å; Y227-Y362 AromaticContact CE1-CD1 3.74Å; Y227-Y362 HydrophobicContact CE1-CD1 3.74Å; Y227-Y362 HydrophobicContact CE1-CE1 4.17Å; Y227-Y362 HydrophobicContact CG-CE1 4.47Å
228A82.2Confident76.7Confident48 Ų4830.8 Ų30.840%0.39717%0.167SC..THydrogen-bonded Turntrans-79.55.1170.400000113.5V187 I191 A224 L225 N230V187-A228 HydrophobicContact CG1-CB 4.24Å; I191-A228 HydrophobicContact CD1-CB 3.75Å; A224-A228 WeakPolarHBondContact O-CB 3.4Å; A224-A228 PolarHBondContact O-N 2.82Å; L225-A228 CarbonylContact O-C 3.59Å; L225-A228 PolarHBondContact O-N 3.24Å; A228-N230 PolarHBondContact O-N 3.37Å
229E84.4Confident77.4Confident28 Ų2833.9 Ų33.913%0.13118%0.181CC..THydrogen-bonded Turntrans51.525.1-177.6-60.4-176120.500115.3L225 R226 Y227 Y231 T360 Y362 Y384L225-E229 CarbonylContact O-C 3.52Å; L225-E229 PolarHBondContact O-N 3.17Å; R226-E229 PolarHBondContact O-N 3.23Å; Y227-E229 PolarHBondContact O-N 3.06Å; E229-Y231 VanDerWaalsContact C-N 3.28Å; E229-Y231 HydrophobicContact CB-CE2 3.97Å; E229-Y231 HydrophobicContact CG-CE2 4.4Å; E229-Y231 VanDerWaalsContact O-CD2 3.32Å; E229-Y231 WeakPolarHBondContact O-CD2 3.21Å; E229-Y231 PolarHBondContact O-N 3.32Å; E229-Y231 VanDerWaalsContact O-N 3.08Å; E229-T360 WeakPolarHBondContact OE1-CB 3.4Å; E229-T360 WeakPolarHBondContact OE1-CG2 3.29Å; E229-T360 PolarHBondContact OE1-OG1 3.45Å; E229-Y362 HydrophobicContact CG-CE2 4.12Å; E229-Y362 WeakPolarHBondContact CG-OH 2.97Å; E229-Y362 WeakPolarHBondContact OE1-CE2 3.35Å; E229-Y362 PolarHBondContact OE1-OH 3.18Å; E229-Y384 HydrophobicContact CB-CE1 4.46Å; E229-Y384 HydrophobicContact CB-CE2 3.88Å; E229-Y384 WeakPolarHBondContact CB-OH 3.45Å; E229-Y384 WeakPolarHBondContact CG-OH 3.32Å; E229-Y384 PolarHBondContact OE1-OH 3.22Å; E229-Y384 WeakPolarHBondContact OE2-CE1 3.38Å; E229-Y384 PolarHBondContact OE2-OH 3.15Å
230N83.2Confident77.7Confident72 Ų7235.6 Ų35.639%0.38518%0.18SC..  trans-84.270.5171.1-172.6-5000110.5L225 A228 E232 G233 A234L225-N230 HydrophobicContact CB-CB 4.45Å; L225-N230 HydrophobicContact CD2-CB 3.89Å; L225-N230 WeakPolarHBondContact O-CA 3.37Å; L225-N230 PolarHBondContact O-N 2.92Å; A228-N230 PolarHBondContact O-N 3.37Å; N230-E232 VanDerWaalsContact C-N 3.27Å; N230-E232 PolarHBondContact O-N 3.35Å; N230-G233 PolarHBondContact O-N 2.96Å; N230-G233 PolarHBondContact OD1-N 2.95Å; N230-A234 PolarHBondContact O-N 2.7Å
231Y84.3Confident77.8Confident10 Ų1035 Ų354%0.03918%0.176CC..Hα-helixtrans-64.2-28.9-178.1-61.6-64.8000113.8E229 A234 Y235 L258 F261 L262 V386E229-Y231 VanDerWaalsContact C-N 3.28Å; E229-Y231 HydrophobicContact CB-CE2 3.97Å; E229-Y231 HydrophobicContact CG-CE2 4.4Å; E229-Y231 VanDerWaalsContact O-CD2 3.32Å; E229-Y231 WeakPolarHBondContact O-CD2 3.21Å; E229-Y231 PolarHBondContact O-N 3.32Å; E229-Y231 VanDerWaalsContact O-N 3.08Å; Y231-A234 PolarHBondContact O-N 3.26Å; Y231-Y235 WeakPolarHBondContact O-CB 3.12Å; Y231-Y235 PolarHBondContact O-N 2.6Å; Y231-L258 HydrophobicContact CD1-CD1 3.6Å; Y231-L258 HydrophobicContact CE1-CD1 4.31Å; Y231-L258 HydrophobicContact CG-CD1 4.47Å; Y231-F261 HydrophobicContact CE1-CD1 4.31Å; Y231-F261 AromaticContact CE1-CE1 3.93Å; Y231-F261 HydrophobicContact CE1-CE1 3.93Å; Y231-F261 AromaticContact CZ-CE1 3.79Å; Y231-L262 HydrophobicContact CD1-CD2 4.06Å; Y231-L262 HydrophobicContact CD2-CD2 3.86Å; Y231-L262 HydrophobicContact CE1-CD2 4.47Å; Y231-L262 HydrophobicContact CE2-CD2 4.31Å; Y231-L262 HydrophobicContact CG-CD1 4.4Å; Y231-L262 HydrophobicContact CG-CD2 3.72Å; Y231-V386 HydrophobicContact CD2-CG1 3.92Å; Y231-V386 HydrophobicContact CD2-CG2 4Å; Y231-V386 HydrophobicContact CE2-CG2 4.25Å
232E79.8Confident77.8Confident65 Ų6535.8 Ų35.830%0.30418%0.181SC..Hα-helixtrans-67.4-47.7175.9-170.8-168.9161.900111.3N230 A234 Y235 K236 F388N230-E232 VanDerWaalsContact C-N 3.27Å; N230-E232 PolarHBondContact O-N 3.35Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-Y235 PolarHBondContact O-N 3Å; E232-K236 HydrophobicContact CG-CD 4.4Å; E232-K236 WeakPolarHBondContact O-CG 3.37Å; E232-K236 PolarHBondContact O-N 3.46Å; E232-K236 WeakPolarHBondContact OE1-CE 3.36Å; E232-K236 IonicContact OE1-NZ 3.48Å; E232-K236 PolarHBondContact OE1-NZ 2.82Å; E232-F388 HydrophobicContact CB-CD2 4.04Å; E232-F388 HydrophobicContact CB-CE2 4.48Å; E232-F388 HydrophobicContact CG-CD2 4.27Å; E232-F388 HydrophobicContact CG-CE2 4.49Å
233G75.4Confident77.4Confident17 Ų1740.7 Ų40.718%0.17521%0.206CC..Hα-helixtrans-58.2-47.8172.900000110.9N230 Y235 K236 S237N230-G233 PolarHBondContact O-N 2.96Å; N230-G233 PolarHBondContact OD1-N 2.95Å; G233-Y235 VanDerWaalsContact C-N 3.33Å; G233-Y235 PolarHBondContact O-N 2.93Å; G233-K236 PolarHBondContact O-N 3.49Å; G233-S237 WeakPolarHBondContact O-CB 3.48Å; G233-S237 PolarHBondContact O-N 2.78Å; G233-S237 PolarHBondContact O-OG 2.99Å; G233-S237 VanDerWaalsContact O-OG 3.08Å
234A78.4Confident76.9Confident0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-56-45.6179.400000112.5L222 L225 R226 N230 Y231 E232 L238 L258L222-A234 HydrophobicContact CD1-CB 3.53Å; L225-A234 HydrophobicContact CB-CB 4.11Å; R226-A234 HydrophobicContact CG-CB 4.3Å; N230-A234 PolarHBondContact O-N 2.7Å; Y231-A234 PolarHBondContact O-N 3.26Å; E232-A234 VanDerWaalsContact C-N 3.33Å; A234-L238 WeakPolarHBondContact O-CB 3.38Å; A234-L238 WeakPolarHBondContact O-CG 3.45Å; A234-L238 PolarHBondContact O-N 2.86Å; A234-L258 HydrophobicContact CB-CD2 3.9Å
235Y81.6Confident76.4Confident30 Ų3041.1 Ų41.112%0.11821%0.208CC..Hα-helixtrans-64.6-47177.2175.1-96.7000112.4Y231 E232 G233 S237 L238 Q239 L255 F388 M390Y231-Y235 WeakPolarHBondContact O-CB 3.12Å; Y231-Y235 PolarHBondContact O-N 2.6Å; E232-Y235 PolarHBondContact O-N 3Å; G233-Y235 VanDerWaalsContact C-N 3.33Å; G233-Y235 PolarHBondContact O-N 2.93Å; Y235-S237 VanDerWaalsContact C-N 3.33Å; Y235-S237 PolarHBondContact O-N 3.06Å; Y235-L238 PolarHBondContact O-N 3.39Å; Y235-Q239 HydrophobicContact CD1-CG 4.19Å; Y235-Q239 HydrophobicContact CE1-CG 3.94Å; Y235-Q239 WeakPolarHBondContact O-CG 3.3Å; Y235-Q239 PolarHBondContact O-N 2.81Å; Y235-Q239 PolarHBondContact OH-NE2 3.06Å; Y235-L255 HydrophobicContact CD2-CD1 3.45Å; Y235-L255 VanDerWaalsContact CD2-CD1 3.45Å; Y235-L255 HydrophobicContact CE2-CD1 3.82Å; Y235-L255 HydrophobicContact CG-CD1 4.34Å; Y235-F388 AromaticContact CD1-CE2 3.81Å; Y235-F388 HydrophobicContact CD1-CE2 3.81Å; Y235-F388 AromaticContact CD1-CZ 3.63Å; Y235-F388 HydrophobicContact CD1-CZ 3.63Å; Y235-F388 HydrophobicContact CD2-CE1 4.17Å; Y235-F388 HydrophobicContact CD2-CE2 4.31Å; Y235-F388 AromaticContact CD2-CZ 3.41Å; Y235-F388 HydrophobicContact CD2-CZ 3.41Å; Y235-F388 VanDerWaalsContact CD2-CZ 3.41Å; Y235-F388 HydrophobicContact CE1-CZ 4.13Å; Y235-F388 AromaticContact CE2-CZ 3.92Å; Y235-F388 HydrophobicContact CE2-CZ 3.92Å; Y235-F388 HydrophobicContact CG-CE1 4.34Å; Y235-F388 AromaticContact CG-CE2 3.67Å; Y235-F388 HydrophobicContact CG-CE2 3.67Å; Y235-F388 AromaticContact CG-CZ 3.22Å; Y235-F388 HydrophobicContact CG-CZ 3.22Å; Y235-M390 HydrophobicContact CE2-SD 4.17Å; Y235-M390 PolarHBondContact OH-O 2.93Å
236K74.2Confident75.9Confident98 Ų9842.2 Ų42.243%0.42622%0.216SC..Hα-helixtrans-60.8-42.3178.2-74.7174173171.50111.6E232 G233 Q239 Y240E232-K236 HydrophobicContact CG-CD 4.4Å; E232-K236 WeakPolarHBondContact O-CG 3.37Å; E232-K236 PolarHBondContact O-N 3.46Å; E232-K236 WeakPolarHBondContact OE1-CE 3.36Å; E232-K236 IonicContact OE1-NZ 3.48Å; E232-K236 PolarHBondContact OE1-NZ 2.82Å; G233-K236 PolarHBondContact O-N 3.49Å; K236-Q239 PolarHBondContact O-N 2.74Å; K236-Y240 WeakPolarHBondContact O-CB 2.83Å; K236-Y240 PolarHBondContact O-N 3.45Å
237S72Confident75.5Confident22 Ų2243.9 Ų43.915%0.15423%0.225CC..Hα-helixtrans-63.6-39.8175.9-62.90000112.3G233 Y235 Y240 A241G233-S237 WeakPolarHBondContact O-CB 3.48Å; G233-S237 PolarHBondContact O-N 2.78Å; G233-S237 PolarHBondContact O-OG 2.99Å; G233-S237 VanDerWaalsContact O-OG 3.08Å; Y235-S237 VanDerWaalsContact C-N 3.33Å; Y235-S237 PolarHBondContact O-N 3.06Å; S237-Y240 PolarHBondContact O-N 3.42Å; S237-A241 PolarHBondContact O-N 3.49Å
238L76Confident75Confident4 Ų441.7 Ų41.72%0.02122%0.219CC..Hα-helixtrans-67.3-41.8175.1-80.5167.6000112.5L222 A234 Y235 Y240 A241 L242 T251 E254 L255 L258L222-L238 HydrophobicContact CD1-CD1 3.63Å; L222-L238 HydrophobicContact CD1-CG 3.9Å; L222-L238 HydrophobicContact CD2-CD1 3.96Å; L222-L238 HydrophobicContact CD2-CD2 3.68Å; L222-L238 HydrophobicContact CD2-CG 3.94Å; L222-L238 HydrophobicContact CG-CD1 4.44Å; L222-L238 HydrophobicContact CG-CG 4.49Å; A234-L238 WeakPolarHBondContact O-CB 3.38Å; A234-L238 WeakPolarHBondContact O-CG 3.45Å; A234-L238 PolarHBondContact O-N 2.86Å; Y235-L238 PolarHBondContact O-N 3.39Å; L238-Y240 VanDerWaalsContact C-N 3.3Å; L238-Y240 PolarHBondContact O-N 3Å; L238-A241 PolarHBondContact O-N 2.75Å; L238-L242 WeakPolarHBondContact O-CG 3.21Å; L238-L242 PolarHBondContact O-N 2.92Å; L238-T251 HydrophobicContact CD2-CG2 3.67Å; L238-E254 HydrophobicContact CD1-CB 4.34Å; L238-E254 HydrophobicContact CD2-CB 3.83Å; L238-L255 HydrophobicContact CB-CB 4.31Å; L238-L255 HydrophobicContact CB-CD1 3.91Å; L238-L255 HydrophobicContact CD1-CB 4.23Å; L238-L255 HydrophobicContact CD1-CD1 4.19Å; L238-L258 HydrophobicContact CD1-CD2 3.92Å
239Q74.5Confident74.7Confident82 Ų8243 Ų4338%0.38323%0.23SC..Hα-helixtrans-60.1-43.2173.1-73.7-172.2-44.800111.3Y235 K236 L242 L243Y235-Q239 HydrophobicContact CD1-CG 4.19Å; Y235-Q239 HydrophobicContact CE1-CG 3.94Å; Y235-Q239 WeakPolarHBondContact O-CG 3.3Å; Y235-Q239 PolarHBondContact O-N 2.81Å; Y235-Q239 PolarHBondContact OH-NE2 3.06Å; K236-Q239 PolarHBondContact O-N 2.74Å; Q239-L242 PolarHBondContact O-N 3.4Å; Q239-L243 PolarHBondContact O-N 2.94Å
240Y70Confident74.2Confident73 Ų7344.9 Ų44.929%0.28625%0.246SC..Hα-helixtrans-63.6-42.3176.6-171.7-107.2000112.5I218 K236 S237 L238 L242 L243 L244I218-Y240 HydrophobicContact CD1-CD1 4.38Å; K236-Y240 WeakPolarHBondContact O-CB 2.83Å; K236-Y240 PolarHBondContact O-N 3.45Å; S237-Y240 PolarHBondContact O-N 3.42Å; L238-Y240 VanDerWaalsContact C-N 3.3Å; L238-Y240 PolarHBondContact O-N 3Å; Y240-L242 VanDerWaalsContact C-N 3.27Å; Y240-L242 PolarHBondContact O-N 3Å; Y240-L243 HydrophobicContact CD2-CD1 4.44Å; Y240-L243 WeakPolarHBondContact O-CB 3.38Å; Y240-L243 PolarHBondContact O-N 3Å; Y240-L244 HydrophobicContact CD1-CD1 4.07Å; Y240-L244 HydrophobicContact CE1-CD1 3.58Å; Y240-L244 HydrophobicContact CE1-CG 4.18Å; Y240-L244 PolarHBondContact O-N 2.91Å; Y240-L244 VanDerWaalsContact O-N 3.13Å
241A69.8Low73.8Confident9 Ų942.5 Ų42.57%0.07423%0.234CC..Hα-helixtrans-60.1-36.2173.400000113.1I218 S237 L238 L243 L244 N245 T251I218-A241 HydrophobicContact CD1-CB 3.69Å; I218-A241 HydrophobicContact CG2-CB 3.99Å; S237-A241 PolarHBondContact O-N 3.49Å; L238-A241 PolarHBondContact O-N 2.75Å; A241-L243 VanDerWaalsContact C-N 3.31Å; A241-L244 PolarHBondContact O-N 3.06Å; A241-N245 PolarHBondContact O-N 3.4Å; A241-T251 HydrophobicContact CB-CG2 3.59Å
242L71.9Confident73.5Confident33 Ų3347.5 Ų47.517%0.17325%0.253CS..Hα-helixtrans-71.9-24.2174.5-67.7177000112.9L238 Q239 Y240 N245 P246 T251 R252 L255L238-L242 WeakPolarHBondContact O-CG 3.21Å; L238-L242 PolarHBondContact O-N 2.92Å; Q239-L242 PolarHBondContact O-N 3.4Å; Y240-L242 VanDerWaalsContact C-N 3.27Å; Y240-L242 PolarHBondContact O-N 3Å; L242-N245 CarbonylContact O-C 3.48Å; L242-P246 WeakPolarHBondContact O-CA 3.16Å; L242-P246 WeakPolarHBondContact O-CG 3.26Å; L242-P246 VanDerWaalsContact O-N 3.12Å; L242-T251 HydrophobicContact CD2-CG2 3.64Å; L242-T251 HydrophobicContact CG-CG2 3.73Å; L242-R252 HydrophobicContact CD1-CG 4.15Å; L242-R252 HydrophobicContact CD2-CB 4.42Å; L242-R252 HydrophobicContact CD2-CG 3.37Å; L242-R252 HydrophobicContact CG-CG 4.43Å; L242-L255 HydrophobicContact CD1-CD2 3.52Å
243L67.5Low73.7Confident106 Ų10647.7 Ų47.756%0.55526%0.261SS*.Hα-helixtrans-71-38.4170.6-69.3168.4000111.3Q239 Y240 A241Q239-L243 PolarHBondContact O-N 2.94Å; Y240-L243 HydrophobicContact CD2-CD1 4.44Å; Y240-L243 WeakPolarHBondContact O-CB 3.38Å; Y240-L243 PolarHBondContact O-N 3Å; A241-L243 VanDerWaalsContact C-N 3.31Å
244L65.3Low74.1Confident23 Ų2348.3 Ų48.312%0.1226%0.259CS..Hα-helixtrans-77.4-37.1179.9-65.5179000113.3F20 L21 Y210 Y240 A241F20-L244 VanDerWaalsContact CD2-O 3.28Å; F20-L244 WeakPolarHBondContact CD2-O 3.03Å; L21-L244 HydrophobicContact CD1-CD2 4.43Å; Y210-L244 HydrophobicContact CD1-CD1 4.38Å; Y210-L244 HydrophobicContact CE1-CD1 4.18Å; Y240-L244 HydrophobicContact CD1-CD1 4.07Å; Y240-L244 HydrophobicContact CE1-CD1 3.58Å; Y240-L244 HydrophobicContact CE1-CG 4.18Å; Y240-L244 PolarHBondContact O-N 2.91Å; Y240-L244 VanDerWaalsContact O-N 3.13Å; A241-L244 PolarHBondContact O-N 3.06Å
245N68.6Low74.3Confident44 Ų4449.6 Ų49.624%0.23527%0.266CS..  trans-137.284.7174.4-175.5-9.9000109.6A241 L242 H247 S248A241-N245 PolarHBondContact O-N 3.4Å; L242-N245 CarbonylContact O-C 3.48Å; N245-H247 PolarHBondContact O-N 3.23Å; N245-H247 VanDerWaalsContact O-N 3.08Å; N245-H247 PolarHBondContact OD1-N 3.36Å; N245-S248 PolarHBondContact O-N 3.37Å; N245-S248 PolarHBondContact OD1-N 3.13Å
246P71.5Confident74.5Confident32 Ų3255.6 Ų55.621%0.20829%0.293CS..THydrogen-bonded Turntrans-55.1-31-179-2634.3000112.8F20 L242 R252F20-P246 HydrophobicContact CB-CG 4.2Å; F20-P246 HydrophobicContact CD1-CG 4.45Å; F20-P246 HydrophobicContact CG-CG 4.37Å; L242-P246 WeakPolarHBondContact O-CA 3.16Å; L242-P246 WeakPolarHBondContact O-CG 3.26Å; L242-P246 VanDerWaalsContact O-N 3.12Å; P246-R252 PolarHBondContact O-NE 2.85Å; P246-R252 PolarHBondContact O-NH1 3.31Å
247H73.5Confident75.2Confident62 Ų6251.3 Ų51.329%0.28728%0.275SS..THydrogen-bonded Turntrans-86.6-5.3-171.9-64.1-58.8000115.2F20 A26 P28 N245 A249 R252F20-H247 AromaticContact CE1-CD2 3.94Å; A26-H247 PolarHBondContact O-CD2 3.1Å; A26-H247 PolarHBondContact O-NE2 2.9Å; P28-H247 HydrophobicContact CG-CB 3.64Å; N245-H247 PolarHBondContact O-N 3.23Å; N245-H247 VanDerWaalsContact O-N 3.08Å; N245-H247 PolarHBondContact OD1-N 3.36Å; H247-A249 PolarHBondContact O-N 3.03Å; H247-R252 VanDerWaalsContact C-NH2 3.26Å; H247-R252 PolarHBondContact O-NH2 3.27Å
248S71.1Confident75.9Confident18 Ų1850.5 Ų50.513%0.12627%0.269CS..  trans-59.9103.3-179.2178.90000112.3N245 S250 T251 R252N245-S248 PolarHBondContact O-N 3.37Å; N245-S248 PolarHBondContact OD1-N 3.13Å; S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 2.83Å; S248-T251 WeakPolarHBondContact CB-OG1 3.49Å; S248-T251 PolarHBondContact O-N 2.92Å; S248-T251 WeakPolarHBondContact OG-CB 3.37Å; S248-T251 PolarHBondContact OG-N 3.45Å; S248-T251 PolarHBondContact OG-OG1 3.15Å; S248-R252 PolarHBondContact O-N 3.2Å; S248-R252 VanDerWaalsContact O-N 3.08Å
249A76.1Confident76.4Confident75 Ų7550.8 Ų50.862%0.6227%0.271SS*.Hα-helixtrans-61.7-38.3176.600000111.7H247 S253H247-A249 PolarHBondContact O-N 3.03Å; A249-S253 WeakPolarHBondContact O-CB 3.44Å; A249-S253 PolarHBondContact O-N 2.9Å
250S73.2Confident77.2Confident68 Ų6848.8 Ų48.848%0.47627%0.266SS..Hα-helixtrans-61-52177.1-173.80000111.2S248 R252 S253 E254S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 2.83Å; S250-R252 PolarHBondContact O-N 3.44Å; S250-S253 WeakPolarHBondContact O-CB 3.41Å; S250-S253 PolarHBondContact O-N 2.66Å; S250-E254 WeakPolarHBondContact O-CG 3.5Å; S250-E254 PolarHBondContact O-N 2.5Å
251T75.6Confident78.1Confident21 Ų2145.7 Ų45.713%0.12925%0.254CS..Hα-helixtrans-62.3-42-179.8-51.80000111.8L238 A241 L242 S248 S253 E254 L255L238-T251 HydrophobicContact CD2-CG2 3.67Å; A241-T251 HydrophobicContact CB-CG2 3.59Å; L242-T251 HydrophobicContact CD2-CG2 3.64Å; L242-T251 HydrophobicContact CG-CG2 3.73Å; S248-T251 WeakPolarHBondContact CB-OG1 3.49Å; S248-T251 PolarHBondContact O-N 2.92Å; S248-T251 WeakPolarHBondContact OG-CB 3.37Å; S248-T251 PolarHBondContact OG-N 3.45Å; S248-T251 PolarHBondContact OG-OG1 3.15Å; T251-S253 VanDerWaalsContact C-N 3.35Å; T251-S253 PolarHBondContact O-N 3.01Å; T251-E254 PolarHBondContact O-N 3.38Å; T251-L255 PolarHBondContact O-N 3Å
252R78.1Confident79Confident116 Ų11646.2 Ų46.244%0.43826%0.255SS..Hα-helixtrans-63.5-40.6176.1-74.2-170.1-85.8-1438.3112.1L242 P246 H247 S248 S250 L255 K256L242-R252 HydrophobicContact CD1-CG 4.15Å; L242-R252 HydrophobicContact CD2-CB 4.42Å; L242-R252 HydrophobicContact CD2-CG 3.37Å; L242-R252 HydrophobicContact CG-CG 4.43Å; P246-R252 PolarHBondContact O-NE 2.85Å; P246-R252 PolarHBondContact O-NH1 3.31Å; H247-R252 VanDerWaalsContact C-NH2 3.26Å; H247-R252 PolarHBondContact O-NH2 3.27Å; S248-R252 PolarHBondContact O-N 3.2Å; S248-R252 VanDerWaalsContact O-N 3.08Å; S250-R252 PolarHBondContact O-N 3.44Å; R252-L255 PolarHBondContact O-N 2.77Å; R252-K256 WeakPolarHBondContact O-CB 3.14Å; R252-K256 PolarHBondContact O-N 3.25Å
253S83.3Confident79.8Confident68 Ų6850.2 Ų50.248%0.47627%0.268SS..Hα-helixtrans-63.8-44.2175.5-166.90000111.5A249 S250 T251 K256 T257A249-S253 WeakPolarHBondContact O-CB 3.44Å; A249-S253 PolarHBondContact O-N 2.9Å; S250-S253 WeakPolarHBondContact O-CB 3.41Å; S250-S253 PolarHBondContact O-N 2.66Å; T251-S253 VanDerWaalsContact C-N 3.35Å; T251-S253 PolarHBondContact O-N 3.01Å; S253-K256 PolarHBondContact O-N 3.21Å; S253-T257 WeakPolarHBondContact O-CB 3.48Å; S253-T257 PolarHBondContact O-N 2.9Å; S253-T257 PolarHBondContact O-OG1 3.36Å
254E83Confident80.9Confident30 Ų3047.5 Ų47.514%0.1426%0.255CS..Hα-helixtrans-61.9-44.8176.5-70.6-62.9158.400112L222 R226 L238 S250 T251 K256 T257 L258 K340L222-E254 HydrophobicContact CD2-CB 4.09Å; L222-E254 HydrophobicContact CD2-CG 4.23Å; R226-E254 IonicContact NH1-OE2 3.64Å; R226-E254 PolarHBondContact NH1-OE2 3.39Å; L238-E254 HydrophobicContact CD1-CB 4.34Å; L238-E254 HydrophobicContact CD2-CB 3.83Å; S250-E254 WeakPolarHBondContact O-CG 3.5Å; S250-E254 PolarHBondContact O-N 2.5Å; T251-E254 PolarHBondContact O-N 3.38Å; E254-K256 PolarHBondContact O-N 3.4Å; E254-T257 WeakPolarHBondContact O-CB 3.25Å; E254-T257 PolarHBondContact O-N 3.03Å; E254-L258 WeakPolarHBondContact O-CB 3.14Å; E254-L258 PolarHBondContact O-N 3.06Å; E254-K340 WeakPolarHBondContact OE1-CE 3.41Å; E254-K340 IonicContact OE1-NZ 3.09Å; E254-K340 PolarHBondContact OE1-NZ 2.64Å; E254-K340 VanDerWaalsContact OE2-CE 3.31Å; E254-K340 WeakPolarHBondContact OE2-CE 3.47Å; E254-K340 IonicContact OE2-NZ 2.8Å
255L83Confident82Confident28 Ų2847.2 Ų47.215%0.14725%0.254CS..Hα-helixtrans-61-46.1176-176.864.2000111.6Y235 L238 L242 T251 R252 T257 L258 C259Y235-L255 HydrophobicContact CD2-CD1 3.45Å; Y235-L255 VanDerWaalsContact CD2-CD1 3.45Å; Y235-L255 HydrophobicContact CE2-CD1 3.82Å; Y235-L255 HydrophobicContact CG-CD1 4.34Å; L238-L255 HydrophobicContact CB-CB 4.31Å; L238-L255 HydrophobicContact CB-CD1 3.91Å; L238-L255 HydrophobicContact CD1-CB 4.23Å; L238-L255 HydrophobicContact CD1-CD1 4.19Å; L242-L255 HydrophobicContact CD1-CD2 3.52Å; T251-L255 PolarHBondContact O-N 3Å; R252-L255 PolarHBondContact O-N 2.77Å; L255-T257 VanDerWaalsContact C-N 3.29Å; L255-T257 PolarHBondContact O-N 3.05Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-C259 WeakPolarHBondContact O-CB 2.98Å; L255-C259 PolarHBondContact O-N 3Å; L255-C259 PolarHBondContact O-SG 2.7Å
256K87.3Confident82.9Confident156 Ų15649.3 Ų49.368%0.67826%0.262SS*.Hα-helixtrans-60-41.6175.7-174.2-178.8176.2-173.30111.6R252 S253 E254 C259 S260R252-K256 WeakPolarHBondContact O-CB 3.14Å; R252-K256 PolarHBondContact O-N 3.25Å; S253-K256 PolarHBondContact O-N 3.21Å; E254-K256 PolarHBondContact O-N 3.4Å; K256-C259 PolarHBondContact O-N 3.42Å; K256-S260 WeakPolarHBondContact O-CB 3.36Å; K256-S260 PolarHBondContact O-N 3.12Å
257T88.1Confident83.7Confident7 Ų748.6 Ų48.64%0.04326%0.259CS..Hα-helixtrans-64.4-51.9180-55.60000111.4S253 E254 L255 C259 S260 F261 E339 K340S253-T257 WeakPolarHBondContact O-CB 3.48Å; S253-T257 PolarHBondContact O-N 2.9Å; S253-T257 PolarHBondContact O-OG1 3.36Å; E254-T257 WeakPolarHBondContact O-CB 3.25Å; E254-T257 PolarHBondContact O-N 3.03Å; L255-T257 VanDerWaalsContact C-N 3.29Å; L255-T257 PolarHBondContact O-N 3.05Å; T257-C259 VanDerWaalsContact C-N 3.26Å; T257-C259 PolarHBondContact O-N 2.82Å; T257-S260 PolarHBondContact O-N 3.33Å; T257-F261 WeakPolarHBondContact O-CB 3.47Å; T257-F261 PolarHBondContact O-N 3.06Å; T257-E339 HydrophobicContact CG2-CB 3.95Å; T257-E339 PolarHBondContact OG1-OE2 3.11Å; T257-K340 HydrophobicContact CG2-CG 3.89Å
258L86.1Confident84.3Confident5 Ų547.4 Ų47.43%0.02625%0.254CS..Hα-helixtrans-56.1-46.2175.9173.862.4000110.2Y231 A234 L238 E254 L255 S260 F261 L262Y231-L258 HydrophobicContact CD1-CD1 3.6Å; Y231-L258 HydrophobicContact CE1-CD1 4.31Å; Y231-L258 HydrophobicContact CG-CD1 4.47Å; A234-L258 HydrophobicContact CB-CD2 3.9Å; L238-L258 HydrophobicContact CD1-CD2 3.92Å; E254-L258 WeakPolarHBondContact O-CB 3.14Å; E254-L258 PolarHBondContact O-N 3.06Å; L255-L258 PolarHBondContact O-N 3.1Å; L258-S260 PolarHBondContact O-N 3.42Å; L258-F261 PolarHBondContact O-N 3.2Å; L258-L262 HydrophobicContact CD1-CD1 3.99Å; L258-L262 HydrophobicContact CD1-CG 4.25Å; L258-L262 HydrophobicContact CG-CD1 4.21Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 2.93Å; L258-L262 VanDerWaalsContact O-N 3.07Å
259C87.9Confident85.1Confident10 Ų1048.8 Ų48.87%0.06826%0.261CS..Hα-helixtrans-65.5-42.4-178.2-72.50000112.9L255 K256 T257 F261 R263 M390L255-C259 WeakPolarHBondContact O-CB 2.98Å; L255-C259 PolarHBondContact O-N 3Å; L255-C259 PolarHBondContact O-SG 2.7Å; K256-C259 PolarHBondContact O-N 3.42Å; T257-C259 VanDerWaalsContact C-N 3.26Å; T257-C259 PolarHBondContact O-N 2.82Å; C259-F261 VanDerWaalsContact C-N 3.35Å; C259-R263 WeakPolarHBondContact O-CB 3.47Å; C259-R263 WeakPolarHBondContact O-CG 3.28Å; C259-R263 PolarHBondContact O-N 3.46Å; C259-R263 VanDerWaalsContact O-N 3.09Å; C259-M390 HydrophobicContact CB-CE 3.44Å; C259-M390 VanDerWaalsContact CB-CE 3.44Å; C259-M390 HydrophobicContact CB-SD 3.97Å; C259-M390 WeakPolarHBondContact O-CE 3.37Å; C259-M390 VanDerWaalsContact SG-CE 3.58Å; C259-M390 PolarHBondContact SG-SD 3.4Å
260S89.7Confident85.5Confident41 Ų4151 Ų5129%0.28726%0.259SS..Hα-helixtrans-64.2-41.4175.7-1700000111.5K256 T257 L258 R263 N264K256-S260 WeakPolarHBondContact O-CB 3.36Å; K256-S260 PolarHBondContact O-N 3.12Å; T257-S260 PolarHBondContact O-N 3.33Å; L258-S260 PolarHBondContact O-N 3.42Å; S260-R263 PolarHBondContact O-N 3.01Å; S260-N264 WeakPolarHBondContact O-CB 3.42Å; S260-N264 PolarHBondContact O-N 3.18Å; S260-N264 PolarHBondContact O-ND2 2.95Å; S260-N264 PolarHBondContact O-OD1 3.24Å
261F90.1Very high85.9Confident8 Ų854.3 Ų54.34%0.03526%0.261CS..Hα-helixtrans-59.5-50.1178.2172.2-108.3000111.8Y231 T257 L258 C259 R263 N264 C265 V336 N338 P343 A345Y231-F261 HydrophobicContact CE1-CD1 4.31Å; Y231-F261 AromaticContact CE1-CE1 3.93Å; Y231-F261 HydrophobicContact CE1-CE1 3.93Å; Y231-F261 AromaticContact CZ-CE1 3.79Å; T257-F261 WeakPolarHBondContact O-CB 3.47Å; T257-F261 PolarHBondContact O-N 3.06Å; L258-F261 PolarHBondContact O-N 3.2Å; C259-F261 VanDerWaalsContact C-N 3.35Å; F261-R263 PolarHBondContact O-N 3.3Å; F261-N264 WeakPolarHBondContact O-CB 3.42Å; F261-N264 PolarHBondContact O-N 3.16Å; F261-C265 PolarHBondContact O-N 2.96Å; F261-C265 PolarHBondContact O-SG 3.27Å; F261-V336 HydrophobicContact CD2-CG1 4.35Å; F261-V336 HydrophobicContact CE2-CG1 4.23Å; F261-N338 HydrophobicContact CD2-CB 3.69Å; F261-N338 HydrophobicContact CE2-CB 3.97Å; F261-P343 HydrophobicContact CZ-CG 4.03Å; F261-A345 HydrophobicContact CE2-CB 3.82Å; F261-A345 HydrophobicContact CZ-CB 4.09Å
262L88.8Confident86.1Confident19 Ų1955.8 Ų55.810%0.09927%0.265CS..Hα-helixtrans-65.3-40.4-179.6-64.7174.1000112.5Y231 L258 N264 C265 Q266 F388 M390Y231-L262 HydrophobicContact CD1-CD2 4.06Å; Y231-L262 HydrophobicContact CD2-CD2 3.86Å; Y231-L262 HydrophobicContact CE1-CD2 4.47Å; Y231-L262 HydrophobicContact CE2-CD2 4.31Å; Y231-L262 HydrophobicContact CG-CD1 4.4Å; Y231-L262 HydrophobicContact CG-CD2 3.72Å; L258-L262 HydrophobicContact CD1-CD1 3.99Å; L258-L262 HydrophobicContact CD1-CG 4.25Å; L258-L262 HydrophobicContact CG-CD1 4.21Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 2.93Å; L258-L262 VanDerWaalsContact O-N 3.07Å; L262-N264 VanDerWaalsContact C-N 3.32Å; L262-N264 PolarHBondContact O-N 3.18Å; L262-C265 WeakPolarHBondContact O-CB 3.45Å; L262-C265 PolarHBondContact O-N 3.02Å; L262-Q266 PolarHBondContact O-N 3.04Å; L262-F388 HydrophobicContact CD1-CD1 3.29Å; L262-F388 HydrophobicContact CD1-CE1 3.52Å; L262-F388 HydrophobicContact CD1-CG 3.98Å; L262-F388 HydrophobicContact CD1-CZ 4.46Å; L262-F388 HydrophobicContact CG-CD1 4.48Å; L262-M390 HydrophobicContact CB-CE 4.04Å; L262-M390 HydrophobicContact CD1-CE 4.35Å
263R88.6Confident85.7Confident117 Ų11750.9 Ų50.944%0.44225%0.251SS..Hα-helixtrans-63.6-38173.8-72.8179.4-175.5130.4-0.4111.7C259 S260 F261 A267 M390 D391C259-R263 WeakPolarHBondContact O-CB 3.47Å; C259-R263 WeakPolarHBondContact O-CG 3.28Å; C259-R263 PolarHBondContact O-N 3.46Å; C259-R263 VanDerWaalsContact O-N 3.09Å; S260-R263 PolarHBondContact O-N 3.01Å; F261-R263 PolarHBondContact O-N 3.3Å; R263-A267 VanDerWaalsContact O-CB 3.26Å; R263-A267 WeakPolarHBondContact O-CB 3.23Å; R263-A267 PolarHBondContact O-N 3.31Å; R263-M390 HydrophobicContact CG-CE 4.05Å; R263-D391 IonicContact NH2-OD2 3.22Å; R263-D391 PolarHBondContact NH2-OD2 3.1Å; R263-D391 VanDerWaalsContact NH2-OD2 3.09Å
264N89.5Confident85.1Confident50 Ų5053.2 Ų53.227%0.26725%0.254SS..Hα-helixtrans-65.5-46.1174.7-66.2-18.7000111S260 F261 L262 Q266 A267 E268 V336 R337S260-N264 WeakPolarHBondContact O-CB 3.42Å; S260-N264 PolarHBondContact O-N 3.18Å; S260-N264 PolarHBondContact O-ND2 2.95Å; S260-N264 PolarHBondContact O-OD1 3.24Å; F261-N264 WeakPolarHBondContact O-CB 3.42Å; F261-N264 PolarHBondContact O-N 3.16Å; L262-N264 VanDerWaalsContact C-N 3.32Å; L262-N264 PolarHBondContact O-N 3.18Å; N264-Q266 PolarHBondContact O-N 3.1Å; N264-A267 PolarHBondContact O-N 3.05Å; N264-E268 WeakPolarHBondContact O-CG 3.39Å; N264-E268 PolarHBondContact O-N 2.96Å; N264-V336 HydrophobicContact CB-CG1 3.81Å; N264-R337 PolarHBondContact ND2-O 3.07Å; N264-R337 VanDerWaalsContact ND2-O 3.16Å
265C88.9Confident84.5Confident16 Ų1652.8 Ų52.811%0.10825%0.254CS..Hα-helixtrans-53.5-51.6174-72.70000111.5F261 L262 E268 V269 V358F261-C265 PolarHBondContact O-N 2.96Å; F261-C265 PolarHBondContact O-SG 3.27Å; L262-C265 WeakPolarHBondContact O-CB 3.45Å; L262-C265 PolarHBondContact O-N 3.02Å; C265-E268 PolarHBondContact O-N 2.87Å; C265-V269 VanDerWaalsContact O-CG2 3.29Å; C265-V269 WeakPolarHBondContact O-CG2 2.92Å; C265-V269 PolarHBondContact O-N 3.09Å; C265-V269 VanDerWaalsContact O-N 3.09Å; C265-V358 HydrophobicContact CB-CG2 4.23Å
266Q88.1Confident83.7Confident88 Ų8861.6 Ų61.641%0.41129%0.285SS..Hα-helixtrans-61.3-48.2179.8-178.6177.82.800111.7L262 N264 E268 V269 E270L262-Q266 PolarHBondContact O-N 3.04Å; N264-Q266 PolarHBondContact O-N 3.1Å; Q266-E268 VanDerWaalsContact C-N 3.35Å; Q266-E268 PolarHBondContact O-N 3.43Å; Q266-V269 PolarHBondContact O-N 2.95Å; Q266-E270 HydrophobicContact CG-CG 4.28Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.29Å; Q266-E270 PolarHBondContact NE2-OE1 2.84Å; Q266-E270 WeakPolarHBondContact O-CB 3.47Å; Q266-E270 WeakPolarHBondContact O-CG 3.28Å; Q266-E270 PolarHBondContact O-N 3.42Å
267A87.3Confident82.6Confident17 Ų1762.9 Ų62.914%0.1429%0.286CS..Hα-helixtrans-61.5-41-179.200000112.4R263 N264 R271R263-A267 VanDerWaalsContact O-CB 3.26Å; R263-A267 WeakPolarHBondContact O-CB 3.23Å; R263-A267 PolarHBondContact O-N 3.31Å; N264-A267 PolarHBondContact O-N 3.05Å; A267-R271 VanDerWaalsContact O-CB 3.26Å; A267-R271 WeakPolarHBondContact O-CB 3.48Å; A267-R271 VanDerWaalsContact O-CG 3.25Å; A267-R271 WeakPolarHBondContact O-CG 3.44Å; A267-R271 PolarHBondContact O-N 3.26Å
268E87.2Confident81.6Confident37 Ų3770.6 Ų70.617%0.17332%0.318CS..Hα-helixtrans-69.5-34.9178.5-67.4-51.1140.100112.5N264 C265 Q266 K272 G273 H274 A334 V336N264-E268 WeakPolarHBondContact O-CG 3.39Å; N264-E268 PolarHBondContact O-N 2.96Å; C265-E268 PolarHBondContact O-N 2.87Å; Q266-E268 VanDerWaalsContact C-N 3.35Å; Q266-E268 PolarHBondContact O-N 3.43Å; E268-K272 WeakPolarHBondContact O-CA 2.97Å; E268-K272 PolarHBondContact O-N 3.25Å; E268-G273 PolarHBondContact O-N 3.23Å; E268-H274 IonicContact OE1-CE1 2.66Å; E268-H274 IonicContact OE2-CE1 3.87Å; E268-H274 IonicContact OE2-ND1 3.61Å; E268-A334 HydrophobicContact CB-CB 4.11Å; E268-A334 HydrophobicContact CG-CB 4.11Å; E268-A334 VanDerWaalsContact OE2-CB 3.25Å; E268-A334 WeakPolarHBondContact OE2-CB 3.45Å; E268-V336 HydrophobicContact CB-CG2 4.33Å; E268-V336 HydrophobicContact CG-CG2 4.31Å
269V86.3Confident80.9Confident47 Ų4776.5 Ų76.529%0.28534%0.341SS..Hα-helixtrans-67.8-49.2173.4172.20000111.4C265 Q266 R271 K272 C356 V358C265-V269 VanDerWaalsContact O-CG2 3.29Å; C265-V269 WeakPolarHBondContact O-CG2 2.92Å; C265-V269 PolarHBondContact O-N 3.09Å; C265-V269 VanDerWaalsContact O-N 3.09Å; Q266-V269 PolarHBondContact O-N 2.95Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-R271 PolarHBondContact O-N 3.13Å; V269-K272 PolarHBondContact O-N 2.62Å; V269-C356 HydrophobicContact CG1-CB 4.31Å; V269-V358 HydrophobicContact CG2-CG2 3.35Å
270E84.6Confident79.8Confident122 Ų12276.9 Ų76.957%0.5734%0.342SS*.Hα-helixtrans-62.8-39.8-179.7-74.8177.7-178.500112.1Q266 K272Q266-E270 HydrophobicContact CG-CG 4.28Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.29Å; Q266-E270 PolarHBondContact NE2-OE1 2.84Å; Q266-E270 WeakPolarHBondContact O-CB 3.47Å; Q266-E270 WeakPolarHBondContact O-CG 3.28Å; Q266-E270 PolarHBondContact O-N 3.42Å; E270-K272 VanDerWaalsContact C-N 3.33Å
271R83Confident78.5Confident138 Ų13878.3 Ų78.352%0.52135%0.352SS..THydrogen-bonded Turntrans-85.4-4.7178.8-63-179.3-163.4143.88.4113.5A267 V269 G273 H274A267-R271 VanDerWaalsContact O-CB 3.26Å; A267-R271 WeakPolarHBondContact O-CB 3.48Å; A267-R271 VanDerWaalsContact O-CG 3.25Å; A267-R271 WeakPolarHBondContact O-CG 3.44Å; A267-R271 PolarHBondContact O-N 3.26Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-R271 PolarHBondContact O-N 3.13Å; R271-G273 PolarHBondContact O-N 3.1Å; R271-H274 WeakPolarHBondContact CD-NE2 3.28Å; R271-H274 PolarHBondContact NH1-NE2 3.01Å; R271-H274 PolarHBondContact O-N 3.34Å
272K78.5Confident77.5Confident51 Ų5183.8 Ų83.822%0.22238%0.378CS..G310 helixtrans51.444.8-176.7-64.2176.9171.3-172.80112.1E268 V269 E270 H274 V275 L280 M349 D354 C356E268-K272 WeakPolarHBondContact O-CA 2.97Å; E268-K272 PolarHBondContact O-N 3.25Å; V269-K272 PolarHBondContact O-N 2.62Å; E270-K272 VanDerWaalsContact C-N 3.33Å; K272-H274 PolarHBondContact O-N 3.23Å; K272-V275 PolarHBondContact O-N 2.92Å; K272-L280 HydrophobicContact CB-CD1 4.29Å; K272-L280 HydrophobicContact CD-CD1 4.2Å; K272-M349 HydrophobicContact CB-CE 4.44Å; K272-M349 HydrophobicContact CB-SD 3.73Å; K272-M349 HydrophobicContact CD-CE 3.9Å; K272-M349 HydrophobicContact CD-SD 4.28Å; K272-M349 HydrophobicContact CG-CE 4.27Å; K272-M349 HydrophobicContact CG-SD 4.02Å; K272-D354 WeakPolarHBondContact CE-O 3.47Å; K272-D354 PolarHBondContact NZ-O 3.03Å; K272-D354 IonicContact NZ-OD1 3.17Å; K272-D354 PolarHBondContact NZ-OD1 3.45Å; K272-D354 IonicContact NZ-OD2 3.48Å; K272-C356 HydrophobicContact CG-CB 4.46Å
273G70.2Confident76.4Confident13 Ų1383.8 Ų83.813%0.13438%0.378CS..G310 helixtrans61.124.1-176.700000115.8E268 R271 V275E268-G273 PolarHBondContact O-N 3.23Å; R271-G273 PolarHBondContact O-N 3.1Å; G273-V275 PolarHBondContact O-N 2.84Å; G273-V275 VanDerWaalsContact O-N 3.12Å
274H71.2Confident75Confident117 Ų11778.8 Ų78.854%0.54236%0.361SS..G310 helixtrans62.114.8-177.4-50.276.1000114E268 R271 K272 R276E268-H274 IonicContact OE1-CE1 2.66Å; E268-H274 IonicContact OE2-CE1 3.87Å; E268-H274 IonicContact OE2-ND1 3.61Å; R271-H274 WeakPolarHBondContact CD-NE2 3.28Å; R271-H274 PolarHBondContact NH1-NE2 3.01Å; R271-H274 PolarHBondContact O-N 3.34Å; K272-H274 PolarHBondContact O-N 3.23Å; H274-R276 PolarHBondContact O-N 3.12Å
275V69.6Low73.6Confident22 Ų2280.1 Ų80.113%0.13337%0.371CS..  trans-76.3120.3-179.8-172.60000108.8K272 G273 R277 R279 L280 L283 V333K272-V275 PolarHBondContact O-N 2.92Å; G273-V275 PolarHBondContact O-N 2.84Å; G273-V275 VanDerWaalsContact O-N 3.12Å; V275-R277 PolarHBondContact O-N 3.38Å; V275-R279 HydrophobicContact CG1-CB 3.87Å; V275-R279 HydrophobicContact CG1-CG 4.01Å; V275-L280 HydrophobicContact CB-CD1 4.47Å; V275-L280 HydrophobicContact CB-CD2 3.66Å; V275-L280 HydrophobicContact CB-CG 3.74Å; V275-L280 HydrophobicContact CG1-CB 4.43Å; V275-L280 HydrophobicContact CG1-CD2 3.75Å; V275-L280 HydrophobicContact CG1-CG 3.64Å; V275-L280 HydrophobicContact CG2-CD2 4.36Å; V275-L280 WeakPolarHBondContact O-CD1 3.36Å; V275-L283 HydrophobicContact CG1-CD1 3.93Å; V275-V333 HydrophobicContact CG2-CB 4.08Å; V275-V333 HydrophobicContact CG2-CG1 4.28Å
276R65.9Low72.1Confident212 Ų21280.6 Ų80.680%0.838%0.375SS*.  trans-55.6138.8175.7-71.5-176.5177.2179.7-0.8110.1H274 K278 R279 L280H274-R276 PolarHBondContact O-N 3.12Å; R276-K278 PolarHBondContact O-N 2.99Å; R276-R279 WeakPolarHBondContact O-CA 3.31Å; R276-R279 WeakPolarHBondContact O-CB 3.21Å; R276-R279 PolarHBondContact O-N 3.36Å; R276-L280 PolarHBondContact O-N 3.09Å
277R64.9Low70.5Confident183 Ų18376.7 Ų76.769%0.69136%0.358SS*.Hα-helixtrans-48-38.9-178-148176-166.9-179.83.5114.5V275 L280 S281 D354V275-R277 PolarHBondContact O-N 3.38Å; R277-L280 WeakPolarHBondContact O-CB 2.81Å; R277-L280 PolarHBondContact O-N 3.38Å; R277-S281 PolarHBondContact O-N 3.13Å; R277-S281 VanDerWaalsContact O-N 3.13Å; R277-S281 PolarHBondContact O-OG 3.13Å; R277-D354 IonicContact NE-OD2 2.93Å; R277-D354 IonicContact NH2-OD2 3.97Å; R277-D354 PolarHBondContact NH2-OD2 3.5Å
278K67.4Low68.9Low169 Ų16980.8 Ų80.874%0.73538%0.381SS*.Hα-helixtrans-65.3-37.9176.5-166.8176.9-177.7179.60113.2R276 Q282R276-K278 PolarHBondContact O-N 2.99Å; K278-Q282 WeakPolarHBondContact O-CG 3.36Å; K278-Q282 PolarHBondContact O-N 2.94Å
279R70.4Confident67.2Low130 Ų13086.6 Ų86.649%0.49141%0.408SS..Hα-helixtrans-76.6-34.4176.7-169.8170.4-177.51541.7110.9V275 R276 S281 Q282 L283 E373V275-R279 HydrophobicContact CG1-CB 3.87Å; V275-R279 HydrophobicContact CG1-CG 4.01Å; R276-R279 WeakPolarHBondContact O-CA 3.31Å; R276-R279 WeakPolarHBondContact O-CB 3.21Å; R276-R279 PolarHBondContact O-N 3.36Å; R279-S281 VanDerWaalsContact C-N 3.34Å; R279-S281 PolarHBondContact O-N 3.26Å; R279-Q282 PolarHBondContact O-N 3.45Å; R279-Q282 VanDerWaalsContact O-N 3.13Å; R279-L283 HydrophobicContact CG-CD1 4.19Å; R279-L283 HydrophobicContact CG-CG 4.34Å; R279-L283 WeakPolarHBondContact O-CB 3.27Å; R279-L283 WeakPolarHBondContact O-CG 3.24Å; R279-L283 PolarHBondContact O-N 3.28Å; R279-E373 IonicContact CZ-OE1 3.12Å; R279-E373 IonicContact NE-OE1 2.8Å; R279-E373 PolarHBondContact NE-OE1 3.2Å; R279-E373 VanDerWaalsContact NH2-CD 3.34Å; R279-E373 IonicContact NH2-OE1 2.68Å; R279-E373 PolarHBondContact NH2-OE1 3.06Å; R279-E373 IonicContact NH2-OE2 3.28Å; R279-E373 PolarHBondContact NH2-OE2 3.29Å
280L64.6Low65.5Low17 Ų1792.5 Ų92.59%0.08943%0.425CS..Hα-helixtrans-55.3-48.7170.9-78.2170.9000111.2K272 V275 R276 R277 Q282 L283 A284 V333 M349K272-L280 HydrophobicContact CB-CD1 4.29Å; K272-L280 HydrophobicContact CD-CD1 4.2Å; V275-L280 HydrophobicContact CB-CD1 4.47Å; V275-L280 HydrophobicContact CB-CD2 3.66Å; V275-L280 HydrophobicContact CB-CG 3.74Å; V275-L280 HydrophobicContact CG1-CB 4.43Å; V275-L280 HydrophobicContact CG1-CD2 3.75Å; V275-L280 HydrophobicContact CG1-CG 3.64Å; V275-L280 HydrophobicContact CG2-CD2 4.36Å; V275-L280 WeakPolarHBondContact O-CD1 3.36Å; R276-L280 PolarHBondContact O-N 3.09Å; R277-L280 WeakPolarHBondContact O-CB 2.81Å; R277-L280 PolarHBondContact O-N 3.38Å; L280-Q282 VanDerWaalsContact C-N 3.29Å; L280-Q282 PolarHBondContact O-N 3.02Å; L280-L283 PolarHBondContact O-N 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.22Å; L280-A284 PolarHBondContact O-N 3.22Å; L280-V333 HydrophobicContact CD2-CG1 4.23Å; L280-M349 HydrophobicContact CD1-CE 4.24Å; L280-M349 HydrophobicContact CD2-CE 3.75Å; L280-M349 HydrophobicContact CD2-SD 3.46Å; L280-M349 WeakPolarHBondContact CD2-SD 3.38Å
281S64.2Low64Low72 Ų7290.2 Ų90.250%0.50343%0.434SS..Hα-helixtrans-62.2-33177-53.40000113.4R277 R279 A284 T285R277-S281 PolarHBondContact O-N 3.13Å; R277-S281 VanDerWaalsContact O-N 3.13Å; R277-S281 PolarHBondContact O-OG 3.13Å; R279-S281 VanDerWaalsContact C-N 3.34Å; R279-S281 PolarHBondContact O-N 3.26Å; S281-A284 WeakPolarHBondContact O-CB 3.16Å; S281-T285 PolarHBondContact O-N 3.38Å; S281-T285 PolarHBondContact O-OG1 3.01Å
282Q68.1Low62.7Low123 Ų12385.1 Ų85.158%0.57542%0.418SS*.Hα-helixtrans-74.4-44.2177-71.1174.1-20.800112.4K278 R279 L280 A284 T285 S286K278-Q282 WeakPolarHBondContact O-CG 3.36Å; K278-Q282 PolarHBondContact O-N 2.94Å; R279-Q282 PolarHBondContact O-N 3.45Å; R279-Q282 VanDerWaalsContact O-N 3.13Å; L280-Q282 VanDerWaalsContact C-N 3.29Å; L280-Q282 PolarHBondContact O-N 3.02Å; Q282-A284 VanDerWaalsContact C-N 3.28Å; Q282-A284 PolarHBondContact O-N 3.26Å; Q282-T285 PolarHBondContact O-N 3.5Å; Q282-S286 PolarHBondContact O-N 2.98Å; Q282-S286 VanDerWaalsContact O-N 3.11Å
283L65.7Low61.7Low19 Ų1984.8 Ų84.810%0.09942%0.418CS..Hα-helixtrans-62.8-40.4176.8-72.3173.4000111.1V275 R279 L280 S286 A287 T331 E373V275-L283 HydrophobicContact CG1-CD1 3.93Å; R279-L283 HydrophobicContact CG-CD1 4.19Å; R279-L283 HydrophobicContact CG-CG 4.34Å; R279-L283 WeakPolarHBondContact O-CB 3.27Å; R279-L283 WeakPolarHBondContact O-CG 3.24Å; R279-L283 PolarHBondContact O-N 3.28Å; L280-L283 PolarHBondContact O-N 3.24Å; L283-S286 PolarHBondContact O-N 3.43Å; L283-S286 PolarHBondContact O-OG 2.83Å; L283-A287 PolarHBondContact O-N 2.85Å; L283-T331 HydrophobicContact CB-CG2 4.28Å; L283-T331 HydrophobicContact CD2-CG2 4.36Å; L283-E373 HydrophobicContact CD1-CG 4.23Å; L283-E373 HydrophobicContact CD2-CB 3.86Å; L283-E373 HydrophobicContact CD2-CG 3.83Å
284A58.6Low61.2Low11 Ų1186.3 Ų86.39%0.09143%0.434CS..Hα-helixtrans-51.6-58.8170.200000112.3L280 S281 Q282 S286 A287 A351L280-A284 WeakPolarHBondContact O-CB 3.22Å; L280-A284 PolarHBondContact O-N 3.22Å; S281-A284 WeakPolarHBondContact O-CB 3.16Å; Q282-A284 VanDerWaalsContact C-N 3.28Å; Q282-A284 PolarHBondContact O-N 3.26Å; A284-S286 PolarHBondContact O-N 2.84Å; A284-A287 PolarHBondContact O-N 3Å; A284-A287 VanDerWaalsContact O-N 3.14Å; A284-A351 VanDerWaalsContact C-CB 3.4Å; A284-A351 HydrophobicContact CB-CB 3.72Å; A284-A351 WeakPolarHBondContact CB-O 3.35Å; A284-A351 WeakPolarHBondContact O-CB 3.1Å
285T59.8Low60.6Low79 Ų7983.7 Ų83.749%0.48543%0.432SS..Hα-helixtrans-58.3-39.2-178.8-45.60000111.8S281 Q282 A287 V288 E289S281-T285 PolarHBondContact O-N 3.38Å; S281-T285 PolarHBondContact O-OG1 3.01Å; Q282-T285 PolarHBondContact O-N 3.5Å; T285-A287 VanDerWaalsContact C-N 3.29Å; T285-A287 PolarHBondContact O-N 3.43Å; T285-V288 PolarHBondContact O-N 3.06Å; T285-E289 PolarHBondContact O-N 2.84Å
286S59Low60.2Low26 Ų2686.8 Ų86.818%0.18244%0.442CS..Hα-helixtrans-66.1-26.1-179.275.30000114.8Q282 L283 A284 R290Q282-S286 PolarHBondContact O-N 2.98Å; Q282-S286 VanDerWaalsContact O-N 3.11Å; L283-S286 PolarHBondContact O-N 3.43Å; L283-S286 PolarHBondContact O-OG 2.83Å; A284-S286 PolarHBondContact O-N 2.84Å; S286-R290 PolarHBondContact O-N 2.97Å
287A54.2Low59.7Low6 Ų677.6 Ų77.65%0.0541%0.414CS..Hα-helixtrans-75.2-26.1-178.900000113L283 A284 T285 V292 T331L283-A287 PolarHBondContact O-N 2.85Å; A284-A287 PolarHBondContact O-N 3Å; A284-A287 VanDerWaalsContact O-N 3.14Å; T285-A287 VanDerWaalsContact C-N 3.29Å; T285-A287 PolarHBondContact O-N 3.43Å; A287-V292 VanDerWaalsContact O-CG2 3.28Å; A287-V292 WeakPolarHBondContact O-CG2 3.28Å; A287-T331 WeakPolarHBondContact CB-OG1 3.44Å
288V52.7Low59.2Low103 Ų10378.6 Ų78.662%0.62442%0.423SS*.Hα-helixtrans-85.4-32.6179.7-178.50000111.3T285 A351T285-V288 PolarHBondContact O-N 3.06Å; V288-A351 HydrophobicContact CG2-CB 3.56Å
289E51.5Low58.3Low159 Ų15977.7 Ų77.774%0.74343%0.426SS*.Hα-helixtrans-82.1-26.3-174.2-72-178.5166.400114.3T285T285-E289 PolarHBondContact O-N 2.84Å
290R50.8Low57.1Low171 Ų17179.7 Ų79.765%0.64544%0.439SS*.SBendtrans-83.9144.6176-66.1178.9-170.5178.24.3107.7S286 V292S286-R290 PolarHBondContact O-N 2.97Å; R290-V292 HydrophobicContact CB-CG2 3.92Å; R290-V292 WeakPolarHBondContact O-CG2 3Å; R290-V292 PolarHBondContact O-N 3.06Å
291G53.5Low55.7Low73 Ų7385.8 Ų85.875%0.75348%0.476SS*.  trans-65.553.6175.300000113.3L293 G294G291-L293 PolarHBondContact O-N 3.48Å; G291-G294 WeakPolarHBondContact O-CA 3.36Å; G291-G294 PolarHBondContact O-N 3.27Å
292V56.8Low54.5Low32 Ų3289 Ų8919%0.19449%0.487CS..THydrogen-bonded Turntrans-62.6-28.1-173.9175.20000111A287 R290 G294 A377A287-V292 VanDerWaalsContact O-CG2 3.28Å; A287-V292 WeakPolarHBondContact O-CG2 3.28Å; R290-V292 HydrophobicContact CB-CG2 3.92Å; R290-V292 WeakPolarHBondContact O-CG2 3Å; R290-V292 PolarHBondContact O-N 3.06Å; V292-G294 PolarHBondContact O-N 2.89Å; V292-A377 HydrophobicContact CG1-CB 4.45Å
293L57.6Low53.2Low44 Ų4493 Ų9323%0.2350%0.503CS..THydrogen-bonded Turntrans-68.3-13.8173.1-60.2171.8000112.5G291 A295 Y296 G297 H312 I327G291-L293 PolarHBondContact O-N 3.48Å; L293-A295 PolarHBondContact O-N 2.79Å; L293-Y296 WeakPolarHBondContact O-CA 3.29Å; L293-Y296 VanDerWaalsContact O-CB 3.31Å; L293-Y296 WeakPolarHBondContact O-CB 3.32Å; L293-Y296 WeakPolarHBondContact O-CD2 3.48Å; L293-Y296 PolarHBondContact O-N 2.63Å; L293-G297 VanDerWaalsContact CB-CA 3.46Å; L293-G297 PolarHBondContact O-N 3.05Å; L293-H312 HydrophobicContact CD1-CB 4.29Å; L293-H312 HydrophobicContact CD2-CB 4.44Å; L293-I327 HydrophobicContact CD2-CD1 3.68Å; L293-I327 HydrophobicContact CD2-CG1 4.02Å; L293-I327 HydrophobicContact CD2-CG2 3.8Å
294G59.9Low52Low45 Ų4594.5 Ų94.546%0.46452%0.518SS..G310 helixtrans51.5-126.517800000111.9G291 V292 Y296 G297G291-G294 WeakPolarHBondContact O-CA 3.36Å; G291-G294 PolarHBondContact O-N 3.27Å; V292-G294 PolarHBondContact O-N 2.89Å; G294-Y296 PolarHBondContact O-N 3.13Å; G294-G297 PolarHBondContact O-N 3.44Å; G294-G297 VanDerWaalsContact O-N 3.16Å
295A57.8Low51.4Low61 Ų61100.8 Ų100.850%0.50456%0.557SS.*G310 helixtrans-64.9-14.8176.500000114.4L293L293-A295 PolarHBondContact O-N 2.79Å
296Y61Low51.1Low87 Ų87100.4 Ų100.434%0.34156%0.558SS.*G310 helixtrans-95.2-4.3178.2-51.5-85.5000112.6L293 G294 V307 L310 I327 L379L293-Y296 WeakPolarHBondContact O-CA 3.29Å; L293-Y296 VanDerWaalsContact O-CB 3.31Å; L293-Y296 WeakPolarHBondContact O-CB 3.32Å; L293-Y296 WeakPolarHBondContact O-CD2 3.48Å; L293-Y296 PolarHBondContact O-N 2.63Å; G294-Y296 PolarHBondContact O-N 3.13Å; Y296-V307 HydrophobicContact CD1-CG1 3.81Å; Y296-V307 HydrophobicContact CE1-CG1 3.42Å; Y296-V307 VanDerWaalsContact CE1-CG1 3.42Å; Y296-L310 HydrophobicContact CD1-CD1 4.12Å; Y296-I327 HydrophobicContact CD2-CD1 4.38Å; Y296-I327 HydrophobicContact CG-CD1 4.15Å; Y296-L379 HydrophobicContact CD1-CD2 3.92Å; Y296-L379 HydrophobicContact CD2-CD2 3.76Å; Y296-L379 HydrophobicContact CE1-CD1 3.82Å; Y296-L379 HydrophobicContact CE1-CD2 3.92Å; Y296-L379 HydrophobicContact CE2-CD1 3.91Å; Y296-L379 HydrophobicContact CE2-CD2 3.8Å; Y296-L379 HydrophobicContact CE2-CG 4.47Å; Y296-L379 HydrophobicContact CG-CD2 3.84Å; Y296-L379 VanDerWaalsContact CZ-CD1 3.43Å; Y296-L379 WeakPolarHBondContact OH-CD1 3.4Å
297G56Low50.8Low20 Ų20102.2 Ų102.221%0.20657%0.568CS.*SBendtrans-75.5144.7173.500000111.3L293 G294 D299L293-G297 VanDerWaalsContact CB-CA 3.46Å; L293-G297 PolarHBondContact O-N 3.05Å; G294-G297 PolarHBondContact O-N 3.44Å; G294-G297 VanDerWaalsContact O-N 3.16Å; G297-D299 PolarHBondContact O-N 3.34Å
298K53.3Low50.9Low204 Ų204105.7 Ų105.789%0.88759%0.59SS**THydrogen-bonded Turntrans-59.2-17.7-177.9-75-175.2174.2-177.30114.6
299D48.6Very low51.4Low149 Ų149106.5 Ų106.580%0.79760%0.6SS**THydrogen-bonded Turntrans-113.3-3.4-158.8-70.3-28.4000118G297G297-D299 PolarHBondContact O-N 3.34Å
300K44.9Very low52.5Low173 Ų17399.8 Ų99.875%0.75257%0.569SS**SBendtrans-143.4105.6-179.8-69.1-169.9179.4178.10117.7L302K300-L302 PolarHBondContact O-N 3.22Å
301V35.4Very low53.8Low144 Ų14498.4 Ų98.487%0.87357%0.568SS**SBend63.7-8.8128.8-171.80000121.9
302L39.3Very low55.1Low140 Ų14098.8 Ų98.873%0.73355%0.55SS**  trans-118.872.5170.2-73165.8000111.5K300 A304K300-L302 PolarHBondContact O-N 3.22Å; L302-A304 PolarHBondContact O-N 2.92Å
303K39.8Very low56.2Low207 Ų20798 Ų9890%0.955%0.545SS*.  trans-6884.5160.8-78.8-174.2176.5-179.80108.3
304A41.7Very low57.3Low51 Ų5197.6 Ų97.642%0.42155%0.545SS..  trans-60.9126.8154.700000106.7L302 S306 V307L302-A304 PolarHBondContact O-N 2.92Å; A304-S306 PolarHBondContact O-N 3.48Å; A304-V307 HydrophobicContact CB-CG2 3.79Å; A304-V307 PolarHBondContact O-N 3.25Å
305P46.6Very low58.4Low142 Ų14295.8 Ų95.892%0.92252%0.524SS*.THydrogen-bonded Turntrans-60-12.6-169.1-18.825.7000115.1
306S51.9Low59.6Low71 Ų71101.3 Ų101.350%0.49753%0.532SS..THydrogen-bonded Turntrans-112.70.9-169.857.20000114.7A304 P308A304-S306 PolarHBondContact O-N 3.48Å; S306-P308 WeakPolarHBondContact O-CD 3.22Å
307V52.6Low60.7Low64 Ų64104.1 Ų104.139%0.38855%0.546SS..  trans-96114.1-173.9-176.40000110.3Y296 A304Y296-V307 HydrophobicContact CD1-CG1 3.81Å; Y296-V307 HydrophobicContact CE1-CG1 3.42Å; Y296-V307 VanDerWaalsContact CE1-CG1 3.42Å; A304-V307 HydrophobicContact CB-CG2 3.79Å; A304-V307 PolarHBondContact O-N 3.25Å
308P56.9Low62Low79 Ų79104.1 Ų104.151%0.51354%0.542SS..  trans-62.6139.9177.324.1-30.8000110.5S306 L310S306-P308 WeakPolarHBondContact O-CD 3.22Å; P308-L310 PolarHBondContact O-N 3.38Å; P308-L310 VanDerWaalsContact O-N 3.08Å
309S63.8Low63.4Low120 Ų120102.8 Ų102.884%0.83953%0.531SS*.  trans-69.5106175.358.70000109.6
310L74Confident65.1Low19 Ų19100.8 Ų100.810%0.09953%0.525CS..PPolyproline II helixtrans-81141.3177.8-61.2174.1000111Y296 P308 G325 I327 L379 E380Y296-L310 HydrophobicContact CD1-CD1 4.12Å; P308-L310 PolarHBondContact O-N 3.38Å; P308-L310 VanDerWaalsContact O-N 3.08Å; L310-G325 WeakPolarHBondContact CA-O 3.2Å; L310-G325 VanDerWaalsContact CD2-C 3.48Å; L310-I327 HydrophobicContact CB-CB 3.98Å; L310-I327 HydrophobicContact CB-CG2 3.99Å; L310-I327 HydrophobicContact CD1-CB 4.26Å; L310-L379 HydrophobicContact CD1-CB 4.02Å; L310-L379 HydrophobicContact CD1-CD2 3.66Å; L310-L379 HydrophobicContact CD1-CG 4.35Å; L310-E380 HydrophobicContact CD1-CG 4.49Å; L310-E380 HydrophobicContact CD2-CG 3.89Å
311K78.2Confident66.7Low141 Ų14193.8 Ų93.861%0.61350%0.501SS*.EExtended strand (participates in β ladder)trans-90.9124.3177.8-176.6174.3175.8-176.40110.2G325 F326 I327K311-G325 PolarHBondContact N-O 2.88Å; K311-F326 HydrophobicContact CB-CD1 3.99Å; K311-F326 HydrophobicContact CB-CE1 4.27Å; K311-F326 HydrophobicContact CD-CE1 4.2Å; K311-F326 HydrophobicContact CG-CD1 4.45Å; K311-F326 HydrophobicContact CG-CE1 4.49Å; K311-F326 VanDerWaalsContact O-CA 3.27Å; K311-F326 WeakPolarHBondContact O-CA 3.18Å; K311-I327 PolarHBondContact O-N 2.81Å
312H80.8Confident68.8Low82 Ų8290.2 Ų90.238%0.3848%0.477SS..EExtended strand (participates in β ladder)trans-68133.6175.3-178.4-102.6000111.8L293 I327 S329L293-H312 HydrophobicContact CD1-CB 4.29Å; L293-H312 HydrophobicContact CD2-CB 4.44Å; H312-I327 VanDerWaalsContact CA-O 3.3Å; H312-I327 WeakPolarHBondContact CA-O 3.35Å; H312-I327 HydrophobicContact CB-CG2 4.03Å; H312-I327 PolarHBondContact CD2-O 3.14Å; H312-S329 PolarHBondContact NE2-OG 3.36Å
313I81.2Confident70.8Confident15 Ų1583.9 Ų83.98%0.07745%0.445CS..  trans-130.5143.4172.661.6175.1000110.7K317 V318 F326 I327 V328I313-K317 HydrophobicContact CB-CB 4.41Å; I313-V318 HydrophobicContact CD1-CG2 3.99Å; I313-V318 HydrophobicContact CG1-CG2 4.3Å; I313-F326 HydrophobicContact CD1-CB 3.78Å; I313-F326 HydrophobicContact CD1-CD1 4.17Å; I313-F326 HydrophobicContact CD1-CD2 4.37Å; I313-F326 HydrophobicContact CD1-CG 3.85Å; I313-F326 HydrophobicContact CG1-CB 4.08Å; I313-F326 HydrophobicContact CG1-CD1 4.45Å; I313-F326 HydrophobicContact CG1-CG 4.41Å; I313-F326 HydrophobicContact CG2-CD1 3.5Å; I313-F326 VanDerWaalsContact CG2-CD1 3.5Å; I313-F326 HydrophobicContact CG2-CE1 3.92Å; I313-F326 HydrophobicContact CG2-CG 4.26Å; I313-I327 PolarHBondContact N-O 3.08Å; I313-V328 HydrophobicContact CD1-CG1 4.36Å; I313-V328 HydrophobicContact CG1-CG1 3.8Å
314P80.4Confident72.8Confident36 Ų3675.8 Ų75.823%0.23441%0.414CS..  trans-67.6155.2171.329.4-35.2000111R316 K317 D350P314-R316 PolarHBondContact O-N 2.89Å; P314-R316 VanDerWaalsContact O-N 3.17Å; P314-K317 HydrophobicContact CG-CB 4.17Å; P314-K317 HydrophobicContact CG-CD 3.89Å; P314-K317 HydrophobicContact CG-CG 3.87Å; P314-K317 PolarHBondContact O-N 2.94Å; P314-D350 WeakPolarHBondContact CB-OD2 3.45Å
315L82.1Confident74.6Confident6 Ų675 Ų753%0.03141%0.41CS..G310 helixtrans-58.2-35.2-175-75.7176.4000112.4K317 V318 V328 I348 D350 F357L315-K317 PolarHBondContact O-N 2.86Å; L315-V318 HydrophobicContact CD2-CG2 4.4Å; L315-V318 VanDerWaalsContact O-CB 3.31Å; L315-V318 WeakPolarHBondContact O-CB 3.38Å; L315-V318 VanDerWaalsContact O-CG2 3.3Å; L315-V318 WeakPolarHBondContact O-CG2 3.22Å; L315-V318 PolarHBondContact O-N 3.15Å; L315-V318 VanDerWaalsContact O-N 3.09Å; L315-V328 HydrophobicContact CD2-CB 4.13Å; L315-V328 HydrophobicContact CD2-CG1 4.45Å; L315-V328 HydrophobicContact CD2-CG2 4.35Å; L315-I348 HydrophobicContact CD1-CD1 4.28Å; L315-I348 HydrophobicContact CD1-CG1 4.13Å; L315-I348 HydrophobicContact CD2-CD1 4.04Å; L315-D350 HydrophobicContact CB-CB 4.01Å; L315-D350 HydrophobicContact CD1-CB 3.83Å; L315-D350 HydrophobicContact CG-CB 3.82Å; L315-D350 PolarHBondContact N-OD2 3.28Å; L315-F357 HydrophobicContact CB-CD2 3.98Å; L315-F357 HydrophobicContact CB-CE2 3.8Å; L315-F357 HydrophobicContact CD1-CD2 3.9Å; L315-F357 HydrophobicContact CD2-CD2 4.13Å; L315-F357 HydrophobicContact CD2-CG 4.45Å; L315-F357 HydrophobicContact CG-CD2 4.22Å
316R83.1Confident76.4Confident177 Ų17771 Ų7167%0.66838%0.378SS*.G310 helixtrans-60.4-24.7176-175.3175.9174.8-161.8-0.3114.3P314 N353 E355P314-R316 PolarHBondContact O-N 2.89Å; P314-R316 VanDerWaalsContact O-N 3.17Å; R316-N353 HydrophobicContact CB-CB 4.24Å; R316-E355 HydrophobicContact CB-CG 4.34Å
317K84.6Confident77.8Confident146 Ų14667.6 Ų67.664%0.63536%0.355SS*.G310 helixtrans-92.4-4179.6-72.1-171.7-176.1-178.10113.1I313 P314 L315I313-K317 HydrophobicContact CB-CB 4.41Å; P314-K317 HydrophobicContact CG-CB 4.17Å; P314-K317 HydrophobicContact CG-CD 3.89Å; P314-K317 HydrophobicContact CG-CG 3.87Å; P314-K317 PolarHBondContact O-N 2.94Å; L315-K317 PolarHBondContact O-N 2.86Å
318V83.8Confident79.3Confident21 Ų2164.7 Ų64.713%0.12734%0.337CS..PPolyproline II helixtrans-71.1130.4178.9-1740000108.8I313 L315 N323 V328 P381 V383I313-V318 HydrophobicContact CD1-CG2 3.99Å; I313-V318 HydrophobicContact CG1-CG2 4.3Å; L315-V318 HydrophobicContact CD2-CG2 4.4Å; L315-V318 VanDerWaalsContact O-CB 3.31Å; L315-V318 WeakPolarHBondContact O-CB 3.38Å; L315-V318 VanDerWaalsContact O-CG2 3.3Å; L315-V318 WeakPolarHBondContact O-CG2 3.22Å; L315-V318 PolarHBondContact O-N 3.15Å; L315-V318 VanDerWaalsContact O-N 3.09Å; V318-N323 WeakPolarHBondContact CG1-ND2 3.44Å; V318-V328 HydrophobicContact CG2-CG1 3.38Å; V318-P381 HydrophobicContact CG1-CG 4.34Å; V318-V383 HydrophobicContact CG1-CB 4.03Å; V318-V383 HydrophobicContact CG1-CG1 4.44Å; V318-V383 HydrophobicContact CG1-CG2 3.41Å; V318-V383 VanDerWaalsContact CG1-CG2 3.41Å
319R83Confident80.4Confident175 Ų17561.8 Ų61.866%0.6632%0.319SS*.PPolyproline II helixtrans-97154.9-179.5-63.2-179.8179.4-176.6-2.6109.7N323R319-N323 PolarHBondContact N-OD1 3.04Å; R319-N323 PolarHBondContact O-ND2 3.21Å; R319-N323 PolarHBondContact O-OD1 3.39Å
320T84.2Confident81.2Confident108 Ų10856.1 Ų56.166%0.66328%0.279SS*.SBendtrans-65.9139.9168.651.90000110.2V383T320-V383 CarbonylContact C-O 3.48Å; T320-V383 WeakPolarHBondContact CA-O 3.47Å
321G77.2Confident81.6Confident25 Ų2555.4 Ų55.426%0.25828%0.276SS..EExtended strand (participates in β ladder)trans102.7-161.3-171.500000112.2N323 F382 V383G321-N323 PolarHBondContact O-ND2 3.39Å; G321-F382 WeakPolarHBondContact O-CA 3.17Å; G321-V383 PolarHBondContact N-O 3.04Å; G321-V383 PolarHBondContact O-N 3.16Å
322N79.8Confident82.1Confident69 Ų6948.7 Ų48.737%0.36925%0.246SC..EExtended strand (participates in β ladder)trans-81124.1178.6-170.23.3000110.6S324 F382 I594N322-S324 PolarHBondContact O-N 2.9Å; N322-F382 HydrophobicContact CB-CD2 4.17Å; N322-I594 VanDerWaalsContact ND2-CG2 3.32Å; N322-I594 WeakPolarHBondContact ND2-CG2 3.48Å
323N81Confident82.4Confident8 Ų844.9 Ų44.94%0.04323%0.229CC..  trans-100.161.4177.3-64.8-97.8000110.5V318 R319 G321 F326 E380 P381V318-N323 WeakPolarHBondContact CG1-ND2 3.44Å; R319-N323 PolarHBondContact N-OD1 3.04Å; R319-N323 PolarHBondContact O-ND2 3.21Å; R319-N323 PolarHBondContact O-OD1 3.39Å; G321-N323 PolarHBondContact O-ND2 3.39Å; N323-F326 HydrophobicContact CB-CB 4.49Å; N323-F326 HydrophobicContact CB-CD2 4.28Å; N323-F326 PolarHBondContact O-N 3.4Å; N323-E380 WeakPolarHBondContact O-CA 3.5Å; N323-P381 HydrophobicContact CB-CG 3.98Å; N323-P381 WeakPolarHBondContact CB-O 3.36Å; N323-P381 PolarHBondContact N-O 3.37Å; N323-P381 VanDerWaalsContact N-O 3.11Å; N323-P381 PolarHBondContact ND2-O 3.06Å
324S81.5Confident82.7Confident37 Ų3744.4 Ų44.426%0.25923%0.227SC..THydrogen-bonded Turntrans-60.5143.7179.855.60000112.4N322 F326 E380N322-S324 PolarHBondContact O-N 2.9Å; S324-F326 WeakPolarHBondContact O-CD2 3.46Å; S324-F326 PolarHBondContact O-N 3.48Å; S324-E380 WeakPolarHBondContact CA-OE1 3.37Å
325G80.3Confident83.2Confident33 Ų3345.8 Ų45.834%0.3423%0.232SC..THydrogen-bonded Turntrans75.6-1.7-176.200000115.4L310 K311 E380L310-G325 WeakPolarHBondContact CA-O 3.2Å; L310-G325 VanDerWaalsContact CD2-C 3.48Å; K311-G325 PolarHBondContact N-O 2.88Å; G325-E380 PolarHBondContact N-OE1 3.14Å
326F83.9Confident83.5Confident58 Ų5845.8 Ų45.825%0.25423%0.232SC..EExtended strand (participates in β ladder)trans-111.5154.6-179-59.9-70.2000112.9K311 I313 N323 S324 E380K311-F326 HydrophobicContact CB-CD1 3.99Å; K311-F326 HydrophobicContact CB-CE1 4.27Å; K311-F326 HydrophobicContact CD-CE1 4.2Å; K311-F326 HydrophobicContact CG-CD1 4.45Å; K311-F326 HydrophobicContact CG-CE1 4.49Å; K311-F326 VanDerWaalsContact O-CA 3.27Å; K311-F326 WeakPolarHBondContact O-CA 3.18Å; I313-F326 HydrophobicContact CD1-CB 3.78Å; I313-F326 HydrophobicContact CD1-CD1 4.17Å; I313-F326 HydrophobicContact CD1-CD2 4.37Å; I313-F326 HydrophobicContact CD1-CG 3.85Å; I313-F326 HydrophobicContact CG1-CB 4.08Å; I313-F326 HydrophobicContact CG1-CD1 4.45Å; I313-F326 HydrophobicContact CG1-CG 4.41Å; I313-F326 HydrophobicContact CG2-CD1 3.5Å; I313-F326 VanDerWaalsContact CG2-CD1 3.5Å; I313-F326 HydrophobicContact CG2-CE1 3.92Å; I313-F326 HydrophobicContact CG2-CG 4.26Å; N323-F326 HydrophobicContact CB-CB 4.49Å; N323-F326 HydrophobicContact CB-CD2 4.28Å; N323-F326 PolarHBondContact O-N 3.4Å; S324-F326 WeakPolarHBondContact O-CD2 3.46Å; S324-F326 PolarHBondContact O-N 3.48Å; F326-E380 WeakPolarHBondContact O-CA 3.14Å; F326-E380 PolarHBondContact O-N 2.93Å
327I82.5Confident83.6Confident1 Ų147.5 Ų47.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-127.6136.2171.1-174.8168.6000108.9L293 Y296 L310 K311 H312 I313 A377 L379L293-I327 HydrophobicContact CD2-CD1 3.68Å; L293-I327 HydrophobicContact CD2-CG1 4.02Å; L293-I327 HydrophobicContact CD2-CG2 3.8Å; Y296-I327 HydrophobicContact CD2-CD1 4.38Å; Y296-I327 HydrophobicContact CG-CD1 4.15Å; L310-I327 HydrophobicContact CB-CB 3.98Å; L310-I327 HydrophobicContact CB-CG2 3.99Å; L310-I327 HydrophobicContact CD1-CB 4.26Å; K311-I327 PolarHBondContact O-N 2.81Å; H312-I327 VanDerWaalsContact CA-O 3.3Å; H312-I327 WeakPolarHBondContact CA-O 3.35Å; H312-I327 HydrophobicContact CB-CG2 4.03Å; H312-I327 PolarHBondContact CD2-O 3.14Å; I313-I327 PolarHBondContact N-O 3.08Å; I327-A377 HydrophobicContact CD1-CB 4.08Å; I327-A377 HydrophobicContact CG1-CB 4.38Å; I327-L379 HydrophobicContact CD1-CD2 3.37Å; I327-L379 HydrophobicContact CG1-CD2 3.93Å
328V82.5Confident83.6Confident3 Ų341.8 Ų41.82%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-113.5143.9174.4-62.80000109.2I313 L315 V318 A377 I378 P381I313-V328 HydrophobicContact CD1-CG1 4.36Å; I313-V328 HydrophobicContact CG1-CG1 3.8Å; L315-V328 HydrophobicContact CD2-CB 4.13Å; L315-V328 HydrophobicContact CD2-CG1 4.45Å; L315-V328 HydrophobicContact CD2-CG2 4.35Å; V318-V328 HydrophobicContact CG2-CG1 3.38Å; V328-A377 CarbonylContact O-C 3.47Å; V328-A377 VanDerWaalsContact O-CA 3.3Å; V328-A377 WeakPolarHBondContact O-CA 3.35Å; V328-I378 HydrophobicContact CG2-CB 3.7Å; V328-I378 HydrophobicContact CG2-CD1 4.37Å; V328-I378 HydrophobicContact CG2-CG1 4.34Å; V328-I378 PolarHBondContact N-O 2.96Å; V328-I378 PolarHBondContact O-N 2.77Å; V328-P381 HydrophobicContact CB-CG 4.48Å; V328-P381 HydrophobicContact CG1-CG 3.86Å; V328-P381 HydrophobicContact CG2-CB 4.12Å; V328-P381 HydrophobicContact CG2-CG 3.8Å
329S80.1Confident83.4Confident17 Ų1747.2 Ų47.212%0.11924%0.239CC..EExtended strand (participates in β ladder)trans-127.5138.117566.80000109.9H312 V376H312-S329 PolarHBondContact NE2-OG 3.36Å; S329-V376 WeakPolarHBondContact CA-O 3.27Å
330G80.7Confident83.1Confident1 Ų143.5 Ų43.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-149.9164.4175.300000111.8M349 S375 V376G330-M349 CarbonylContact C-O 3.6Å; G330-M349 WeakPolarHBondContact CA-O 3.37Å; G330-S375 WeakPolarHBondContact O-CA 3.24Å; G330-V376 PolarHBondContact N-O 3.44Å; G330-V376 PolarHBondContact O-N 2.98Å
331T83.6Confident82.4Confident4 Ų444 Ų443%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-96.4134.1173.2-590000109.2L283 A287 V333 I348 M349 Q374L283-T331 HydrophobicContact CB-CG2 4.28Å; L283-T331 HydrophobicContact CD2-CG2 4.36Å; A287-T331 WeakPolarHBondContact CB-OG1 3.44Å; T331-V333 PolarHBondContact O-N 2.96Å; T331-I348 WeakPolarHBondContact O-CA 3.21Å; T331-M349 PolarHBondContact N-O 2.73Å; T331-M349 PolarHBondContact O-N 2.82Å; T331-Q374 WeakPolarHBondContact CA-O 3.34Å
332V87.2Confident82.3Confident0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-67.1120.4176179.90000109.2F346 C347 I348 V370 M371 E373 Q374 V376V332-F346 HydrophobicContact CG1-CB 4.28Å; V332-F346 HydrophobicContact CG1-CD2 4.21Å; V332-F346 HydrophobicContact CG2-CD2 3.87Å; V332-F346 HydrophobicContact CG2-CE2 4.06Å; V332-C347 CarbonylContact C-O 3.38Å; V332-C347 WeakPolarHBondContact CA-O 3.28Å; V332-I348 HydrophobicContact CG2-CG2 4.34Å; V332-V370 HydrophobicContact CB-CG2 4.43Å; V332-V370 HydrophobicContact CG1-CG2 3.9Å; V332-V370 HydrophobicContact CG2-CB 4.11Å; V332-V370 HydrophobicContact CG2-CG2 3.73Å; V332-M371 WeakPolarHBondContact CB-O 3.43Å; V332-E373 PolarHBondContact O-N 2.85Å; V332-Q374 WeakPolarHBondContact CG2-O 3.38Å; V332-Q374 PolarHBondContact N-O 2.7Å; V332-V376 HydrophobicContact CG2-CG2 3.56Å
333V86.8Confident82.5Confident3 Ų342.8 Ų42.82%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-105.3-25.4-179.2-64.10000113.2V275 L280 T331 C347 M349V275-V333 HydrophobicContact CG2-CB 4.08Å; V275-V333 HydrophobicContact CG2-CG1 4.28Å; L280-V333 HydrophobicContact CD2-CG1 4.23Å; T331-V333 PolarHBondContact O-N 2.96Å; V333-C347 HydrophobicContact CG2-CB 3.6Å; V333-C347 PolarHBondContact N-O 3.01Å; V333-M349 HydrophobicContact CB-SD 4.45Å; V333-M349 HydrophobicContact CG1-CB 4.01Å; V333-M349 HydrophobicContact CG1-CG 3.84Å; V333-M349 HydrophobicContact CG1-SD 3.82Å; V333-M349 HydrophobicContact CG2-CG 3.94Å; V333-M349 HydrophobicContact CG2-SD 4.14Å
334A88.6Confident82.7Confident4 Ų444.3 Ų44.33%0.03322%0.218CC..EExtended strand (participates in β ladder)trans-154.5153.8177.600000111.4E268 F346 C347E268-A334 HydrophobicContact CB-CB 4.11Å; E268-A334 HydrophobicContact CG-CB 4.11Å; E268-A334 VanDerWaalsContact OE2-CB 3.25Å; E268-A334 WeakPolarHBondContact OE2-CB 3.45Å; A334-F346 CarbonylContact O-C 3.54Å; A334-F346 VanDerWaalsContact O-CA 3.29Å; A334-F346 WeakPolarHBondContact O-CA 3.38Å; A334-F346 VanDerWaalsContact O-CB 3.28Å; A334-F346 WeakPolarHBondContact O-CB 3.42Å; A334-C347 HydrophobicContact CB-CB 4.18Å; A334-C347 PolarHBondContact O-N 3.18Å
335I90.1Very high83.1Confident66 Ų6642.6 Ų42.634%0.33821%0.206SC..EExtended strand (participates in β ladder)trans-106.5123.6168.3-58.2169.6000106.7Y344 V370 I372I335-Y344 HydrophobicContact CG2-CE2 4.25Å; I335-V370 VanDerWaalsContact CD1-O 3.26Å; I335-V370 WeakPolarHBondContact CD1-O 3.25Å; I335-I372 HydrophobicContact CG1-CG1 4.37Å
336V88.8Confident83.6Confident6 Ų641.1 Ų41.14%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-84.3124-178.2-176.60000108.9F261 N264 E268 N338 A345F261-V336 HydrophobicContact CD2-CG1 4.35Å; F261-V336 HydrophobicContact CE2-CG1 4.23Å; N264-V336 HydrophobicContact CB-CG1 3.81Å; E268-V336 HydrophobicContact CB-CG2 4.33Å; E268-V336 HydrophobicContact CG-CG2 4.31Å; V336-N338 PolarHBondContact O-N 3.33Å; V336-A345 HydrophobicContact CB-CB 3.89Å; V336-A345 HydrophobicContact CG2-CB 4.39Å; V336-A345 PolarHBondContact N-O 2.9Å
337R85.5Confident83.8Confident212 Ų21238.4 Ų38.480%0.818%0.178SC*.  trans-71.5126.1178.5-66.3-177.1-179.2178.7-0110.9N264N264-R337 PolarHBondContact ND2-O 3.07Å; N264-R337 VanDerWaalsContact ND2-O 3.16Å
338N83.9Confident84Confident26 Ų2638.4 Ų38.414%0.13918%0.178CC..  trans-130.9118.9174.6-177-0.8000110F261 V336 K340 I341 I342 P343F261-N338 HydrophobicContact CD2-CB 3.69Å; F261-N338 HydrophobicContact CE2-CB 3.97Å; V336-N338 PolarHBondContact O-N 3.33Å; N338-K340 PolarHBondContact O-N 3.39Å; N338-K340 PolarHBondContact OD1-N 2.92Å; N338-K340 VanDerWaalsContact OD1-N 3.13Å; N338-I341 PolarHBondContact O-N 3.11Å; N338-I342 PolarHBondContact ND2-O 2.98Å; N338-P343 PolarHBondContact ND2-O 3.25Å
339E81Confident84Confident136 Ų13638.8 Ų38.864%0.63618%0.18SC*.THydrogen-bonded Turntrans-68-24.3-177.1-58.8-178.917200112.9T257 I341T257-E339 HydrophobicContact CG2-CB 3.95Å; T257-E339 PolarHBondContact OG1-OE2 3.11Å; E339-I341 VanDerWaalsContact C-N 3.3Å
340K75.1Confident83.9Confident96 Ų9638.5 Ų38.542%0.41718%0.177SC..THydrogen-bonded Turntrans-87.33.1-179.7-76.5-81.4-176.7176.10113.7E254 T257 N338 I342E254-K340 WeakPolarHBondContact OE1-CE 3.41Å; E254-K340 IonicContact OE1-NZ 3.09Å; E254-K340 PolarHBondContact OE1-NZ 2.64Å; E254-K340 VanDerWaalsContact OE2-CE 3.31Å; E254-K340 WeakPolarHBondContact OE2-CE 3.47Å; E254-K340 IonicContact OE2-NZ 2.8Å; T257-K340 HydrophobicContact CG2-CG 3.89Å; N338-K340 PolarHBondContact O-N 3.39Å; N338-K340 PolarHBondContact OD1-N 2.92Å; N338-K340 VanDerWaalsContact OD1-N 3.13Å; K340-I342 PolarHBondContact O-N 2.7Å
341I69.6Low83Confident120 Ų12040 Ų4062%0.61519%0.189SC*.  trans66.6-37.6-175.3-56.6169.3000113N338 E339 P343 Y344 F364N338-I341 PolarHBondContact O-N 3.11Å; E339-I341 VanDerWaalsContact C-N 3.3Å; I341-P343 CarbonylContact O-C 3.33Å; I341-Y344 PolarHBondContact O-N 3.03Å; I341-F364 HydrophobicContact CG2-CE2 4.08Å; I341-F364 HydrophobicContact CG2-CZ 3.88Å; I341-F364 WeakPolarHBondContact O-CZ 3.42Å
342I76Confident81.8Confident62 Ų6244.7 Ų44.732%0.31822%0.218SC..  trans-111.3132.1-176-54.3174.5000111.4N338 K340 Y362 F364N338-I342 PolarHBondContact ND2-O 2.98Å; K340-I342 PolarHBondContact O-N 2.7Å; I342-Y362 HydrophobicContact CG2-CD1 3.74Å; I342-Y362 HydrophobicContact CG2-CE1 4.02Å; I342-F364 HydrophobicContact CG1-CE1 4.15Å; I342-F364 HydrophobicContact CG1-CZ 4.09Å
343P83.8Confident80.4Confident5 Ų547 Ų473%0.03223%0.23CC..SBendcis-71.1155.1-830-34.2000112.1F261 N338 I341 A345 T360 Y362F261-P343 HydrophobicContact CZ-CG 4.03Å; N338-P343 PolarHBondContact ND2-O 3.25Å; I341-P343 CarbonylContact O-C 3.33Å; P343-A345 PolarHBondContact O-N 3.09Å; P343-T360 HydrophobicContact CB-CG2 4.14Å; P343-T360 HydrophobicContact CG-CG2 3.78Å; P343-Y362 HydrophobicContact CB-CD1 4.32Å; P343-Y362 HydrophobicContact CB-CD2 4.04Å; P343-Y362 HydrophobicContact CB-CE1 3.96Å; P343-Y362 HydrophobicContact CB-CE2 3.62Å; P343-Y362 HydrophobicContact CB-CG 4.37Å; P343-Y362 HydrophobicContact CG-CE1 4.36Å; P343-Y362 HydrophobicContact CG-CE2 4.13Å
344Y85.1Confident79.4Confident40 Ų4050 Ų5016%0.15725%0.246CC..EExtended strand (participates in β ladder)trans-75.1116.8163.9-178.3-95.2000107.5I335 I341 F346 V361 F364 F368 V370I335-Y344 HydrophobicContact CG2-CE2 4.25Å; I341-Y344 PolarHBondContact O-N 3.03Å; Y344-F346 AromaticContact CD1-CD1 3.77Å; Y344-F346 HydrophobicContact CD1-CD1 3.77Å; Y344-F346 HydrophobicContact CD1-CE1 4.15Å; Y344-F346 AromaticContact CE1-CD1 3.56Å; Y344-F346 HydrophobicContact CE1-CD1 3.56Å; Y344-F346 HydrophobicContact CE1-CE1 4.11Å; Y344-F346 HydrophobicContact CE1-CG 4.48Å; Y344-V361 PolarHBondContact N-O 3.42Å; Y344-V361 PolarHBondContact O-N 3.47Å; Y344-F364 VanDerWaalsContact CB-CE1 3.49Å; Y344-F368 HydrophobicContact CD1-CD1 4.22Å; Y344-F368 AromaticContact CD1-CE1 3.87Å; Y344-F368 HydrophobicContact CD1-CE1 3.87Å; Y344-F368 HydrophobicContact CE1-CE1 4.28Å; Y344-V370 HydrophobicContact CE1-CG2 4.06Å; Y344-V370 PolarHBondContact OH-N 3.4Å; Y344-V370 PolarHBondContact OH-O 3.38Å
345A90.3Very high78.8Confident1 Ų154 Ų541%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-119.6137.1-171.100000111.3F261 V336 P343 V358 V359 T360F261-A345 HydrophobicContact CE2-CB 3.82Å; F261-A345 HydrophobicContact CZ-CB 4.09Å; V336-A345 HydrophobicContact CB-CB 3.89Å; V336-A345 HydrophobicContact CG2-CB 4.39Å; V336-A345 PolarHBondContact N-O 2.9Å; P343-A345 PolarHBondContact O-N 3.09Å; A345-V358 HydrophobicContact CB-CG1 4.26Å; A345-V359 VanDerWaalsContact CA-O 3.29Å; A345-V359 WeakPolarHBondContact CA-O 3.23Å; A345-T360 HydrophobicContact CB-CG2 4.24Å
346F90Very high78.5Confident3 Ų351.6 Ų51.61%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-148.5157.1176.658.6-89.2000110.8V332 A334 Y344 I348 V359 V361 V370 V376V332-F346 HydrophobicContact CG1-CB 4.28Å; V332-F346 HydrophobicContact CG1-CD2 4.21Å; V332-F346 HydrophobicContact CG2-CD2 3.87Å; V332-F346 HydrophobicContact CG2-CE2 4.06Å; A334-F346 CarbonylContact O-C 3.54Å; A334-F346 VanDerWaalsContact O-CA 3.29Å; A334-F346 WeakPolarHBondContact O-CA 3.38Å; A334-F346 VanDerWaalsContact O-CB 3.28Å; A334-F346 WeakPolarHBondContact O-CB 3.42Å; Y344-F346 AromaticContact CD1-CD1 3.77Å; Y344-F346 HydrophobicContact CD1-CD1 3.77Å; Y344-F346 HydrophobicContact CD1-CE1 4.15Å; Y344-F346 AromaticContact CE1-CD1 3.56Å; Y344-F346 HydrophobicContact CE1-CD1 3.56Å; Y344-F346 HydrophobicContact CE1-CE1 4.11Å; Y344-F346 HydrophobicContact CE1-CG 4.48Å; F346-I348 HydrophobicContact CD2-CG2 3.74Å; F346-I348 HydrophobicContact CE2-CG2 3.55Å; F346-V359 HydrophobicContact CD2-CB 4.18Å; F346-V359 HydrophobicContact CE1-CB 4.24Å; F346-V359 HydrophobicContact CE1-CG1 4.09Å; F346-V359 HydrophobicContact CE2-CB 3.8Å; F346-V359 HydrophobicContact CE2-CG1 4.08Å; F346-V359 HydrophobicContact CE2-CG2 4.08Å; F346-V359 HydrophobicContact CZ-CB 3.84Å; F346-V359 HydrophobicContact CZ-CG1 3.65Å; F346-V359 HydrophobicContact CZ-CG2 4.5Å; F346-V359 PolarHBondContact N-O 2.99Å; F346-V359 PolarHBondContact O-N 3.3Å; F346-V361 HydrophobicContact CE1-CG2 3.69Å; F346-V361 HydrophobicContact CZ-CG2 4.32Å; F346-V370 HydrophobicContact CB-CG2 4.04Å; F346-V370 HydrophobicContact CD1-CG2 3.68Å; F346-V370 HydrophobicContact CD2-CG2 3.8Å; F346-V370 HydrophobicContact CE1-CG1 4.29Å; F346-V370 HydrophobicContact CE1-CG2 3.99Å; F346-V370 HydrophobicContact CE2-CG2 4.11Å; F346-V370 HydrophobicContact CG-CG2 3.57Å; F346-V370 HydrophobicContact CZ-CG1 4.26Å; F346-V370 HydrophobicContact CZ-CG2 4.19Å; F346-V376 HydrophobicContact CE2-CG1 4.45Å; F346-V376 HydrophobicContact CE2-CG2 4.3Å; F346-V376 HydrophobicContact CZ-CG1 4.44Å
347C89.4Confident78.4Confident0 Ų053.9 Ų53.90%026%0.262CS..EExtended strand (participates in β ladder)trans-97.5133.5179.7-66.40000110.6V332 V333 A334 F357V332-C347 CarbonylContact C-O 3.38Å; V332-C347 WeakPolarHBondContact CA-O 3.28Å; V333-C347 HydrophobicContact CG2-CB 3.6Å; V333-C347 PolarHBondContact N-O 3.01Å; A334-C347 HydrophobicContact CB-CB 4.18Å; A334-C347 PolarHBondContact O-N 3.18Å; C347-F357 CarbonylContact C-O 3.38Å; C347-F357 VanDerWaalsContact CA-O 3.25Å; C347-F357 WeakPolarHBondContact CA-O 3.33Å
348I86.7Confident78.7Confident2 Ų246.1 Ų46.11%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-114.8149.617165.9172000111L315 T331 V332 F346 C356 F357 V359 I378L315-I348 HydrophobicContact CD1-CD1 4.28Å; L315-I348 HydrophobicContact CD1-CG1 4.13Å; L315-I348 HydrophobicContact CD2-CD1 4.04Å; T331-I348 WeakPolarHBondContact O-CA 3.21Å; V332-I348 HydrophobicContact CG2-CG2 4.34Å; F346-I348 HydrophobicContact CD2-CG2 3.74Å; F346-I348 HydrophobicContact CE2-CG2 3.55Å; I348-C356 WeakPolarHBondContact O-CA 3.47Å; I348-F357 HydrophobicContact CG1-CB 4.16Å; I348-F357 PolarHBondContact N-O 3.21Å; I348-F357 PolarHBondContact O-N 3.48Å; I348-V359 HydrophobicContact CB-CG2 4.4Å; I348-V359 HydrophobicContact CD1-CG2 3.66Å; I348-V359 HydrophobicContact CG1-CG2 3.7Å; I348-V359 HydrophobicContact CG2-CG2 3.91Å; I348-I378 HydrophobicContact CD1-CD1 3.81Å
349M82.3Confident79Confident11 Ų1145.9 Ų45.95%0.05424%0.238CC..EExtended strand (participates in β ladder)trans-129.2144.6171.9-71.1-173.962.400111.3K272 L280 G330 T331 V333 C356K272-M349 HydrophobicContact CB-CE 4.44Å; K272-M349 HydrophobicContact CB-SD 3.73Å; K272-M349 HydrophobicContact CD-CE 3.9Å; K272-M349 HydrophobicContact CD-SD 4.28Å; K272-M349 HydrophobicContact CG-CE 4.27Å; K272-M349 HydrophobicContact CG-SD 4.02Å; L280-M349 HydrophobicContact CD1-CE 4.24Å; L280-M349 HydrophobicContact CD2-CE 3.75Å; L280-M349 HydrophobicContact CD2-SD 3.46Å; L280-M349 WeakPolarHBondContact CD2-SD 3.38Å; G330-M349 CarbonylContact C-O 3.6Å; G330-M349 WeakPolarHBondContact CA-O 3.37Å; T331-M349 PolarHBondContact N-O 2.73Å; T331-M349 PolarHBondContact O-N 2.82Å; V333-M349 HydrophobicContact CB-SD 4.45Å; V333-M349 HydrophobicContact CG1-CB 4.01Å; V333-M349 HydrophobicContact CG1-CG 3.84Å; V333-M349 HydrophobicContact CG1-SD 3.82Å; V333-M349 HydrophobicContact CG2-CG 3.94Å; V333-M349 HydrophobicContact CG2-SD 4.14Å; M349-C356 HydrophobicContact CG-CB 3.81Å; M349-C356 HydrophobicContact SD-CB 4.26Å
350D76.7Confident79.4Confident11 Ų1141.2 Ų41.26%0.05922%0.219CC..  trans-85.3163.4172.182.910.8000111.7P314 L315 V352 N353P314-D350 WeakPolarHBondContact CB-OD2 3.45Å; L315-D350 HydrophobicContact CB-CB 4.01Å; L315-D350 HydrophobicContact CD1-CB 3.83Å; L315-D350 HydrophobicContact CG-CB 3.82Å; L315-D350 PolarHBondContact N-OD2 3.28Å; D350-V352 PolarHBondContact O-N 2.98Å; D350-V352 PolarHBondContact OD1-N 3Å; D350-N353 PolarHBondContact OD1-N 2.77Å
351A62.2Low79.9Confident31 Ų3138.3 Ų38.326%0.25621%0.209SC..SBendtrans-71.6-11.9-17400000114.8A284 V288A284-A351 VanDerWaalsContact C-CB 3.4Å; A284-A351 HydrophobicContact CB-CB 3.72Å; A284-A351 WeakPolarHBondContact CB-O 3.35Å; A284-A351 WeakPolarHBondContact O-CB 3.1Å; V288-A351 HydrophobicContact CG2-CB 3.56Å
352V59.7Low80.5Confident104 Ų10435.3 Ų35.363%0.6319%0.19SC*.SBendtrans-122.4-30.6-153.9-172.20000111.6D350D350-V352 PolarHBondContact O-N 2.98Å; D350-V352 PolarHBondContact OD1-N 3Å
353N56.4Low80.5Confident48 Ų4837.9 Ų37.926%0.25720%0.204SC..SBendtrans-135.316.4-156.6-64.5-58.2000117R316 D350 E355R316-N353 HydrophobicContact CB-CB 4.24Å; D350-N353 PolarHBondContact OD1-N 2.77Å; N353-E355 PolarHBondContact O-N 3.33Å
354D65.6Low80.1Confident66 Ų6639.5 Ų39.535%0.35321%0.211SC..  trans60.711.1171.9-109.7-20.3000113.7K272 R277K272-D354 WeakPolarHBondContact CE-O 3.47Å; K272-D354 PolarHBondContact NZ-O 3.03Å; K272-D354 IonicContact NZ-OD1 3.17Å; K272-D354 PolarHBondContact NZ-OD1 3.45Å; K272-D354 IonicContact NZ-OD2 3.48Å; R277-D354 IonicContact NE-OD2 2.93Å; R277-D354 IonicContact NH2-OD2 3.97Å; R277-D354 PolarHBondContact NH2-OD2 3.5Å
355E76.4Confident79.6Confident88 Ų8841.1 Ų41.141%0.41123%0.233SC..  trans-87.3136178.2-70.1-64.5159.500110.6R316 N353 F357R316-E355 HydrophobicContact CB-CG 4.34Å; N353-E355 PolarHBondContact O-N 3.33Å; E355-F357 HydrophobicContact CB-CE2 4.09Å
356C83Confident78.6Confident15 Ų1550.2 Ų50.210%0.10128%0.275CS..EExtended strand (participates in β ladder)trans-124.9121.1-178.4-175.60000109.8V269 K272 I348 M349V269-C356 HydrophobicContact CG1-CB 4.31Å; K272-C356 HydrophobicContact CG-CB 4.46Å; I348-C356 WeakPolarHBondContact O-CA 3.47Å; M349-C356 HydrophobicContact CG-CB 3.81Å; M349-C356 HydrophobicContact SD-CB 4.26Å
357F88.2Confident77.9Confident54 Ų5457.8 Ų57.824%0.23732%0.316CS..EExtended strand (participates in β ladder)trans-110.9140.9179.8-78.6-104.9000110L315 C347 I348 E355 V383L315-F357 HydrophobicContact CB-CD2 3.98Å; L315-F357 HydrophobicContact CB-CE2 3.8Å; L315-F357 HydrophobicContact CD1-CD2 3.9Å; L315-F357 HydrophobicContact CD2-CD2 4.13Å; L315-F357 HydrophobicContact CD2-CG 4.45Å; L315-F357 HydrophobicContact CG-CD2 4.22Å; C347-F357 CarbonylContact C-O 3.38Å; C347-F357 VanDerWaalsContact CA-O 3.25Å; C347-F357 WeakPolarHBondContact CA-O 3.33Å; I348-F357 HydrophobicContact CG1-CB 4.16Å; I348-F357 PolarHBondContact N-O 3.21Å; I348-F357 PolarHBondContact O-N 3.48Å; E355-F357 HydrophobicContact CB-CE2 4.09Å; F357-V383 HydrophobicContact CD1-CG1 4.34Å; F357-V383 HydrophobicContact CE1-CG1 3.84Å
358V90.3Very high77.4Confident50 Ų5062 Ų6230%0.30333%0.334SS..EExtended strand (participates in β ladder)trans-84129.2165.4-174.80000107.8C265 V269 A345 T360C265-V358 HydrophobicContact CB-CG2 4.23Å; V269-V358 HydrophobicContact CG2-CG2 3.35Å; A345-V358 HydrophobicContact CB-CG1 4.26Å; V358-T360 HydrophobicContact CG1-CG2 4.47Å
359V90.6Very high76.9Confident21 Ų2164 Ų6413%0.12736%0.355CS..EExtended strand (participates in β ladder)trans-107.9122.7173.8-177.80000107.1A345 F346 I348 V361 I378A345-V359 VanDerWaalsContact CA-O 3.29Å; A345-V359 WeakPolarHBondContact CA-O 3.23Å; F346-V359 HydrophobicContact CD2-CB 4.18Å; F346-V359 HydrophobicContact CE1-CB 4.24Å; F346-V359 HydrophobicContact CE1-CG1 4.09Å; F346-V359 HydrophobicContact CE2-CB 3.8Å; F346-V359 HydrophobicContact CE2-CG1 4.08Å; F346-V359 HydrophobicContact CE2-CG2 4.08Å; F346-V359 HydrophobicContact CZ-CB 3.84Å; F346-V359 HydrophobicContact CZ-CG1 3.65Å; F346-V359 HydrophobicContact CZ-CG2 4.5Å; F346-V359 PolarHBondContact N-O 2.99Å; F346-V359 PolarHBondContact O-N 3.3Å; I348-V359 HydrophobicContact CB-CG2 4.4Å; I348-V359 HydrophobicContact CD1-CG2 3.66Å; I348-V359 HydrophobicContact CG1-CG2 3.7Å; I348-V359 HydrophobicContact CG2-CG2 3.91Å; V359-V361 HydrophobicContact CG1-CG2 4.3Å; V359-I378 HydrophobicContact CB-CD1 4.38Å; V359-I378 HydrophobicContact CG1-CD1 3.78Å; V359-I378 HydrophobicContact CG2-CD1 3.62Å
360T89.7Confident77Confident38 Ų3864 Ų6423%0.23336%0.356CS..EExtended strand (participates in β ladder)trans-102.8130.5173.946.90000109.1E229 P343 A345 V358E229-T360 WeakPolarHBondContact OE1-CB 3.4Å; E229-T360 WeakPolarHBondContact OE1-CG2 3.29Å; E229-T360 PolarHBondContact OE1-OG1 3.45Å; P343-T360 HydrophobicContact CB-CG2 4.14Å; P343-T360 HydrophobicContact CG-CG2 3.78Å; A345-T360 HydrophobicContact CB-CG2 4.24Å; V358-T360 HydrophobicContact CG1-CG2 4.47Å
361V85.2Confident77.2Confident34 Ų3469.5 Ų69.521%0.20638%0.383CS..EExtended strand (participates in β ladder)trans-116.7124.9177.2-176.60000108.4Y344 F346 V359 F364 F368Y344-V361 PolarHBondContact N-O 3.42Å; Y344-V361 PolarHBondContact O-N 3.47Å; F346-V361 HydrophobicContact CE1-CG2 3.69Å; F346-V361 HydrophobicContact CZ-CG2 4.32Å; V359-V361 HydrophobicContact CG1-CG2 4.3Å; V361-F364 HydrophobicContact CG1-CB 4.24Å; V361-F364 HydrophobicContact CG1-CD1 4.32Å; V361-F364 VanDerWaalsContact O-CD1 3.28Å; V361-F364 WeakPolarHBondContact O-CD1 3.34Å; V361-F364 VanDerWaalsContact O-CE1 3.32Å; V361-F364 WeakPolarHBondContact O-CE1 3.47Å; V361-F368 HydrophobicContact CB-CE1 4.14Å; V361-F368 HydrophobicContact CG1-CE1 3.82Å; V361-F368 HydrophobicContact CG1-CZ 4.14Å; V361-F368 HydrophobicContact CG2-CE1 4.26Å; V361-F368 HydrophobicContact CG2-CZ 4.47Å
362Y83.4Confident78.3Confident57 Ų5772.4 Ų72.422%0.22439%0.393CS..  trans-108166.4173.8-68.5-98000109.7R226 Y227 E229 I342 P343 F364R226-Y362 PolarHBondContact O-OH 3.37Å; R226-Y362 VanDerWaalsContact O-OH 3.08Å; Y227-Y362 AromaticContact CD1-CD1 3.85Å; Y227-Y362 HydrophobicContact CD1-CD1 3.85Å; Y227-Y362 AromaticContact CD1-CE1 3.99Å; Y227-Y362 HydrophobicContact CD1-CE1 3.99Å; Y227-Y362 AromaticContact CE1-CD1 3.74Å; Y227-Y362 HydrophobicContact CE1-CD1 3.74Å; Y227-Y362 HydrophobicContact CE1-CE1 4.17Å; Y227-Y362 HydrophobicContact CG-CE1 4.47Å; E229-Y362 HydrophobicContact CG-CE2 4.12Å; E229-Y362 WeakPolarHBondContact CG-OH 2.97Å; E229-Y362 WeakPolarHBondContact OE1-CE2 3.35Å; E229-Y362 PolarHBondContact OE1-OH 3.18Å; I342-Y362 HydrophobicContact CG2-CD1 3.74Å; I342-Y362 HydrophobicContact CG2-CE1 4.02Å; P343-Y362 HydrophobicContact CB-CD1 4.32Å; P343-Y362 HydrophobicContact CB-CD2 4.04Å; P343-Y362 HydrophobicContact CB-CE1 3.96Å; P343-Y362 HydrophobicContact CB-CE2 3.62Å; P343-Y362 HydrophobicContact CB-CG 4.37Å; P343-Y362 HydrophobicContact CG-CE1 4.36Å; P343-Y362 HydrophobicContact CG-CE2 4.13Å; Y362-F364 VanDerWaalsContact C-N 3.32Å; Y362-F364 PolarHBondContact O-N 3.36Å
363N74.5Confident79.1Confident116 Ų11671.2 Ų71.262%0.6238%0.381SS*.SBendtrans51.444.4177.6-163.217.6000114.4S180 Q181S180-N363 PolarHBondContact O-ND2 3.04Å; Q181-N363 PolarHBondContact OE1-OD1 2.88Å
364F76.9Confident80.3Confident40 Ų4073 Ų7318%0.17539%0.388CS..  trans-99.6150.4177.660.6-88000111.4I341 I342 Y344 V361 Y362 F368I341-F364 HydrophobicContact CG2-CE2 4.08Å; I341-F364 HydrophobicContact CG2-CZ 3.88Å; I341-F364 WeakPolarHBondContact O-CZ 3.42Å; I342-F364 HydrophobicContact CG1-CE1 4.15Å; I342-F364 HydrophobicContact CG1-CZ 4.09Å; Y344-F364 VanDerWaalsContact CB-CE1 3.49Å; V361-F364 HydrophobicContact CG1-CB 4.24Å; V361-F364 HydrophobicContact CG1-CD1 4.32Å; V361-F364 VanDerWaalsContact O-CD1 3.28Å; V361-F364 WeakPolarHBondContact O-CD1 3.34Å; V361-F364 VanDerWaalsContact O-CE1 3.32Å; V361-F364 WeakPolarHBondContact O-CE1 3.47Å; Y362-F364 VanDerWaalsContact C-N 3.32Å; Y362-F364 PolarHBondContact O-N 3.36Å; F364-F368 HydrophobicContact CB-CB 3.79Å; F364-F368 HydrophobicContact CB-CD1 3.6Å; F364-F368 HydrophobicContact CB-CE1 4.35Å; F364-F368 HydrophobicContact CB-CG 3.76Å; F364-F368 HydrophobicContact CD2-CB 4.02Å; F364-F368 HydrophobicContact CD2-CD1 4.1Å; F364-F368 HydrophobicContact CD2-CG 4.49Å; F364-F368 HydrophobicContact CG-CB 4.32Å; F364-F368 AromaticContact CG-CD1 3.92Å; F364-F368 HydrophobicContact CG-CD1 3.92Å; F364-F368 HydrophobicContact CG-CG 4.42Å
365A73.4Confident81Confident74 Ų7471.8 Ų71.861%0.61238%0.384SS*.  trans-69.9152.4173.300000110.9N367 F368A365-N367 PolarHBondContact O-N 3.45Å; A365-F368 WeakPolarHBondContact O-CB 3.42Å; A365-F368 PolarHBondContact O-N 3.5Å
366E68.8Low81.3Confident191 Ų19168.8 Ų68.889%0.89337%0.372SS*.THydrogen-bonded Turntrans-53.2-29.7-175.7-68.4-177.8165.800114.6
367N76.7Confident81.2Confident163 Ų16369.9 Ų69.987%0.87238%0.382SS*.THydrogen-bonded Turntrans-91.84.3179.9-62.8-29.6000114A365A365-N367 PolarHBondContact O-N 3.45Å
368F77.7Confident81Confident87 Ų8769.2 Ų69.238%0.38238%0.38SS..  trans-72.1134176.8176.3-95.2000110.4Y344 V361 F364 A365Y344-F368 HydrophobicContact CD1-CD1 4.22Å; Y344-F368 AromaticContact CD1-CE1 3.87Å; Y344-F368 HydrophobicContact CD1-CE1 3.87Å; Y344-F368 HydrophobicContact CE1-CE1 4.28Å; V361-F368 HydrophobicContact CB-CE1 4.14Å; V361-F368 HydrophobicContact CG1-CE1 3.82Å; V361-F368 HydrophobicContact CG1-CZ 4.14Å; V361-F368 HydrophobicContact CG2-CE1 4.26Å; V361-F368 HydrophobicContact CG2-CZ 4.47Å; F364-F368 HydrophobicContact CB-CB 3.79Å; F364-F368 HydrophobicContact CB-CD1 3.6Å; F364-F368 HydrophobicContact CB-CE1 4.35Å; F364-F368 HydrophobicContact CB-CG 3.76Å; F364-F368 HydrophobicContact CD2-CB 4.02Å; F364-F368 HydrophobicContact CD2-CD1 4.1Å; F364-F368 HydrophobicContact CD2-CG 4.49Å; F364-F368 HydrophobicContact CG-CB 4.32Å; F364-F368 AromaticContact CG-CD1 3.92Å; F364-F368 HydrophobicContact CG-CD1 3.92Å; F364-F368 HydrophobicContact CG-CG 4.42Å; A365-F368 WeakPolarHBondContact O-CB 3.42Å; A365-F368 PolarHBondContact O-N 3.5Å
369G77.8Confident80.7Confident44 Ų4470.1 Ų70.145%0.45438%0.383SS..  trans-169152.5172.700000110.3
370V83Confident80.3Confident13 Ų1371.5 Ų71.58%0.07939%0.388CS..  trans-107.5146.4169.2-57.20000109.3V332 I335 Y344 F346 V376V332-V370 HydrophobicContact CB-CG2 4.43Å; V332-V370 HydrophobicContact CG1-CG2 3.9Å; V332-V370 HydrophobicContact CG2-CB 4.11Å; V332-V370 HydrophobicContact CG2-CG2 3.73Å; I335-V370 VanDerWaalsContact CD1-O 3.26Å; I335-V370 WeakPolarHBondContact CD1-O 3.25Å; Y344-V370 HydrophobicContact CE1-CG2 4.06Å; Y344-V370 PolarHBondContact OH-N 3.4Å; Y344-V370 PolarHBondContact OH-O 3.38Å; F346-V370 HydrophobicContact CB-CG2 4.04Å; F346-V370 HydrophobicContact CD1-CG2 3.68Å; F346-V370 HydrophobicContact CD2-CG2 3.8Å; F346-V370 HydrophobicContact CE1-CG1 4.29Å; F346-V370 HydrophobicContact CE1-CG2 3.99Å; F346-V370 HydrophobicContact CE2-CG2 4.11Å; F346-V370 HydrophobicContact CG-CG2 3.57Å; F346-V370 HydrophobicContact CZ-CG1 4.26Å; F346-V370 HydrophobicContact CZ-CG2 4.19Å; V370-V376 HydrophobicContact CG1-CG2 4.19Å
371M82.1Confident80.1Confident125 Ų12570.1 Ų70.162%0.61638%0.38SS*.  trans-94.9149.3175.7-55.2-68.1-73.700110V332 Q374V332-M371 WeakPolarHBondContact CB-O 3.43Å; M371-Q374 HydrophobicContact CB-CG 3.86Å; M371-Q374 VanDerWaalsContact O-CB 3.26Å; M371-Q374 WeakPolarHBondContact O-CB 3.49Å; M371-Q374 PolarHBondContact O-N 3.42Å; M371-Q374 VanDerWaalsContact O-N 3.11Å
372I84.2Confident80Confident92 Ų9274.4 Ų74.447%0.47240%0.396SS..THydrogen-bonded Turntrans-57.3142.8169.9-56.2174.4000108.5I335 Q374I335-I372 HydrophobicContact CG1-CG1 4.37Å; I372-Q374 PolarHBondContact O-N 2.96Å
373E77.7Confident80Confident79 Ų7972.9 Ų72.937%0.36939%0.393SS..THydrogen-bonded Turntrans72.11.9-174.5-43.6-168140.300115.4R279 L283 V332R279-E373 IonicContact CZ-OE1 3.12Å; R279-E373 IonicContact NE-OE1 2.8Å; R279-E373 PolarHBondContact NE-OE1 3.2Å; R279-E373 VanDerWaalsContact NH2-CD 3.34Å; R279-E373 IonicContact NH2-OE1 2.68Å; R279-E373 PolarHBondContact NH2-OE1 3.06Å; R279-E373 IonicContact NH2-OE2 3.28Å; R279-E373 PolarHBondContact NH2-OE2 3.29Å; L283-E373 HydrophobicContact CD1-CG 4.23Å; L283-E373 HydrophobicContact CD2-CB 3.86Å; L283-E373 HydrophobicContact CD2-CG 3.83Å; V332-E373 PolarHBondContact O-N 2.85Å
374Q81.5Confident80.3Confident87 Ų8771.1 Ų71.141%0.40738%0.378SS..  trans-74.6140.2167.7-73-179.8-17.100111.1T331 V332 M371 I372T331-Q374 WeakPolarHBondContact CA-O 3.34Å; V332-Q374 WeakPolarHBondContact CG2-O 3.38Å; V332-Q374 PolarHBondContact N-O 2.7Å; M371-Q374 HydrophobicContact CB-CG 3.86Å; M371-Q374 VanDerWaalsContact O-CB 3.26Å; M371-Q374 WeakPolarHBondContact O-CB 3.49Å; M371-Q374 PolarHBondContact O-N 3.42Å; M371-Q374 VanDerWaalsContact O-N 3.11Å; I372-Q374 PolarHBondContact O-N 2.96Å
375S79.1Confident80.3Confident39 Ų3972.2 Ų72.227%0.27339%0.39SS..EExtended strand (participates in β ladder)trans-85.5128.8170.9-53.50000109.7G330G330-S375 WeakPolarHBondContact O-CA 3.24Å
376V83.2Confident80.2Confident26 Ų2671.8 Ų71.816%0.15838%0.38CS..EExtended strand (participates in β ladder)trans-119.1136.4179.9177.70000108.4S329 G330 V332 F346 V370 I378S329-V376 WeakPolarHBondContact CA-O 3.27Å; G330-V376 PolarHBondContact N-O 3.44Å; G330-V376 PolarHBondContact O-N 2.98Å; V332-V376 HydrophobicContact CG2-CG2 3.56Å; F346-V376 HydrophobicContact CE2-CG1 4.45Å; F346-V376 HydrophobicContact CE2-CG2 4.3Å; F346-V376 HydrophobicContact CZ-CG1 4.44Å; V370-V376 HydrophobicContact CG1-CG2 4.19Å; V376-I378 HydrophobicContact CG1-CG1 4.16Å
377A82.2Confident80.2Confident37 Ų3767.3 Ų67.331%0.30636%0.355SS..EExtended strand (participates in β ladder)trans-111.8129.6170.800000109.3V292 I327 V328V292-A377 HydrophobicContact CG1-CB 4.45Å; I327-A377 HydrophobicContact CD1-CB 4.08Å; I327-A377 HydrophobicContact CG1-CB 4.38Å; V328-A377 CarbonylContact O-C 3.47Å; V328-A377 VanDerWaalsContact O-CA 3.3Å; V328-A377 WeakPolarHBondContact O-CA 3.35Å
378I83.8Confident79.5Confident40 Ų4061.4 Ų61.421%0.20532%0.322CS..EExtended strand (participates in β ladder)trans-113.6119.6179.8-52.1172.1000107.6V328 I348 V359 V376 P381V328-I378 HydrophobicContact CG2-CB 3.7Å; V328-I378 HydrophobicContact CG2-CD1 4.37Å; V328-I378 HydrophobicContact CG2-CG1 4.34Å; V328-I378 PolarHBondContact N-O 2.96Å; V328-I378 PolarHBondContact O-N 2.77Å; I348-I378 HydrophobicContact CD1-CD1 3.81Å; V359-I378 HydrophobicContact CB-CD1 4.38Å; V359-I378 HydrophobicContact CG1-CD1 3.78Å; V359-I378 HydrophobicContact CG2-CD1 3.62Å; V376-I378 HydrophobicContact CG1-CG1 4.16Å; I378-P381 HydrophobicContact CG2-CB 3.92Å
379L84Confident78.7Confident70 Ų7062 Ų6237%0.36633%0.329SS..EExtended strand (participates in β ladder)trans-80.5132.3177.5-47.5176.7000108.4Y296 L310 I327Y296-L379 HydrophobicContact CD1-CD2 3.92Å; Y296-L379 HydrophobicContact CD2-CD2 3.76Å; Y296-L379 HydrophobicContact CE1-CD1 3.82Å; Y296-L379 HydrophobicContact CE1-CD2 3.92Å; Y296-L379 HydrophobicContact CE2-CD1 3.91Å; Y296-L379 HydrophobicContact CE2-CD2 3.8Å; Y296-L379 HydrophobicContact CE2-CG 4.47Å; Y296-L379 HydrophobicContact CG-CD2 3.84Å; Y296-L379 VanDerWaalsContact CZ-CD1 3.43Å; Y296-L379 WeakPolarHBondContact OH-CD1 3.4Å; L310-L379 HydrophobicContact CD1-CB 4.02Å; L310-L379 HydrophobicContact CD1-CD2 3.66Å; L310-L379 HydrophobicContact CD1-CG 4.35Å; I327-L379 HydrophobicContact CD1-CD2 3.37Å; I327-L379 HydrophobicContact CG1-CD2 3.93Å
380E81.9Confident77.6Confident50 Ų5061 Ų6123%0.23431%0.312CS..SBendtrans44.958.2173-57.8-174.5119.100113.2L310 N323 S324 G325 F326 F382 I594L310-E380 HydrophobicContact CD1-CG 4.49Å; L310-E380 HydrophobicContact CD2-CG 3.89Å; N323-E380 WeakPolarHBondContact O-CA 3.5Å; S324-E380 WeakPolarHBondContact CA-OE1 3.37Å; G325-E380 PolarHBondContact N-OE1 3.14Å; F326-E380 WeakPolarHBondContact O-CA 3.14Å; F326-E380 PolarHBondContact O-N 2.93Å; E380-F382 PolarHBondContact O-N 3.33Å; E380-I594 WeakPolarHBondContact OE2-CD1 3.49Å
381P84.3Confident76Confident9 Ų965.7 Ų65.76%0.05834%0.337CS..  trans-63.7132.6-169.527.3-35.7000111.4V318 N323 V328 I378 V383V318-P381 HydrophobicContact CG1-CG 4.34Å; N323-P381 HydrophobicContact CB-CG 3.98Å; N323-P381 WeakPolarHBondContact CB-O 3.36Å; N323-P381 PolarHBondContact N-O 3.37Å; N323-P381 VanDerWaalsContact N-O 3.11Å; N323-P381 PolarHBondContact ND2-O 3.06Å; V328-P381 HydrophobicContact CB-CG 4.48Å; V328-P381 HydrophobicContact CG1-CG 3.86Å; V328-P381 HydrophobicContact CG2-CB 4.12Å; V328-P381 HydrophobicContact CG2-CG 3.8Å; I378-P381 HydrophobicContact CG2-CB 3.92Å; P381-V383 HydrophobicContact CB-CG2 4.19Å
382F83.5Confident73.8Confident123 Ų12362.6 Ų62.654%0.53934%0.337SS..EExtended strand (participates in β ladder)trans-87.4119.6165-172.1-96.3000108.9G321 N322 E380 Y384G321-F382 WeakPolarHBondContact O-CA 3.17Å; N322-F382 HydrophobicContact CB-CD2 4.17Å; E380-F382 PolarHBondContact O-N 3.33Å; F382-Y384 AromaticContact CD1-CD1 3.83Å; F382-Y384 HydrophobicContact CD1-CD1 3.83Å; F382-Y384 HydrophobicContact CD1-CE1 4.45Å; F382-Y384 AromaticContact CE1-CD1 3.69Å; F382-Y384 HydrophobicContact CE1-CD1 3.69Å; F382-Y384 HydrophobicContact CE1-CE1 4.49Å; F382-Y384 HydrophobicContact CE1-CG 4.3Å
383V83.9Confident71.1Confident26 Ų2664.3 Ų64.316%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-123.9136.6-175.7175.80000110V318 T320 G321 F357 P381V318-V383 HydrophobicContact CG1-CB 4.03Å; V318-V383 HydrophobicContact CG1-CG1 4.44Å; V318-V383 HydrophobicContact CG1-CG2 3.41Å; V318-V383 VanDerWaalsContact CG1-CG2 3.41Å; T320-V383 CarbonylContact C-O 3.48Å; T320-V383 WeakPolarHBondContact CA-O 3.47Å; G321-V383 PolarHBondContact N-O 3.04Å; G321-V383 PolarHBondContact O-N 3.16Å; F357-V383 HydrophobicContact CD1-CG1 4.34Å; F357-V383 HydrophobicContact CE1-CG1 3.84Å; P381-V383 HydrophobicContact CB-CG2 4.19Å
384Y80.5Confident68.8Low79 Ų7968.1 Ų68.131%0.3137%0.365SS..  trans-147.6154.317562.1-74.1000108.9E229 F382 V386E229-Y384 HydrophobicContact CB-CE1 4.46Å; E229-Y384 HydrophobicContact CB-CE2 3.88Å; E229-Y384 WeakPolarHBondContact CB-OH 3.45Å; E229-Y384 WeakPolarHBondContact CG-OH 3.32Å; E229-Y384 PolarHBondContact OE1-OH 3.22Å; E229-Y384 WeakPolarHBondContact OE2-CE1 3.38Å; E229-Y384 PolarHBondContact OE2-OH 3.15Å; F382-Y384 AromaticContact CD1-CD1 3.83Å; F382-Y384 HydrophobicContact CD1-CD1 3.83Å; F382-Y384 HydrophobicContact CD1-CE1 4.45Å; F382-Y384 AromaticContact CE1-CD1 3.69Å; F382-Y384 HydrophobicContact CE1-CD1 3.69Å; F382-Y384 HydrophobicContact CE1-CE1 4.49Å; F382-Y384 HydrophobicContact CE1-CG 4.3Å; Y384-V386 HydrophobicContact CD2-CG2 4.01Å; Y384-V386 HydrophobicContact CE2-CG2 3.37Å
385S77.1Confident66.1Low62 Ų6271.9 Ų71.943%0.43438%0.38SS..  trans-94113.7-179.6-176.80000109.3R387S385-R387 PolarHBondContact O-N 3.47Å
386V71.8Confident63.6Low65 Ų6573.3 Ų73.339%0.39440%0.401SS..  trans-81.3112.6168.1-178.80000107.8Y231 Y384 F388Y231-V386 HydrophobicContact CD2-CG1 3.92Å; Y231-V386 HydrophobicContact CD2-CG2 4Å; Y231-V386 HydrophobicContact CE2-CG2 4.25Å; Y384-V386 HydrophobicContact CD2-CG2 4.01Å; Y384-V386 HydrophobicContact CE2-CG2 3.37Å; V386-F388 HydrophobicContact CG1-CB 4.26Å
387R67.9Low60.8Low97 Ų9776.3 Ų76.337%0.36644%0.438SS..  trans-111.8112.5170.4-66.8174.1178.7-179.1-5.7106.5S385 G398 T399 L400S385-R387 PolarHBondContact O-N 3.47Å; R387-G398 PolarHBondContact NH2-O 3.29Å; R387-T399 PolarHBondContact NH2-O 3.06Å; R387-L400 HydrophobicContact CG-CD1 4.36Å
388F62.9Low58.1Low40 Ų4076.9 Ų76.918%0.17545%0.447CS..  trans-133.1112.5-174.8-175.9-116.6000109.4E232 Y235 L262 V386 M390E232-F388 HydrophobicContact CB-CD2 4.04Å; E232-F388 HydrophobicContact CB-CE2 4.48Å; E232-F388 HydrophobicContact CG-CD2 4.27Å; E232-F388 HydrophobicContact CG-CE2 4.49Å; Y235-F388 AromaticContact CD1-CE2 3.81Å; Y235-F388 HydrophobicContact CD1-CE2 3.81Å; Y235-F388 AromaticContact CD1-CZ 3.63Å; Y235-F388 HydrophobicContact CD1-CZ 3.63Å; Y235-F388 HydrophobicContact CD2-CE1 4.17Å; Y235-F388 HydrophobicContact CD2-CE2 4.31Å; Y235-F388 AromaticContact CD2-CZ 3.41Å; Y235-F388 HydrophobicContact CD2-CZ 3.41Å; Y235-F388 VanDerWaalsContact CD2-CZ 3.41Å; Y235-F388 HydrophobicContact CE1-CZ 4.13Å; Y235-F388 AromaticContact CE2-CZ 3.92Å; Y235-F388 HydrophobicContact CE2-CZ 3.92Å; Y235-F388 HydrophobicContact CG-CE1 4.34Å; Y235-F388 AromaticContact CG-CE2 3.67Å; Y235-F388 HydrophobicContact CG-CE2 3.67Å; Y235-F388 AromaticContact CG-CZ 3.22Å; Y235-F388 HydrophobicContact CG-CZ 3.22Å; L262-F388 HydrophobicContact CD1-CD1 3.29Å; L262-F388 HydrophobicContact CD1-CE1 3.52Å; L262-F388 HydrophobicContact CD1-CG 3.98Å; L262-F388 HydrophobicContact CD1-CZ 4.46Å; L262-F388 HydrophobicContact CG-CD1 4.48Å; V386-F388 HydrophobicContact CG1-CB 4.26Å; F388-M390 HydrophobicContact CD1-CE 4.16Å; F388-M390 HydrophobicContact CD1-CG 3.69Å; F388-M390 HydrophobicContact CD1-SD 4.19Å; F388-M390 HydrophobicContact CE1-CB 4.35Å; F388-M390 HydrophobicContact CE1-CE 3.64Å; F388-M390 HydrophobicContact CE1-CG 3.37Å; F388-M390 HydrophobicContact CE1-SD 3.35Å; F388-M390 WeakPolarHBondContact CE1-SD 3.48Å; F388-M390 HydrophobicContact CZ-CG 4.28Å; F388-M390 HydrophobicContact CZ-SD 4.1Å; F388-M390 PolarHBondContact O-N 2.66Å
389D59.3Low55.2Low100 Ų10080.6 Ų80.654%0.53547%0.472SS..  trans-93.597.6176.3-165.5-2.2000108.6D391 G392D389-D391 PolarHBondContact O-N 2.7Å; D389-D391 PolarHBondContact OD1-N 3.48Å; D389-G392 WeakPolarHBondContact OD1-CA 3.31Å; D389-G392 PolarHBondContact OD1-N 2.82Å; D389-G392 WeakPolarHBondContact OD2-CA 3.42Å
390M56.2Low52.5Low22 Ų2281.7 Ų81.711%0.10848%0.477CS..SBendtrans-63.2-31.8179.3-84.1-86.8-158.900113.6Y235 C259 L262 R263 F388Y235-M390 HydrophobicContact CE2-SD 4.17Å; Y235-M390 PolarHBondContact OH-O 2.93Å; C259-M390 HydrophobicContact CB-CE 3.44Å; C259-M390 VanDerWaalsContact CB-CE 3.44Å; C259-M390 HydrophobicContact CB-SD 3.97Å; C259-M390 WeakPolarHBondContact O-CE 3.37Å; C259-M390 VanDerWaalsContact SG-CE 3.58Å; C259-M390 PolarHBondContact SG-SD 3.4Å; L262-M390 HydrophobicContact CB-CE 4.04Å; L262-M390 HydrophobicContact CD1-CE 4.35Å; R263-M390 HydrophobicContact CG-CE 4.05Å; F388-M390 HydrophobicContact CD1-CE 4.16Å; F388-M390 HydrophobicContact CD1-CG 3.69Å; F388-M390 HydrophobicContact CD1-SD 4.19Å; F388-M390 HydrophobicContact CE1-CB 4.35Å; F388-M390 HydrophobicContact CE1-CE 3.64Å; F388-M390 HydrophobicContact CE1-CG 3.37Å; F388-M390 HydrophobicContact CE1-SD 3.35Å; F388-M390 WeakPolarHBondContact CE1-SD 3.48Å; F388-M390 HydrophobicContact CZ-CG 4.28Å; F388-M390 HydrophobicContact CZ-SD 4.1Å; F388-M390 PolarHBondContact O-N 2.66Å
391D49.7Very low50.2Low111 Ų11184.4 Ų84.459%0.59449%0.493SS*.SBendtrans-161.742.8-157-70-55000110.8R263 D389 E393R263-D391 IonicContact NH2-OD2 3.22Å; R263-D391 PolarHBondContact NH2-OD2 3.1Å; R263-D391 VanDerWaalsContact NH2-OD2 3.09Å; D389-D391 PolarHBondContact O-N 2.7Å; D389-D391 PolarHBondContact OD1-N 3.48Å; D391-E393 PolarHBondContact O-N 3.31Å
392G35.2Very low48.1Very low60 Ų6087.7 Ų87.762%0.61950%0.504SS*.SBendtrans60.1-5.2167.500000119.3D389D389-G392 WeakPolarHBondContact OD1-CA 3.31Å; D389-G392 PolarHBondContact OD1-N 2.82Å; D389-G392 WeakPolarHBondContact OD2-CA 3.42Å
393E26.3Very low46.9Very low128 Ų12884.4 Ų84.460%0.59849%0.492SS*.  trans-162.1114.6169.4-72.7-153.6134.100110.9D391 R451D391-E393 PolarHBondContact O-N 3.31Å; E393-R451 IonicContact OE1-CZ 3.67Å; E393-R451 IonicContact OE1-NH1 2.84Å; E393-R451 PolarHBondContact OE1-NH1 2.67Å; E393-R451 IonicContact OE1-NH2 2.76Å; E393-R451 PolarHBondContact OE1-NH2 3.33Å
394L30.4Very low46.1Very low159 Ų15988.8 Ų88.883%0.83251%0.511SS*.  trans-161.8132.4138.2-103.4155.9000111.6
395K24.8Very low46Very low166 Ų16685.1 Ų85.172%0.72250%0.497SS*.  trans-84.2141.9-175.4-66.8170.2171.6175.60110.7
396G26.7Very low46.4Very low69 Ų6988.1 Ų88.171%0.71150%0.498SS*.  trans171.295.616100000115.5
397G24.3Very low47.3Very low90 Ų9085.1 Ų85.193%0.92848%0.481SS*.SBendtrans71.188144.600000119.8
398G24.7Very low48.4Very low49 Ų4983.2 Ų83.251%0.50547%0.474SS..SBendtrans143.491.3163.600000112.2R387 L400R387-G398 PolarHBondContact NH2-O 3.29Å; G398-L400 PolarHBondContact O-N 3.41Å
399T24.7Very low49.8Very low117 Ų11781.3 Ų81.372%0.71847%0.465SS*.  trans3.380.4175.60.60000113.8R387R387-T399 PolarHBondContact NH2-O 3.06Å
400L27.5Very low51.5Low93 Ų9381.1 Ų81.149%0.48746%0.457SS..  trans-92.3110.1174.8-117.7140.4000105.1R387 G398 R402R387-L400 HydrophobicContact CG-CD1 4.36Å; G398-L400 PolarHBondContact O-N 3.41Å; L400-R402 PolarHBondContact O-N 3.12Å
401L32.1Very low53.3Low108 Ų10880.1 Ų80.157%0.56545%0.452SS*.  trans-52.7100.1162.5-80.4164.2000106.2D403L401-D403 PolarHBondContact O-N 2.88Å
402R41.3Very low55.4Low77 Ų7775 Ų7529%0.29143%0.425SS..  trans-7985.6179.9-170.4176.4-164.9161.311.6105.6L400 H404 L441 A445L400-R402 PolarHBondContact O-N 3.12Å; R402-H404 WeakPolarHBondContact CG-O 3.2Å; R402-H404 PolarHBondContact O-N 3.49Å; R402-L441 WeakPolarHBondContact O-CB 3.46Å; R402-L441 WeakPolarHBondContact O-CD1 3.21Å; R402-A445 VanDerWaalsContact NH1-CB 3.33Å
403D57.3Low58.2Low54 Ų5477 Ų7729%0.28942%0.417SS..  trans-70.6-18.7-175.2-63.9-21.7000112L401 D530 L531L401-D403 PolarHBondContact O-N 2.88Å; D403-D530 CarbonylContact O-C 3.59Å; D403-D530 VanDerWaalsContact O-CA 3.26Å; D403-D530 WeakPolarHBondContact O-CA 3.3Å; D403-L531 PolarHBondContact O-N 2.89Å
404H67.5Low61.4Low118 Ų11871 Ų7155%0.54639%0.39SS..EExtended strand (participates in β ladder)trans-127.6129.3-179.8-59.3-68.2000111.8R402 L529 D530R402-H404 WeakPolarHBondContact CG-O 3.2Å; R402-H404 PolarHBondContact O-N 3.49Å; H404-L529 CarbonylContact C-O 3.52Å; H404-L529 WeakPolarHBondContact CA-O 3.39Å; H404-D530 IonicContact CE1-OD1 2.67Å; H404-D530 IonicContact CG-OD1 3.5Å; H404-D530 IonicContact ND1-OD1 3.49Å; H404-D530 PolarHBondContact ND1-OD1 3.12Å; H404-D530 IonicContact ND1-OD2 3.51Å
405L77.7Confident64.3Low3 Ų363.5 Ų63.52%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-135.4111.1175.3-171.568000111V407 L441 L444 A445 L529L405-V407 HydrophobicContact CD2-CG1 3.72Å; L405-V407 HydrophobicContact CG-CG1 3.6Å; L405-L441 HydrophobicContact CB-CD1 4.42Å; L405-L441 HydrophobicContact CB-CD2 4.14Å; L405-L441 HydrophobicContact CD2-CD2 4.16Å; L405-L444 HydrophobicContact CD2-CD2 3.92Å; L405-L444 HydrophobicContact CD2-CG 4.2Å; L405-A445 HydrophobicContact CD1-CB 3.79Å; L405-A445 HydrophobicContact CD2-CB 4.24Å; L405-L529 HydrophobicContact CB-CB 4.36Å; L405-L529 PolarHBondContact N-O 2.93Å; L405-L529 PolarHBondContact O-N 2.72Å
406R87Confident67.6Low124 Ų12458.5 Ų58.547%0.46833%0.33SS..EExtended strand (participates in β ladder)trans-83.6122.8171.2-168.8173.7176.9-128.1-1.6109.7D487 I526 I527 R528R406-D487 IonicContact CZ-OD1 3.33Å; R406-D487 IonicContact CZ-OD2 2.64Å; R406-D487 IonicContact NE-OD1 3.13Å; R406-D487 PolarHBondContact NE-OD1 2.68Å; R406-D487 IonicContact NE-OD2 3.35Å; R406-D487 IonicContact NH2-OD1 2.72Å; R406-D487 PolarHBondContact NH2-OD1 2.64Å; R406-D487 IonicContact NH2-OD2 2.81Å; R406-D487 PolarHBondContact NH2-OD2 2.83Å; R406-I526 HydrophobicContact CG-CG2 3.47Å; R406-I526 VanDerWaalsContact CG-CG2 3.47Å; R406-I527 WeakPolarHBondContact CA-O 2.97Å; R406-R528 HydrophobicContact CB-CG 4.45Å; R406-R528 HydrophobicContact CG-CG 4.23Å
407V89.5Confident70.5Confident3 Ų355.8 Ų55.82%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-132.5147.4-174.9-55.70000111.3L405 V409 R451 F453 I526 I527 L529L405-V407 HydrophobicContact CD2-CG1 3.72Å; L405-V407 HydrophobicContact CG-CG1 3.6Å; V407-V409 HydrophobicContact CG2-CG1 4.31Å; V407-R451 HydrophobicContact CG1-CB 4.48Å; V407-F453 HydrophobicContact CB-CD2 4.1Å; V407-F453 HydrophobicContact CB-CE2 3.83Å; V407-F453 HydrophobicContact CG1-CE2 3.87Å; V407-F453 HydrophobicContact CG2-CD2 4.2Å; V407-F453 HydrophobicContact CG2-CE2 4.09Å; V407-I526 WeakPolarHBondContact O-CA 3.35Å; V407-I527 HydrophobicContact CG2-CD1 3.92Å; V407-I527 HydrophobicContact CG2-CG1 3.43Å; V407-I527 VanDerWaalsContact CG2-CG1 3.43Å; V407-I527 PolarHBondContact N-O 3.4Å; V407-I527 PolarHBondContact O-N 3.41Å; V407-L529 HydrophobicContact CG1-CD1 4.37Å; V407-L529 HydrophobicContact CG2-CD1 4.16Å; V407-L529 HydrophobicContact CG2-CG 4.25Å
408Y92.2Very high73.6Confident56 Ų5654.1 Ų54.122%0.2227%0.272CS..EExtended strand (participates in β ladder)trans-96.1124175175.5-96000109.7R410 R451 R452 F453 S524 I526Y408-R410 HydrophobicContact CE1-CB 3.68Å; Y408-R410 WeakPolarHBondContact OH-CD 3.29Å; Y408-R451 PolarHBondContact N-O 2.93Å; Y408-R452 HydrophobicContact CD1-CB 4.24Å; Y408-R452 HydrophobicContact CD1-CG 3.87Å; Y408-R452 HydrophobicContact CG-CG 4.3Å; Y408-R452 CarbonylContact O-C 3.55Å; Y408-R452 WeakPolarHBondContact O-CA 3.45Å; Y408-F453 PolarHBondContact O-N 3.18Å; Y408-S524 WeakPolarHBondContact OH-CB 3.44Å; Y408-I526 HydrophobicContact CD2-CG1 4.13Å
409V92.5Very high76.6Confident0 Ų058.1 Ų58.10%028%0.275CS..EExtended strand (participates in β ladder)trans-115.9136.3178.7-65.30000110.2V407 V431 F453 V504 A505 S524 Y525 I527V407-V409 HydrophobicContact CG2-CG1 4.31Å; V409-V431 HydrophobicContact CB-CG1 4.42Å; V409-V431 HydrophobicContact CG1-CG1 4.3Å; V409-F453 WeakPolarHBondContact CA-O 3.34Å; V409-F453 HydrophobicContact CG1-CB 4.39Å; V409-F453 HydrophobicContact CG1-CD2 4.34Å; V409-V504 HydrophobicContact CB-CG2 4.26Å; V409-V504 HydrophobicContact CG1-CG2 4.02Å; V409-V504 HydrophobicContact CG2-CB 4.44Å; V409-V504 HydrophobicContact CG2-CG2 4.38Å; V409-A505 HydrophobicContact CB-CB 4.28Å; V409-A505 HydrophobicContact CG2-CB 4.23Å; V409-S524 VanDerWaalsContact O-CA 3.27Å; V409-S524 WeakPolarHBondContact O-CA 3.37Å; V409-Y525 WeakPolarHBondContact CG2-O 3.4Å; V409-Y525 PolarHBondContact N-O 3.36Å; V409-Y525 PolarHBondContact O-N 2.8Å; V409-I527 HydrophobicContact CG1-CD1 3.71Å; V409-I527 HydrophobicContact CG1-CG1 4.12Å; V409-I527 HydrophobicContact CG2-CD1 4.25Å; V409-I527 HydrophobicContact CG2-CG1 4.35Å; V409-I527 HydrophobicContact CG2-CG2 4.15Å
410R94.4Very high79.6Confident97 Ų9762.7 Ų62.737%0.36628%0.279SS..EExtended strand (participates in β ladder)trans-147.3127.8179.7179.2-179.2-178.6-179.92.5111.5Y408 V431 F453 V454 A455 P522 T523Y408-R410 HydrophobicContact CE1-CB 3.68Å; Y408-R410 WeakPolarHBondContact OH-CD 3.29Å; R410-V431 VanDerWaalsContact O-CG2 3.24Å; R410-V431 WeakPolarHBondContact O-CG2 3.36Å; R410-F453 PolarHBondContact N-O 3.01Å; R410-V454 HydrophobicContact CB-CG1 4.41Å; R410-V454 HydrophobicContact CB-CG2 4.33Å; R410-V454 HydrophobicContact CG-CG1 4.47Å; R410-V454 VanDerWaalsContact O-CA 3.31Å; R410-V454 WeakPolarHBondContact O-CA 3.45Å; R410-A455 PolarHBondContact O-N 3.16Å; R410-P522 HydrophobicContact CG-CG 4.11Å; R410-T523 WeakPolarHBondContact CA-O 3.4Å
411G94.3Very high82.4Confident1 Ų162.2 Ų62.21%0.0127%0.271CS..PPolyproline II helixtrans-66.7168.4171.600000113.3P522 T523G411-P522 WeakPolarHBondContact O-CB 2.96Å; G411-P522 WeakPolarHBondContact O-CG 3.45Å; G411-T523 PolarHBondContact N-O 3.46Å
412G93.6Very high84.8Confident2 Ų262.7 Ų62.72%0.02128%0.275CS..PPolyproline II helixtrans-71.9144.5174.300000112.4G428 G429 G456 G507 G508 P522G412-G428 WeakPolarHBondContact O-CA 3.07Å; G412-G429 PolarHBondContact N-O 3.32Å; G412-G456 VanDerWaalsContact CA-O 3.23Å; G412-G456 WeakPolarHBondContact CA-O 3.18Å; G412-G507 WeakPolarHBondContact O-CA 3.24Å; G412-G508 PolarHBondContact O-N 3.38Å; G412-P522 WeakPolarHBondContact O-CB 3.05Å
413K94.2Very high87Confident103 Ų10359 Ų5945%0.44826%0.261SS..PPolyproline II helixtrans-69.9140.3169.5-168.6-172.4173.3-171.40109.8R457 G458K413-R457 CarbonylContact O-C 3.52Å; K413-R457 WeakPolarHBondContact O-CA 2.92Å; K413-G458 PolarHBondContact O-N 3.43Å
414G92.4Very high88.6Confident3 Ų360.5 Ų60.53%0.03127%0.268CS..PPolyproline II helixtrans-63.714217000000111.7G508 G519 A520G414-G508 VanDerWaalsContact CA-O 3.23Å; G414-G508 WeakPolarHBondContact CA-O 2.79Å; G414-G508 PolarHBondContact N-O 2.81Å; G414-G519 WeakPolarHBondContact O-CA 3.43Å; G414-A520 PolarHBondContact N-O 2.94Å
415G92.1Very high89.7Confident1 Ų155 Ų551%0.0124%0.243CC..PPolyproline II helixtrans-66.3152.6173.300000111.5G426 G458 D460 G511 G519G415-G426 PolarHBondContact N-O 2.73Å; G415-G458 WeakPolarHBondContact CA-O 3.27Å; G415-D460 WeakPolarHBondContact CA-OD1 3.47Å; G415-G511 PolarHBondContact O-N 3.31Å; G415-G519 VanDerWaalsContact O-CA 3.26Å; G415-G519 WeakPolarHBondContact O-CA 3.08Å
416Q93.2Very high90.4Very high60 Ų6055 Ų5528%0.2824%0.244SC..PPolyproline II helixtrans-76140.7174.5-54.4-55.9-55.600110.4D460 S461Q416-D460 HydrophobicContact CB-CB 4.36Å; Q416-D460 PolarHBondContact N-OD1 3.47Å; Q416-D460 CarbonylContact O-C 3.49Å; Q416-D460 VanDerWaalsContact O-CA 3.25Å; Q416-D460 WeakPolarHBondContact O-CA 2.97Å; Q416-S461 PolarHBondContact O-N 2.84Å
417G89.1Confident90.6Very high12 Ų1252.5 Ų52.512%0.12424%0.24CC..PPolyproline II helixtrans-84.7162.8169.700000111.7G423 G511 Y517G417-G423 CarbonylContact C-O 3.54Å; G417-G423 WeakPolarHBondContact CA-O 3.46Å; G417-G511 VanDerWaalsContact CA-O 3.31Å; G417-G511 WeakPolarHBondContact CA-O 3.35Å; G417-Y517 PolarHBondContact N-O 3.29Å
418L88.8Confident90.8Very high56 Ų5652.4 Ų52.429%0.29324%0.24SC..BIsolated β-bridgetrans-106.699.3174-80.7173.6000110.8R420 Y421 N422 G423 S461L418-R420 PolarHBondContact O-N 3.42Å; L418-R420 VanDerWaalsContact O-N 3.14Å; L418-Y421 HydrophobicContact CB-CD2 4.43Å; L418-Y421 HydrophobicContact CD1-CD2 4.22Å; L418-Y421 CarbonylContact O-C 3.51Å; L418-Y421 PolarHBondContact O-N 2.61Å; L418-N422 PolarHBondContact O-N 2.85Å; L418-G423 PolarHBondContact N-O 3.07Å; L418-G423 PolarHBondContact O-N 3.44Å; L418-S461 WeakPolarHBondContact CD1-O 3.01Å; L418-S461 WeakPolarHBondContact CG-O 3.44Å
419K87.7Confident90.9Very high132 Ų13249.7 Ų49.757%0.57423%0.229SC*.G310 helixtrans-52.4-37.2179.1-170.6165.3-170.1162.50113.9Y421 D516 Y517K419-Y421 VanDerWaalsContact C-N 3.26Å; K419-Y421 PolarHBondContact O-N 3.04Å; K419-D516 IonicContact NZ-OD1 2.69Å; K419-D516 PolarHBondContact NZ-OD1 3.49Å; K419-Y517 HydrophobicContact CB-CD2 3.58Å; K419-Y517 HydrophobicContact CB-CE2 3.95Å; K419-Y517 HydrophobicContact CB-CG 3.91Å; K419-Y517 HydrophobicContact CD-CD2 4.1Å; K419-Y517 HydrophobicContact CD-CE2 4.43Å; K419-Y517 HydrophobicContact CG-CD2 3.67Å; K419-Y517 HydrophobicContact CG-CE2 3.71Å; K419-Y517 HydrophobicContact CG-CG 4.5Å
420R87.2Confident91Very high213 Ų21351.1 Ų51.180%0.80424%0.237SC*.G310 helixtrans-66.8-25.4-179.6-171174.5-175-179.73113.7L418L418-R420 PolarHBondContact O-N 3.42Å; L418-R420 VanDerWaalsContact O-N 3.14Å
421Y85.5Confident91Very high83 Ų8346.5 Ų46.533%0.32522%0.219SC..G310 helixtrans-123.312-172.4-61.9-72.6000112.9L418 K419 G423 K463 L466L418-Y421 HydrophobicContact CB-CD2 4.43Å; L418-Y421 HydrophobicContact CD1-CD2 4.22Å; L418-Y421 CarbonylContact O-C 3.51Å; L418-Y421 PolarHBondContact O-N 2.61Å; K419-Y421 VanDerWaalsContact C-N 3.26Å; K419-Y421 PolarHBondContact O-N 3.04Å; Y421-G423 PolarHBondContact O-N 3.14Å; Y421-G423 VanDerWaalsContact O-N 3.15Å; Y421-K463 HydrophobicContact CE1-CG 4.29Å; Y421-K463 HydrophobicContact CE2-CB 4.22Å; Y421-K463 HydrophobicContact CE2-CD 4.45Å; Y421-K463 HydrophobicContact CE2-CG 3.97Å; Y421-L466 HydrophobicContact CG-CD2 4.4Å
422N84.6Confident91Very high118 Ų11847.9 Ų47.963%0.63123%0.226SC*.THydrogen-bonded Turntrans49.733.9-169.4-63.3-23.8000113L418 Y517L418-N422 PolarHBondContact O-N 2.85Å; N422-Y517 PolarHBondContact OD1-OH 3.27Å
423G86.8Confident91Very high0 Ų047.8 Ų47.80%023%0.225CC..BIsolated β-bridgetrans-72.1132.3179.700000111.2G417 L418 Y421 S461 L466 Y517G417-G423 CarbonylContact C-O 3.54Å; G417-G423 WeakPolarHBondContact CA-O 3.46Å; L418-G423 PolarHBondContact N-O 3.07Å; L418-G423 PolarHBondContact O-N 3.44Å; Y421-G423 PolarHBondContact O-N 3.14Å; Y421-G423 VanDerWaalsContact O-N 3.15Å; G423-S461 PolarHBondContact O-OG 3.11Å; G423-L466 CarbonylContact C-O 3.57Å; G423-L466 VanDerWaalsContact C-O 3.32Å; G423-L466 WeakPolarHBondContact CA-O 3.44Å; G423-Y517 VanDerWaalsContact O-CD1 3.26Å; G423-Y517 WeakPolarHBondContact O-CD1 3.16Å
424I90.7Very high91Very high85 Ų8545 Ų4544%0.43621%0.214SC..BIsolated β-bridgetrans-95.9120.3176.8-58.3173.1000108.8S461 L466 I467 G468 G511 C512I424-S461 PolarHBondContact N-OG 3.23Å; I424-S461 VanDerWaalsContact N-OG 3.08Å; I424-S461 PolarHBondContact O-OG 3.41Å; I424-L466 PolarHBondContact N-O 2.75Å; I424-I467 CarbonylContact O-C 3.47Å; I424-I467 WeakPolarHBondContact O-CA 3.45Å; I424-G468 PolarHBondContact O-N 2.94Å; I424-G511 CarbonylContact C-O 3.22Å; I424-G511 WeakPolarHBondContact CA-O 3.16Å; I424-C512 HydrophobicContact CG1-CB 4.41Å; I424-C512 HydrophobicContact CG2-CB 4.23Å
425G89.6Confident90.7Very high3 Ų345 Ų453%0.03121%0.213CC..PPolyproline II helixtrans-68.4151.6173.800000110.7S461 G510 G511G425-S461 PolarHBondContact N-OG 3.18Å; G425-S461 VanDerWaalsContact N-OG 3.16Å; G425-G510 VanDerWaalsContact O-CA 3.27Å; G425-G510 WeakPolarHBondContact O-CA 3.46Å; G425-G511 PolarHBondContact N-O 3.06Å
426G92.9Very high90.3Very high4 Ų445.8 Ų45.84%0.04122%0.219CC..PPolyproline II helixtrans-74.1149.8176.400000112.2G415 G458 Q459 G468 G510G415-G426 PolarHBondContact N-O 2.73Å; G426-G458 WeakPolarHBondContact O-CA 3.42Å; G426-Q459 PolarHBondContact N-O 3.34Å; G426-G468 WeakPolarHBondContact CA-O 3.45Å; G426-G468 PolarHBondContact N-O 2.62Å; G426-G510 WeakPolarHBondContact O-CA 3.3Å
427D92.5Very high89.3Confident70 Ų7050 Ų5037%0.37424%0.238SC..PPolyproline II helixtrans-66.6152.1173-67.5-24.6000111.1G458 K470 G471 L509 G510D427-G458 WeakPolarHBondContact O-CA 3.36Å; D427-K470 HydrophobicContact CB-CD 4.45Å; D427-K470 HydrophobicContact CB-CG 4.17Å; D427-K470 CarbonylContact O-C 3.53Å; D427-K470 VanDerWaalsContact O-CA 3.3Å; D427-K470 WeakPolarHBondContact O-CA 3.4Å; D427-G471 PolarHBondContact O-N 2.83Å; D427-L509 WeakPolarHBondContact OD1-CA 3.32Å; D427-G510 PolarHBondContact OD1-N 3.09Å
428G93Very high88.6Confident1 Ų158 Ų581%0.0127%0.269CS..PPolyproline II helixtrans-67.3153.9168.200000112.3G412 K470 G508G412-G428 WeakPolarHBondContact O-CA 3.07Å; G428-K470 WeakPolarHBondContact O-CE 3.47Å; G428-G508 PolarHBondContact N-O 3.29Å
429G94.4Very high88Confident0 Ų056.4 Ų56.40%026%0.262CS..PPolyproline II helixtrans-71.2156171.300000112.7G412 A455 G456 G471 N473 G507G412-G429 PolarHBondContact N-O 3.32Å; G429-A455 WeakPolarHBondContact O-CB 3.19Å; G429-G456 PolarHBondContact N-O 3.14Å; G429-G471 WeakPolarHBondContact CA-O 3.37Å; G429-G471 PolarHBondContact N-O 3.04Å; G429-N473 WeakPolarHBondContact CA-OD1 3.42Å; G429-G507 WeakPolarHBondContact O-CA 3.46Å
430D94.7Very high87.2Confident30 Ų3053.7 Ų53.716%0.1626%0.257CS..PPolyproline II helixtrans-97157.7178.6-59.6-55.5000111.6L432 A455 K470 N473 K474 L503 T506 G507D430-L432 HydrophobicContact CB-CD1 4.16Å; D430-A455 WeakPolarHBondContact O-CB 3.3Å; D430-K470 IonicContact OD2-NZ 3.67Å; D430-K470 PolarHBondContact OD2-NZ 3.1Å; D430-N473 PolarHBondContact N-OD1 2.91Å; D430-N473 CarbonylContact O-C 3.57Å; D430-N473 VanDerWaalsContact O-CA 3.28Å; D430-N473 WeakPolarHBondContact O-CA 3.49Å; D430-K474 PolarHBondContact O-N 2.84Å; D430-L503 HydrophobicContact CB-CD1 3.71Å; D430-T506 WeakPolarHBondContact OD1-CA 3.03Å; D430-G507 PolarHBondContact OD1-N 3.29Å
431V94.4Very high86.4Confident0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-107.8120171.7-173.70000109.3V409 R410 F453 A455 K474 V476 V504 A505V409-V431 HydrophobicContact CB-CG1 4.42Å; V409-V431 HydrophobicContact CG1-CG1 4.3Å; R410-V431 VanDerWaalsContact O-CG2 3.24Å; R410-V431 WeakPolarHBondContact O-CG2 3.36Å; V431-F453 HydrophobicContact CG1-CB 4.22Å; V431-A455 HydrophobicContact CG2-CB 3.91Å; V431-K474 WeakPolarHBondContact CA-O 3.42Å; V431-K474 HydrophobicContact CG2-CB 4.31Å; V431-V476 HydrophobicContact CG1-CG2 4.29Å; V431-V504 HydrophobicContact CB-CG2 4.05Å; V431-V504 HydrophobicContact CG1-CG2 3.74Å; V431-V504 VanDerWaalsContact O-CG2 3.27Å; V431-V504 WeakPolarHBondContact O-CG2 3.44Å; V431-V504 PolarHBondContact O-N 2.92Å; V431-A505 HydrophobicContact CB-CB 4.08Å; V431-A505 HydrophobicContact CG2-CB 4.15Å; V431-A505 PolarHBondContact N-O 3.3Å; V431-A505 PolarHBondContact O-N 3.38Å
432L94.2Very high85.5Confident30 Ų3043.4 Ų43.416%0.15722%0.221CC..EExtended strand (participates in β ladder)trans-117.2142.3178.4-59.196.6000110.5D430 N473 K474 V475 V476 L502 L503D430-L432 HydrophobicContact CB-CD1 4.16Å; L432-N473 HydrophobicContact CD1-CB 4.14Å; L432-K474 PolarHBondContact N-O 2.53Å; L432-V475 CarbonylContact O-C 3.59Å; L432-V475 WeakPolarHBondContact O-CA 3.08Å; L432-V476 PolarHBondContact O-N 2.91Å; L432-L502 CarbonylContact C-O 3.32Å; L432-L502 WeakPolarHBondContact CA-O 3.28Å; L432-L503 HydrophobicContact CG-CD1 4.27Å
433L93.5Very high85.1Confident0 Ų044.2 Ų44.20%022%0.215CC..EExtended strand (participates in β ladder)trans-95.5137.4165.1-56.1-175.6000109V476 V478 V484 L495 Q501 L502 V504 I527 L529L433-V476 WeakPolarHBondContact CA-O 3.21Å; L433-V476 HydrophobicContact CD2-CB 3.76Å; L433-V476 HydrophobicContact CD2-CG1 4.15Å; L433-V476 HydrophobicContact CD2-CG2 4.42Å; L433-V478 HydrophobicContact CB-CG1 4.39Å; L433-V478 HydrophobicContact CB-CG2 4.31Å; L433-V478 HydrophobicContact CD2-CG1 3.99Å; L433-V484 HydrophobicContact CD1-CG1 4.21Å; L433-V484 HydrophobicContact CD1-CG2 3.77Å; L433-L495 HydrophobicContact CB-CD1 3.97Å; L433-Q501 CarbonylContact O-C 3.52Å; L433-Q501 VanDerWaalsContact O-CA 3.29Å; L433-Q501 WeakPolarHBondContact O-CA 3.23Å; L433-L502 HydrophobicContact CB-CB 4.48Å; L433-L502 HydrophobicContact CD1-CD2 4.49Å; L433-L502 PolarHBondContact N-O 3.28Å; L433-L502 PolarHBondContact O-N 2.96Å; L433-V504 HydrophobicContact CD1-CG1 3.7Å; L433-V504 HydrophobicContact CD2-CG2 4.25Å; L433-V504 HydrophobicContact CG-CG1 3.7Å; L433-V504 HydrophobicContact CG-CG2 4.05Å; L433-I527 HydrophobicContact CD1-CD1 4.12Å; L433-L529 HydrophobicContact CD1-CD2 3.72Å
434E93.4Very high85Confident45 Ų4544.6 Ų44.621%0.2122%0.217CC..EExtended strand (participates in β ladder)trans-126.5121.9175.8-177.8-169.5128.900109.2V475 V476 K477 V478 D500 Q501E434-V475 HydrophobicContact CB-CG1 3.8Å; E434-V475 WeakPolarHBondContact OE2-CG1 3.42Å; E434-V476 PolarHBondContact N-O 3.02Å; E434-K477 CarbonylContact O-C 3.53Å; E434-K477 VanDerWaalsContact O-CA 3.31Å; E434-K477 WeakPolarHBondContact O-CA 3.26Å; E434-V478 PolarHBondContact O-N 3.13Å; E434-D500 WeakPolarHBondContact CA-O 3.48Å; E434-Q501 HydrophobicContact CB-CG 4.41Å; E434-Q501 HydrophobicContact CG-CG 4.29Å
435A87.1Confident84.4Confident1 Ų141 Ų411%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-70.9133.7176.700000111.9V478 V480 L495 H497 G499 D500A435-V478 CarbonylContact C-O 3.57Å; A435-V478 VanDerWaalsContact CA-O 3.29Å; A435-V478 WeakPolarHBondContact CA-O 3.33Å; A435-V480 HydrophobicContact CB-CG2 4.38Å; A435-L495 HydrophobicContact CB-CB 4.03Å; A435-H497 WeakPolarHBondContact CB-O 2.95Å; A435-G499 PolarHBondContact O-N 3.25Å; A435-D500 HydrophobicContact CB-CB 4.17Å; A435-D500 PolarHBondContact N-O 3.46Å
436S83.9Confident83.8Confident19 Ų1945.7 Ų45.713%0.13323%0.228CC..  trans-146131.2-178.1-1720000111.4K438 V478S436-K438 PolarHBondContact O-N 2.75Å; S436-V478 PolarHBondContact N-O 2.94Å
437E71.6Confident83.3Confident148 Ų14851.1 Ų51.169%0.69225%0.253SS*.THydrogen-bonded Turntrans-65.6-21.3177.4-69.1168.9-173.300113V439 V480 A498E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 3.09Å; E437-V480 HydrophobicContact CG-CG2 3.81Å; E437-A498 HydrophobicContact CG-CB 4.08Å
438K74.6Confident82.9Confident179 Ų17949.7 Ų49.778%0.77825%0.245SC*.THydrogen-bonded Turntrans-88.15.3-173.4-61.4-175.9179.7-179.50113.9S436S436-K438 PolarHBondContact O-N 2.75Å
439V74.9Confident82.2Confident23 Ų2354.3 Ų54.314%0.13928%0.275CS..  trans-125.1139-172.4-174.70000110.4E437 K477 P479E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 3.09Å; V439-K477 HydrophobicContact CG2-CB 3.94Å; V439-P479 WeakPolarHBondContact O-CB 3.35Å; V439-P479 VanDerWaalsContact O-CG 3.25Å; V439-P479 WeakPolarHBondContact O-CG 3.08Å
440T70.9Confident81.6Confident76 Ų7658.1 Ų58.147%0.46630%0.302SS..  trans-110.1152.5171.363.20000110.5E442 R443 L444T440-E442 PolarHBondContact O-N 3.33Å; T440-R443 PolarHBondContact O-N 2.86Å; T440-R443 VanDerWaalsContact OG1-CB 3.28Å; T440-R443 WeakPolarHBondContact OG1-CB 3.44Å; T440-R443 PolarHBondContact OG1-N 2.96Å; T440-L444 PolarHBondContact O-N 3.06Å
441L71.4Confident81.2Confident2 Ų259.3 Ų59.31%0.0130%0.304CS..Hα-helixtrans-61.4-32.5176.6-88.2-171.2000111.9R402 L405 L444 A445 P479 I482 L529 L531R402-L441 WeakPolarHBondContact O-CB 3.46Å; R402-L441 WeakPolarHBondContact O-CD1 3.21Å; L405-L441 HydrophobicContact CB-CD1 4.42Å; L405-L441 HydrophobicContact CB-CD2 4.14Å; L405-L441 HydrophobicContact CD2-CD2 4.16Å; L441-L444 HydrophobicContact CD2-CD2 4.11Å; L441-L444 PolarHBondContact O-N 3.48Å; L441-A445 WeakPolarHBondContact O-CB 3.36Å; L441-A445 PolarHBondContact O-N 3.09Å; L441-P479 HydrophobicContact CB-CG 4.43Å; L441-P479 HydrophobicContact CD2-CG 4.33Å; L441-P479 HydrophobicContact CG-CG 4.01Å; L441-P479 VanDerWaalsContact N-CG 3.3Å; L441-I482 HydrophobicContact CD1-CD1 4.44Å; L441-I482 HydrophobicContact CD2-CD1 3.61Å; L441-I482 HydrophobicContact CG-CD1 3.97Å; L441-L529 HydrophobicContact CD2-CB 4.23Å; L441-L529 HydrophobicContact CD2-CD1 4.33Å; L441-L531 HydrophobicContact CD1-CB 3.44Å; L441-L531 VanDerWaalsContact CD1-CB 3.44Å; L441-L531 HydrophobicContact CG-CB 4.1Å
442E65.5Low81Confident78 Ų7865.9 Ų65.936%0.36433%0.329SS..Hα-helixtrans-62.2-49.4173.1-175.4178.6-170.800111.6T440 L444 A445 T446T440-E442 PolarHBondContact O-N 3.33Å; E442-L444 VanDerWaalsContact C-N 3.31Å; E442-L444 PolarHBondContact O-N 3.32Å; E442-A445 PolarHBondContact O-N 2.95Å; E442-T446 WeakPolarHBondContact O-CB 3.47Å; E442-T446 PolarHBondContact O-N 3.38Å; E442-T446 PolarHBondContact O-OG1 3.39Å
443R77.9Confident80.9Confident135 Ų13564.7 Ų64.751%0.50932%0.322SS..Hα-helixtrans-61.3-41177.7-172.8177.5-177.4175.35.9111.3T440 A445 T446 Q447T440-R443 PolarHBondContact O-N 2.86Å; T440-R443 VanDerWaalsContact OG1-CB 3.28Å; T440-R443 WeakPolarHBondContact OG1-CB 3.44Å; T440-R443 PolarHBondContact OG1-N 2.96Å; R443-A445 VanDerWaalsContact C-N 3.35Å; R443-A445 PolarHBondContact O-N 2.92Å; R443-T446 PolarHBondContact O-N 3.19Å; R443-Q447 HydrophobicContact CG-CG 4.36Å; R443-Q447 WeakPolarHBondContact O-CB 3.24Å; R443-Q447 VanDerWaalsContact O-CG 3.3Å; R443-Q447 WeakPolarHBondContact O-CG 3.24Å; R443-Q447 PolarHBondContact O-N 3.19Å
444L82.8Confident81Confident7 Ų767.9 Ų67.94%0.03734%0.342CS..Hα-helixtrans-59.6-44.4176.1-177.664.6000111.8L405 T440 L441 E442 N448 F453 V476 V478 L529L405-L444 HydrophobicContact CD2-CD2 3.92Å; L405-L444 HydrophobicContact CD2-CG 4.2Å; T440-L444 PolarHBondContact O-N 3.06Å; L441-L444 HydrophobicContact CD2-CD2 4.11Å; L441-L444 PolarHBondContact O-N 3.48Å; E442-L444 VanDerWaalsContact C-N 3.31Å; E442-L444 PolarHBondContact O-N 3.32Å; L444-N448 WeakPolarHBondContact O-CB 3.35Å; L444-N448 PolarHBondContact O-N 3.49Å; L444-N448 VanDerWaalsContact O-N 3.16Å; L444-N448 PolarHBondContact O-ND2 2.9Å; L444-F453 HydrophobicContact CD1-CE1 4.33Å; L444-F453 HydrophobicContact CD1-CZ 3.9Å; L444-F453 HydrophobicContact CG-CZ 4.24Å; L444-V476 HydrophobicContact CD1-CG1 3.8Å; L444-V476 HydrophobicContact CD2-CG1 4.47Å; L444-V478 HydrophobicContact CD2-CG1 4.04Å; L444-L529 HydrophobicContact CD2-CD1 4.09Å
445A78.9Confident81Confident10 Ų1066.2 Ų66.28%0.08334%0.336CS..Hα-helixtrans-70.2-37.1179.300000113.2R402 L405 L441 E442 R443 N448R402-A445 VanDerWaalsContact NH1-CB 3.33Å; L405-A445 HydrophobicContact CD1-CB 3.79Å; L405-A445 HydrophobicContact CD2-CB 4.24Å; L441-A445 WeakPolarHBondContact O-CB 3.36Å; L441-A445 PolarHBondContact O-N 3.09Å; E442-A445 PolarHBondContact O-N 2.95Å; R443-A445 VanDerWaalsContact C-N 3.35Å; R443-A445 PolarHBondContact O-N 2.92Å; A445-N448 CarbonylContact O-C 3.53Å; A445-N448 PolarHBondContact O-N 3.17Å
446T78Confident81.4Confident101 Ų10167.5 Ų67.562%0.6235%0.349SS*.Hα-helixtrans-70.8-40.2178.4-600000111.6E442 R443 N448E442-T446 WeakPolarHBondContact O-CB 3.47Å; E442-T446 PolarHBondContact O-N 3.38Å; E442-T446 PolarHBondContact O-OG1 3.39Å; R443-T446 PolarHBondContact O-N 3.19Å; T446-N448 VanDerWaalsContact C-N 3.29Å; T446-N448 PolarHBondContact O-N 3.37Å
447Q82.5Confident81.9Confident118 Ų11875.6 Ų75.655%0.55138%0.376SS*.Hα-helixtrans-72.3-22.1176.6-71.7179.5-14.800113.3R443 P449R443-Q447 HydrophobicContact CG-CG 4.36Å; R443-Q447 WeakPolarHBondContact O-CB 3.24Å; R443-Q447 VanDerWaalsContact O-CG 3.3Å; R443-Q447 WeakPolarHBondContact O-CG 3.24Å; R443-Q447 PolarHBondContact O-N 3.19Å; Q447-P449 WeakPolarHBondContact O-CD 3.5Å
448N83.9Confident83Confident40 Ų4068.6 Ų68.621%0.21434%0.344CS..  trans-125.973.1-180-58.3-84.9000111.1L444 A445 T446 S450 R451 F453L444-N448 WeakPolarHBondContact O-CB 3.35Å; L444-N448 PolarHBondContact O-N 3.49Å; L444-N448 VanDerWaalsContact O-N 3.16Å; L444-N448 PolarHBondContact O-ND2 2.9Å; A445-N448 CarbonylContact O-C 3.53Å; A445-N448 PolarHBondContact O-N 3.17Å; T446-N448 VanDerWaalsContact C-N 3.29Å; T446-N448 PolarHBondContact O-N 3.37Å; N448-S450 PolarHBondContact O-N 3.41Å; N448-S450 VanDerWaalsContact O-N 3.16Å; N448-R451 PolarHBondContact O-N 3.47Å; N448-F453 HydrophobicContact CB-CE1 3.97Å; N448-F453 HydrophobicContact CB-CZ 4.15Å
449P77.9Confident83.9Confident98 Ų9863.6 Ų63.664%0.63632%0.323SS*.THydrogen-bonded Turntrans-59.1-32.2-174.9-22.832.2000113.7Q447 R451Q447-P449 WeakPolarHBondContact O-CD 3.5Å; P449-R451 PolarHBondContact O-N 3.25Å
450S81.6Confident84.7Confident81 Ų8165.8 Ų65.857%0.56633%0.334SS*.THydrogen-bonded Turntrans-71.4-17177.763.30000113.3N448 R452N448-S450 PolarHBondContact O-N 3.41Å; N448-S450 VanDerWaalsContact O-N 3.16Å; S450-R452 WeakPolarHBondContact O-CG 3.44Å; S450-R452 PolarHBondContact O-N 3.21Å; S450-R452 VanDerWaalsContact O-N 3.16Å
451R85.7Confident85.6Confident55 Ų5562.5 Ų62.521%0.20832%0.315CS..  trans52.328.6-173.3-50.3-173.3-163.3169.415.2113.7E393 V407 Y408 N448 P449E393-R451 IonicContact OE1-CZ 3.67Å; E393-R451 IonicContact OE1-NH1 2.84Å; E393-R451 PolarHBondContact OE1-NH1 2.67Å; E393-R451 IonicContact OE1-NH2 2.76Å; E393-R451 PolarHBondContact OE1-NH2 3.33Å; V407-R451 HydrophobicContact CG1-CB 4.48Å; Y408-R451 PolarHBondContact N-O 2.93Å; N448-R451 PolarHBondContact O-N 3.47Å; P449-R451 PolarHBondContact O-N 3.25Å
452R91Very high86.5Confident137 Ų13767.5 Ų67.552%0.51734%0.336SS..EExtended strand (participates in β ladder)trans-116.5118.3-177.6-70.2173.979133.410.2110.2Y408 S450Y408-R452 HydrophobicContact CD1-CB 4.24Å; Y408-R452 HydrophobicContact CD1-CG 3.87Å; Y408-R452 HydrophobicContact CG-CG 4.3Å; Y408-R452 CarbonylContact O-C 3.55Å; Y408-R452 WeakPolarHBondContact O-CA 3.45Å; S450-R452 WeakPolarHBondContact O-CG 3.44Å; S450-R452 PolarHBondContact O-N 3.21Å; S450-R452 VanDerWaalsContact O-N 3.16Å
453F92.5Very high87.4Confident5 Ų569.6 Ų69.62%0.02234%0.344CS..EExtended strand (participates in β ladder)trans-108.1110.9173.9-56.5-68.7000109.2V407 Y408 V409 R410 V431 L444 N448 V476V407-F453 HydrophobicContact CB-CD2 4.1Å; V407-F453 HydrophobicContact CB-CE2 3.83Å; V407-F453 HydrophobicContact CG1-CE2 3.87Å; V407-F453 HydrophobicContact CG2-CD2 4.2Å; V407-F453 HydrophobicContact CG2-CE2 4.09Å; Y408-F453 PolarHBondContact O-N 3.18Å; V409-F453 WeakPolarHBondContact CA-O 3.34Å; V409-F453 HydrophobicContact CG1-CB 4.39Å; V409-F453 HydrophobicContact CG1-CD2 4.34Å; R410-F453 PolarHBondContact N-O 3.01Å; V431-F453 HydrophobicContact CG1-CB 4.22Å; L444-F453 HydrophobicContact CD1-CE1 4.33Å; L444-F453 HydrophobicContact CD1-CZ 3.9Å; L444-F453 HydrophobicContact CG-CZ 4.24Å; N448-F453 HydrophobicContact CB-CE1 3.97Å; N448-F453 HydrophobicContact CB-CZ 4.15Å; F453-V476 HydrophobicContact CB-CG2 3.88Å; F453-V476 HydrophobicContact CD1-CB 4.47Å; F453-V476 HydrophobicContact CD1-CG1 4.06Å; F453-V476 HydrophobicContact CD1-CG2 3.51Å; F453-V476 HydrophobicContact CD2-CG1 4.34Å; F453-V476 HydrophobicContact CD2-CG2 4.18Å; F453-V476 HydrophobicContact CE1-CG1 3.7Å; F453-V476 HydrophobicContact CE1-CG2 4.03Å; F453-V476 HydrophobicContact CE2-CG1 4Å; F453-V476 HydrophobicContact CG-CG1 4.37Å; F453-V476 HydrophobicContact CG-CG2 3.59Å; F453-V476 HydrophobicContact CZ-CG1 3.67Å
454V93.9Very high87.8Confident68 Ų6872.3 Ų72.341%0.41236%0.36SS..EExtended strand (participates in β ladder)trans-123.2129.8-176.5-171.60000109R410R410-V454 HydrophobicContact CB-CG1 4.41Å; R410-V454 HydrophobicContact CB-CG2 4.33Å; R410-V454 HydrophobicContact CG-CG1 4.47Å; R410-V454 VanDerWaalsContact O-CA 3.31Å; R410-V454 WeakPolarHBondContact O-CA 3.45Å
455A95.2Very high87.8Confident10 Ų1075.2 Ų75.28%0.08337%0.373CS..PPolyproline II helixtrans-83.4162.5175.700000112.7R410 G429 D430 V431 K474R410-A455 PolarHBondContact O-N 3.16Å; G429-A455 WeakPolarHBondContact O-CB 3.19Å; D430-A455 WeakPolarHBondContact O-CB 3.3Å; V431-A455 HydrophobicContact CG2-CB 3.91Å; A455-K474 HydrophobicContact CB-CB 4.07Å
456G94.1Very high88.1Confident28 Ų2878.5 Ų78.529%0.28939%0.389SS..PPolyproline II helixtrans-66.7144.5-176.700000112.6G412 G429 G471 E472G412-G456 VanDerWaalsContact CA-O 3.23Å; G412-G456 WeakPolarHBondContact CA-O 3.18Å; G429-G456 PolarHBondContact N-O 3.14Å; G456-G471 WeakPolarHBondContact O-CA 3.4Å; G456-E472 PolarHBondContact N-O 3.24Å
457R95.7Very high88.6Confident188 Ų18879.3 Ų79.371%0.70939%0.388SS*.PPolyproline II helixtrans-70.4147.2172.970.7176.1-176.7173.31.4110.8K413 G471K413-R457 CarbonylContact O-C 3.52Å; K413-R457 WeakPolarHBondContact O-CA 2.92Å; R457-G471 VanDerWaalsContact O-CA 3.26Å; R457-G471 WeakPolarHBondContact O-CA 3.33Å
458G93.3Very high88.8Confident1 Ų174 Ų741%0.0137%0.366CS..PPolyproline II helixtrans-67.3148.516700000111.1K413 G415 G426 D427K413-G458 PolarHBondContact O-N 3.43Å; G415-G458 WeakPolarHBondContact CA-O 3.27Å; G426-G458 WeakPolarHBondContact O-CA 3.42Å; D427-G458 WeakPolarHBondContact O-CA 3.36Å
459Q93.7Very high89.2Confident74 Ų7475.9 Ų75.935%0.34638%0.375SS..PPolyproline II helixtrans-75.9142.7178.5-67.1-162.832.100111.6G426 G468 D469G426-Q459 PolarHBondContact N-O 3.34Å; Q459-G468 WeakPolarHBondContact O-CA 3.31Å; Q459-D469 HydrophobicContact CG-CB 4.29Å; Q459-D469 PolarHBondContact N-O 2.76Å; Q459-D469 PolarHBondContact NE2-OD2 2.82Å
460D93.1Very high90Very high69 Ų6976.2 Ų76.237%0.36937%0.367SS..PPolyproline II helixtrans-70.1144.4170.9-55.1-32.8000109.7G415 Q416G415-D460 WeakPolarHBondContact CA-OD1 3.47Å; Q416-D460 HydrophobicContact CB-CB 4.36Å; Q416-D460 PolarHBondContact N-OD1 3.47Å; Q416-D460 CarbonylContact O-C 3.49Å; Q416-D460 VanDerWaalsContact O-CA 3.25Å; Q416-D460 WeakPolarHBondContact O-CA 2.97Å
461S88.8Confident90.4Very high7 Ų772.8 Ų72.85%0.04934%0.344CS..PPolyproline II helixtrans-61.6144.3169.9-45.70000110.2Q416 L418 G423 I424 G425 L466Q416-S461 PolarHBondContact O-N 2.84Å; L418-S461 WeakPolarHBondContact CD1-O 3.01Å; L418-S461 WeakPolarHBondContact CG-O 3.44Å; G423-S461 PolarHBondContact O-OG 3.11Å; I424-S461 PolarHBondContact N-OG 3.23Å; I424-S461 VanDerWaalsContact N-OG 3.08Å; I424-S461 PolarHBondContact O-OG 3.41Å; G425-S461 PolarHBondContact N-OG 3.18Å; G425-S461 VanDerWaalsContact N-OG 3.16Å; S461-L466 PolarHBondContact OG-O 2.95Å
462K89.5Confident90.9Very high108 Ų10878 Ų7847%0.4737%0.371SS..BIsolated β-bridgetrans-119.7161.1175.4-61.7171.1-168.1153.20109.6F464 Q465K462-F464 PolarHBondContact O-N 3.45Å; K462-F464 VanDerWaalsContact O-N 3.1Å; K462-Q465 HydrophobicContact CB-CB 4.28Å; K462-Q465 PolarHBondContact N-O 2.75Å; K462-Q465 CarbonylContact O-C 3.54Å; K462-Q465 PolarHBondContact O-N 2.9Å; K462-Q465 VanDerWaalsContact O-O 3.07Å
463K84.9Confident91.1Very high122 Ų12275.2 Ų75.253%0.5337%0.366SS..THydrogen-bonded Turntrans-52.5-34.5176.5-177.5178.4176.8-173.90113.2Y421Y421-K463 HydrophobicContact CE1-CG 4.29Å; Y421-K463 HydrophobicContact CE2-CB 4.22Å; Y421-K463 HydrophobicContact CE2-CD 4.45Å; Y421-K463 HydrophobicContact CE2-CG 3.97Å
464F86.3Confident91.2Very high191 Ų19179 Ų7984%0.83838%0.383SS*.THydrogen-bonded Turntrans-104.8-1.5-179.2-58.5-70.4000113.9K462K462-F464 PolarHBondContact O-N 3.45Å; K462-F464 VanDerWaalsContact O-N 3.1Å
465Q83Confident91.2Very high68 Ų6878.9 Ų78.932%0.31838%0.382SS..BIsolated β-bridgetrans-141.984.7179.1-172.7-179.11.600107.4K462 I467 D469K462-Q465 HydrophobicContact CB-CB 4.28Å; K462-Q465 PolarHBondContact N-O 2.75Å; K462-Q465 CarbonylContact O-C 3.54Å; K462-Q465 PolarHBondContact O-N 2.9Å; K462-Q465 VanDerWaalsContact O-O 3.07Å; Q465-I467 WeakPolarHBondContact CG-O 3.24Å; Q465-I467 PolarHBondContact O-N 2.75Å; Q465-D469 PolarHBondContact NE2-OD2 3.22Å; Q465-D469 VanDerWaalsContact NE2-OD2 3.14Å
466L85.2Confident91.1Very high80 Ų8078.7 Ų78.742%0.41938%0.38SS..  trans-69.9-21.6-171-63.4178.3000112.9Y421 G423 I424 S461Y421-L466 HydrophobicContact CG-CD2 4.4Å; G423-L466 CarbonylContact C-O 3.57Å; G423-L466 VanDerWaalsContact C-O 3.32Å; G423-L466 WeakPolarHBondContact CA-O 3.44Å; I424-L466 PolarHBondContact N-O 2.75Å; S461-L466 PolarHBondContact OG-O 2.95Å
467I87.9Confident90.9Very high117 Ų11782.4 Ų82.460%0.639%0.388SS*.BIsolated β-bridgetrans-108.9116.7176.7-57174.2000107.9I424 Q465I424-I467 CarbonylContact O-C 3.47Å; I424-I467 WeakPolarHBondContact O-CA 3.45Å; Q465-I467 WeakPolarHBondContact CG-O 3.24Å; Q465-I467 PolarHBondContact O-N 2.75Å
468G87.3Confident90.7Very high7 Ų773.5 Ų73.57%0.07235%0.354CS..PPolyproline II helixtrans-75.3140.4174.400000111.3I424 G426 Q459I424-G468 PolarHBondContact O-N 2.94Å; G426-G468 WeakPolarHBondContact CA-O 3.45Å; G426-G468 PolarHBondContact N-O 2.62Å; Q459-G468 WeakPolarHBondContact O-CA 3.31Å
469D93.3Very high90.1Very high79 Ų7973.8 Ų73.842%0.42236%0.356SS..PPolyproline II helixtrans-70.6144.9177.4-55.1-46000111.4Q459 Q465Q459-D469 HydrophobicContact CG-CB 4.29Å; Q459-D469 PolarHBondContact N-O 2.76Å; Q459-D469 PolarHBondContact NE2-OD2 2.82Å; Q465-D469 PolarHBondContact NE2-OD2 3.22Å; Q465-D469 VanDerWaalsContact NE2-OD2 3.14Å
470K93.2Very high89.3Confident106 Ų10672.1 Ų72.146%0.46135%0.351SS..PPolyproline II helixtrans-62.6139.3173.7-178.5173.8176.1171.60110D427 G428 D430D427-K470 HydrophobicContact CB-CD 4.45Å; D427-K470 HydrophobicContact CB-CG 4.17Å; D427-K470 CarbonylContact O-C 3.53Å; D427-K470 VanDerWaalsContact O-CA 3.3Å; D427-K470 WeakPolarHBondContact O-CA 3.4Å; G428-K470 WeakPolarHBondContact O-CE 3.47Å; D430-K470 IonicContact OD2-NZ 3.67Å; D430-K470 PolarHBondContact OD2-NZ 3.1Å
471G91.2Very high88.3Confident8 Ų868.9 Ų68.98%0.08233%0.334CS..PPolyproline II helixtrans-64.6147.2174.100000112.2D427 G429 G456 R457 N473D427-G471 PolarHBondContact O-N 2.83Å; G429-G471 WeakPolarHBondContact CA-O 3.37Å; G429-G471 PolarHBondContact N-O 3.04Å; G456-G471 WeakPolarHBondContact O-CA 3.4Å; R457-G471 VanDerWaalsContact O-CA 3.26Å; R457-G471 WeakPolarHBondContact O-CA 3.33Å; G471-N473 PolarHBondContact O-N 3.06Å
472E95.1Very high87.9Confident164 Ų16468.6 Ų68.677%0.76633%0.332SS*.PPolyproline II helixtrans-62.5130.7-179-65.4-179.1170.500112.1G456G456-E472 PolarHBondContact N-O 3.24Å
473N95Very high87.5Confident79 Ų7963.4 Ų63.442%0.42231%0.309SS..PPolyproline II helixtrans-67.9141.6173.6-69.4-10.6000110.4G429 D430 L432 G471G429-N473 WeakPolarHBondContact CA-OD1 3.42Å; D430-N473 PolarHBondContact N-OD1 2.91Å; D430-N473 CarbonylContact O-C 3.57Å; D430-N473 VanDerWaalsContact O-CA 3.28Å; D430-N473 WeakPolarHBondContact O-CA 3.49Å; L432-N473 HydrophobicContact CD1-CB 4.14Å; G471-N473 PolarHBondContact O-N 3.06Å
474K94.9Very high87.6Confident86 Ų8657.6 Ų57.637%0.37428%0.284SS..EExtended strand (participates in β ladder)trans-100.4105.9174.4-172.768.3177.9179.90109.9D430 V431 L432 A455 V476D430-K474 PolarHBondContact O-N 2.84Å; V431-K474 WeakPolarHBondContact CA-O 3.42Å; V431-K474 HydrophobicContact CG2-CB 4.31Å; L432-K474 PolarHBondContact N-O 2.53Å; A455-K474 HydrophobicContact CB-CB 4.07Å; K474-V476 HydrophobicContact CG-CG2 4.16Å
475V93.7Very high87.5Confident65 Ų6551 Ų5139%0.39426%0.255SS..EExtended strand (participates in β ladder)trans-90.8123.1170.8-175.90000109.5L432 E434L432-V475 CarbonylContact O-C 3.59Å; L432-V475 WeakPolarHBondContact O-CA 3.08Å; E434-V475 HydrophobicContact CB-CG1 3.8Å; E434-V475 WeakPolarHBondContact OE2-CG1 3.42Å
476V92.8Very high87.6Confident5 Ų549.5 Ų49.53%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-110112.1179.2-176.30000108.1V431 L432 L433 E434 L444 F453 K474 V478V431-V476 HydrophobicContact CG1-CG2 4.29Å; L432-V476 PolarHBondContact O-N 2.91Å; L433-V476 WeakPolarHBondContact CA-O 3.21Å; L433-V476 HydrophobicContact CD2-CB 3.76Å; L433-V476 HydrophobicContact CD2-CG1 4.15Å; L433-V476 HydrophobicContact CD2-CG2 4.42Å; E434-V476 PolarHBondContact N-O 3.02Å; L444-V476 HydrophobicContact CD1-CG1 3.8Å; L444-V476 HydrophobicContact CD2-CG1 4.47Å; F453-V476 HydrophobicContact CB-CG2 3.88Å; F453-V476 HydrophobicContact CD1-CB 4.47Å; F453-V476 HydrophobicContact CD1-CG1 4.06Å; F453-V476 HydrophobicContact CD1-CG2 3.51Å; F453-V476 HydrophobicContact CD2-CG1 4.34Å; F453-V476 HydrophobicContact CD2-CG2 4.18Å; F453-V476 HydrophobicContact CE1-CG1 3.7Å; F453-V476 HydrophobicContact CE1-CG2 4.03Å; F453-V476 HydrophobicContact CE2-CG1 4Å; F453-V476 HydrophobicContact CG-CG1 4.37Å; F453-V476 HydrophobicContact CG-CG2 3.59Å; F453-V476 HydrophobicContact CZ-CG1 3.67Å; K474-V476 HydrophobicContact CG-CG2 4.16Å; V476-V478 HydrophobicContact CG1-CG1 4.22Å; V476-V478 PolarHBondContact O-N 3.11Å
477K92Very high87.5Confident107 Ų10747.9 Ų47.947%0.46524%0.242SC..EExtended strand (participates in β ladder)trans-74.5126.6176.6-64.6-170.7174.3-170.90110E434 V439E434-K477 CarbonylContact O-C 3.53Å; E434-K477 VanDerWaalsContact O-CA 3.31Å; E434-K477 WeakPolarHBondContact O-CA 3.26Å; V439-K477 HydrophobicContact CG2-CB 3.94Å
478V89.5Confident86.9Confident0 Ų051.1 Ų51.10%026%0.255CS..EExtended strand (participates in β ladder)trans-124149.3-179.6-58.20000109.2L433 E434 A435 S436 L444 V476 I482 L495 L529L433-V478 HydrophobicContact CB-CG1 4.39Å; L433-V478 HydrophobicContact CB-CG2 4.31Å; L433-V478 HydrophobicContact CD2-CG1 3.99Å; E434-V478 PolarHBondContact O-N 3.13Å; A435-V478 CarbonylContact C-O 3.57Å; A435-V478 VanDerWaalsContact CA-O 3.29Å; A435-V478 WeakPolarHBondContact CA-O 3.33Å; S436-V478 PolarHBondContact N-O 2.94Å; L444-V478 HydrophobicContact CD2-CG1 4.04Å; V476-V478 HydrophobicContact CG1-CG1 4.22Å; V476-V478 PolarHBondContact O-N 3.11Å; V478-I482 HydrophobicContact CB-CD1 3.62Å; V478-I482 HydrophobicContact CG2-CD1 4.12Å; V478-L495 HydrophobicContact CG2-CD1 3.64Å; V478-L529 HydrophobicContact CG1-CD1 4.15Å
479P81Confident85.8Confident7 Ų752.6 Ų52.65%0.04527%0.27CS..  trans-54.3151.9174.2-20.620.1000113.6V439 L441 I482 L531V439-P479 WeakPolarHBondContact O-CB 3.35Å; V439-P479 VanDerWaalsContact O-CG 3.25Å; V439-P479 WeakPolarHBondContact O-CG 3.08Å; L441-P479 HydrophobicContact CB-CG 4.43Å; L441-P479 HydrophobicContact CD2-CG 4.33Å; L441-P479 HydrophobicContact CG-CG 4.01Å; L441-P479 VanDerWaalsContact N-CG 3.3Å; P479-I482 HydrophobicContact CB-CD1 3.92Å; P479-I482 HydrophobicContact CB-CG1 4.41Å; P479-I482 HydrophobicContact CG-CD1 3.74Å; P479-I482 WeakPolarHBondContact O-CD1 3.49Å; P479-I482 WeakPolarHBondContact O-CG1 3.47Å; P479-L531 HydrophobicContact CB-CD1 3.87Å
480V78.5Confident85Confident40 Ų4056.1 Ų56.124%0.24228%0.282CS..THydrogen-bonded Turntrans-64.5141.5167.4-177.70000109.7A435 E437 Y496 A498 L531A435-V480 HydrophobicContact CB-CG2 4.38Å; E437-V480 HydrophobicContact CG-CG2 3.81Å; V480-Y496 VanDerWaalsContact CG1-C 3.47Å; V480-Y496 WeakPolarHBondContact CG1-O 3.34Å; V480-A498 HydrophobicContact CG2-CB 4.41Å; V480-L531 WeakPolarHBondContact O-CD1 3.24Å
481G71.5Confident84.3Confident1 Ų155.6 Ų55.61%0.0128%0.283CS..THydrogen-bonded Turntrans90.218.4-179.200000114.8L495 K532 I534G481-L495 WeakPolarHBondContact CA-O 3.32Å; G481-L495 PolarHBondContact N-O 3.43Å; G481-K532 PolarHBondContact O-N 3.05Å; G481-I534 VanDerWaalsContact CA-CD1 3.46Å
482I81Confident84Confident0 Ų058.7 Ų58.70%030%0.297CS..EExtended strand (participates in β ladder)trans-85.8127.6177.6-78.4172.7000111.5L441 V478 P479 V484 D494 L495 L529 L531L441-I482 HydrophobicContact CD1-CD1 4.44Å; L441-I482 HydrophobicContact CD2-CD1 3.61Å; L441-I482 HydrophobicContact CG-CD1 3.97Å; V478-I482 HydrophobicContact CB-CD1 3.62Å; V478-I482 HydrophobicContact CG2-CD1 4.12Å; P479-I482 HydrophobicContact CB-CD1 3.92Å; P479-I482 HydrophobicContact CB-CG1 4.41Å; P479-I482 HydrophobicContact CG-CD1 3.74Å; P479-I482 WeakPolarHBondContact O-CD1 3.49Å; P479-I482 WeakPolarHBondContact O-CG1 3.47Å; I482-V484 HydrophobicContact CG2-CG2 3.89Å; I482-D494 WeakPolarHBondContact O-CA 3.49Å; I482-L495 PolarHBondContact N-O 3.04Å; I482-L495 PolarHBondContact O-N 3.09Å; I482-L529 HydrophobicContact CG2-CB 4.04Å; I482-L529 HydrophobicContact CG2-CD2 4.06Å; I482-L531 HydrophobicContact CG1-CB 4.21Å; I482-L531 HydrophobicContact CG1-CD1 3.93Å
483T79.9Confident83.6Confident0 Ų057.3 Ų57.30%029%0.285CS..EExtended strand (participates in β ladder)trans-91121.6164.6-69.90000109.2K485 L491 D494 D530 K532 R645T483-K485 HydrophobicContact CG2-CD 4.38Å; T483-K485 HydrophobicContact CG2-CG 3.96Å; T483-L491 HydrophobicContact CG2-CD1 3.46Å; T483-L491 VanDerWaalsContact CG2-CD1 3.46Å; T483-D494 WeakPolarHBondContact CA-OD1 3.28Å; T483-D494 WeakPolarHBondContact CB-OD1 3.42Å; T483-D494 VanDerWaalsContact CG2-OD1 3.22Å; T483-D494 WeakPolarHBondContact CG2-OD1 3.47Å; T483-D494 PolarHBondContact OG1-OD1 3.31Å; T483-D530 PolarHBondContact N-O 2.98Å; T483-D530 PolarHBondContact O-N 3.08Å; T483-K532 WeakPolarHBondContact OG1-CD 3.03Å; T483-K532 WeakPolarHBondContact OG1-CE 3.48Å; T483-K532 PolarHBondContact OG1-NZ 3.33Å; T483-R645 PolarHBondContact OG1-NH2 3.07Å
484V87.8Confident82.8Confident0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-99.2123177.7-170.80000109.2L433 I482 I492 R493 L495 L502 V504 I527 R528 L529L433-V484 HydrophobicContact CD1-CG1 4.21Å; L433-V484 HydrophobicContact CD1-CG2 3.77Å; I482-V484 HydrophobicContact CG2-CG2 3.89Å; V484-I492 HydrophobicContact CB-CB 4.45Å; V484-I492 HydrophobicContact CG1-CB 4.34Å; V484-I492 HydrophobicContact CG1-CD1 4.16Å; V484-I492 WeakPolarHBondContact O-CB 3.17Å; V484-I492 PolarHBondContact O-N 3.12Å; V484-R493 WeakPolarHBondContact CB-O 3.28Å; V484-R493 PolarHBondContact N-O 3.37Å; V484-R493 PolarHBondContact O-N 3.36Å; V484-L495 HydrophobicContact CG2-CD1 4.28Å; V484-L502 HydrophobicContact CB-CD2 3.89Å; V484-L502 HydrophobicContact CG1-CD2 4.02Å; V484-L502 HydrophobicContact CG2-CD2 3.77Å; V484-V504 HydrophobicContact CG1-CG1 4.5Å; V484-I527 HydrophobicContact CG1-CB 4.34Å; V484-I527 HydrophobicContact CG1-CD1 4.09Å; V484-R528 WeakPolarHBondContact CA-O 3.27Å; V484-L529 HydrophobicContact CB-CD2 4.46Å; V484-L529 HydrophobicContact CG1-CD2 4.08Å; V484-L529 HydrophobicContact CG2-CD2 3.94Å
485K84.4Confident82.1Confident51 Ų5150.9 Ų50.922%0.22226%0.255CS..EExtended strand (participates in β ladder)trans-123.8156.1178.4-61.4175.4-176.6158.40111.7T483 K490 I527 R528 D530T483-K485 HydrophobicContact CG2-CD 4.38Å; T483-K485 HydrophobicContact CG2-CG 3.96Å; K485-K490 CarbonylContact C-O 3.32Å; K485-K490 WeakPolarHBondContact CA-O 3.3Å; K485-K490 WeakPolarHBondContact CB-O 3.49Å; K485-I527 CarbonylContact O-C 3.49Å; K485-I527 VanDerWaalsContact O-CA 3.29Å; K485-I527 WeakPolarHBondContact O-CA 3.33Å; K485-I527 WeakPolarHBondContact O-CB 3.24Å; K485-R528 HydrophobicContact CB-CB 4.44Å; K485-R528 PolarHBondContact N-O 3.36Å; K485-R528 PolarHBondContact O-N 2.92Å; K485-D530 WeakPolarHBondContact CD-OD2 2.97Å; K485-D530 VanDerWaalsContact CE-OD2 3.29Å; K485-D530 WeakPolarHBondContact CE-OD2 3.47Å; K485-D530 IonicContact NZ-OD2 3.94Å; K485-D530 PolarHBondContact NZ-OD2 3.03Å
486T84Confident80.9Confident38 Ų3851.3 Ų51.323%0.23325%0.25CC..EExtended strand (participates in β ladder)trans-65.3165.216368.70000110E488 G489 K490 I492T486-E488 PolarHBondContact O-N 3.26Å; T486-E488 PolarHBondContact OG1-N 3.02Å; T486-G489 PolarHBondContact O-N 3.37Å; T486-K490 HydrophobicContact CG2-CB 4.18Å; T486-K490 PolarHBondContact N-O 2.66Å; T486-K490 WeakPolarHBondContact OG1-CB 3.31Å; T486-K490 PolarHBondContact OG1-N 2.84Å; T486-K490 VanDerWaalsContact OG1-N 3.14Å; T486-I492 HydrophobicContact CG2-CD1 3.96Å; T486-I492 HydrophobicContact CG2-CG1 3.86Å
487D83.4Confident79.8Confident45 Ų4554 Ų5424%0.24126%0.262CS..THydrogen-bonded Turntrans-62.9-24.5176.3-159.629.2000113.5R406 G489 I526 R528R406-D487 IonicContact CZ-OD1 3.33Å; R406-D487 IonicContact CZ-OD2 2.64Å; R406-D487 IonicContact NE-OD1 3.13Å; R406-D487 PolarHBondContact NE-OD1 2.68Å; R406-D487 IonicContact NE-OD2 3.35Å; R406-D487 IonicContact NH2-OD1 2.72Å; R406-D487 PolarHBondContact NH2-OD1 2.64Å; R406-D487 IonicContact NH2-OD2 2.81Å; R406-D487 PolarHBondContact NH2-OD2 2.83Å; D487-G489 PolarHBondContact O-N 2.95Å; D487-I526 HydrophobicContact CB-CB 4.16Å; D487-I526 HydrophobicContact CB-CG2 4.22Å; D487-I526 PolarHBondContact N-O 3.25Å; D487-R528 PolarHBondContact O-NE 3.5Å; D487-R528 PolarHBondContact O-NH2 3.33Å; D487-R528 IonicContact OD1-CZ 3.48Å; D487-R528 IonicContact OD1-NE 3.49Å; D487-R528 PolarHBondContact OD1-NE 2.92Å; D487-R528 IonicContact OD1-NH2 2.8Å; D487-R528 PolarHBondContact OD1-NH2 3.44Å
488E74.6Confident79Confident185 Ų18551.4 Ų51.486%0.86426%0.26SS*.THydrogen-bonded Turntrans-78.2-5.1173.8-63.8165.8-17100113T486T486-E488 PolarHBondContact O-N 3.26Å; T486-E488 PolarHBondContact OG1-N 3.02Å
489G65Low78.7Confident38 Ų3853.5 Ų53.539%0.39228%0.282SS..SBendtrans91.11.3178.300000115.3T486 D487 L491T486-G489 PolarHBondContact O-N 3.37Å; D487-G489 PolarHBondContact O-N 2.95Å; G489-L491 PolarHBondContact O-N 3.38Å
490K76.8Confident78.9Confident154 Ų15455.1 Ų55.167%0.6729%0.291SS*.  trans-67.2128.5174.4-172.7177.9179.7176.10110K485 T486 I492K485-K490 CarbonylContact C-O 3.32Å; K485-K490 WeakPolarHBondContact CA-O 3.3Å; K485-K490 WeakPolarHBondContact CB-O 3.49Å; T486-K490 HydrophobicContact CG2-CB 4.18Å; T486-K490 PolarHBondContact N-O 2.66Å; T486-K490 WeakPolarHBondContact OG1-CB 3.31Å; T486-K490 PolarHBondContact OG1-N 2.84Å; T486-K490 VanDerWaalsContact OG1-N 3.14Å; K490-I492 PolarHBondContact O-N 3.1Å
491L79.1Confident79.5Confident94 Ų9458.2 Ų58.249%0.49230%0.302SS..EExtended strand (participates in β ladder)trans-63.2127.1176-178.864.9000110.4T483 G489T483-L491 HydrophobicContact CG2-CD1 3.46Å; T483-L491 VanDerWaalsContact CG2-CD1 3.46Å; G489-L491 PolarHBondContact O-N 3.38Å
492I84.1Confident80.4Confident73 Ų7358.9 Ų58.937%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-92-59.7171.3-57.9-179.2000108.6V484 T486 K490 L502 I527V484-I492 HydrophobicContact CB-CB 4.45Å; V484-I492 HydrophobicContact CG1-CB 4.34Å; V484-I492 HydrophobicContact CG1-CD1 4.16Å; V484-I492 WeakPolarHBondContact O-CB 3.17Å; V484-I492 PolarHBondContact O-N 3.12Å; T486-I492 HydrophobicContact CG2-CD1 3.96Å; T486-I492 HydrophobicContact CG2-CG1 3.86Å; K490-I492 PolarHBondContact O-N 3.1Å; I492-L502 HydrophobicContact CG2-CD1 4.33Å; I492-L502 HydrophobicContact CG2-CD2 4.19Å; I492-I527 HydrophobicContact CD1-CG2 3.94Å
493R86.1Confident81Confident135 Ų13563.2 Ų63.251%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-167.6155.7177.8-156.3179-179.5-179.32.4110.7V484 Q501 L502V484-R493 WeakPolarHBondContact CB-O 3.28Å; V484-R493 PolarHBondContact N-O 3.37Å; V484-R493 PolarHBondContact O-N 3.36Å; R493-Q501 PolarHBondContact NH1-O 3.18Å; R493-Q501 VanDerWaalsContact NH1-O 3.12Å; R493-L502 HydrophobicContact CB-CD1 3.85Å; R493-L502 HydrophobicContact CB-CD2 3.92Å; R493-L502 HydrophobicContact CB-CG 4.47Å; R493-L502 HydrophobicContact CG-CD1 4.44Å
494D78.9Confident81.5Confident30 Ų3063.9 Ų63.916%0.1633%0.332CS..EExtended strand (participates in β ladder)trans-99.4145.9167.1-64.4-47.3000111.2I482 T483 Y496 R645I482-D494 WeakPolarHBondContact O-CA 3.49Å; T483-D494 WeakPolarHBondContact CA-OD1 3.28Å; T483-D494 WeakPolarHBondContact CB-OD1 3.42Å; T483-D494 VanDerWaalsContact CG2-OD1 3.22Å; T483-D494 WeakPolarHBondContact CG2-OD1 3.47Å; T483-D494 PolarHBondContact OG1-OD1 3.31Å; D494-Y496 HydrophobicContact CB-CD1 4.46Å; D494-Y496 HydrophobicContact CB-CD2 3.92Å; D494-Y496 HydrophobicContact CB-CE1 3.85Å; D494-Y496 HydrophobicContact CB-CE2 3.25Å; D494-Y496 HydrophobicContact CB-CG 4.48Å; D494-Y496 WeakPolarHBondContact CB-OH 3.4Å; D494-Y496 PolarHBondContact OD2-OH 2.8Å; D494-R645 IonicContact OD1-NH2 2.64Å; D494-R645 IonicContact OD2-NH2 3.63Å
495L79.9Confident81.6Confident0 Ų064 Ų640%033%0.333CS..EExtended strand (participates in β ladder)trans-117.8102.8177.5-62.5174.3000109.2L433 A435 V478 G481 I482 V484 D500 L502L433-L495 HydrophobicContact CB-CD1 3.97Å; A435-L495 HydrophobicContact CB-CB 4.03Å; V478-L495 HydrophobicContact CG2-CD1 3.64Å; G481-L495 WeakPolarHBondContact CA-O 3.32Å; G481-L495 PolarHBondContact N-O 3.43Å; I482-L495 PolarHBondContact N-O 3.04Å; I482-L495 PolarHBondContact O-N 3.09Å; V484-L495 HydrophobicContact CG2-CD1 4.28Å; L495-D500 HydrophobicContact CB-CB 4.38Å; L495-D500 HydrophobicContact CD2-CB 3.72Å; L495-L502 HydrophobicContact CD2-CB 3.96Å
496Y69.3Low82Confident74 Ų7464.3 Ų64.329%0.2934%0.34SS..  trans-106.8-19.7-165.4-70.1-56.3000114.5V480 D494 D500 I534 R645V480-Y496 VanDerWaalsContact CG1-C 3.47Å; V480-Y496 WeakPolarHBondContact CG1-O 3.34Å; D494-Y496 HydrophobicContact CB-CD1 4.46Å; D494-Y496 HydrophobicContact CB-CD2 3.92Å; D494-Y496 HydrophobicContact CB-CE1 3.85Å; D494-Y496 HydrophobicContact CB-CE2 3.25Å; D494-Y496 HydrophobicContact CB-CG 4.48Å; D494-Y496 WeakPolarHBondContact CB-OH 3.4Å; D494-Y496 PolarHBondContact OD2-OH 2.8Å; Y496-D500 PolarHBondContact N-OD2 3.24Å; Y496-I534 HydrophobicContact CD1-CD1 3.89Å; Y496-I534 HydrophobicContact CE1-CD1 4.47Å; Y496-R645 VanDerWaalsContact CE1-CD 3.42Å; Y496-R645 VanDerWaalsContact OH-CZ 3.27Å; Y496-R645 PolarHBondContact OH-NE 3.35Å; Y496-R645 PolarHBondContact OH-NH2 3.33Å
497H70.1Confident82.4Confident62 Ų6263.3 Ų63.329%0.28734%0.336SS..SBendtrans-128.3148.8-175.4-49.878.1000109.9A435 G499 D500 K776A435-H497 WeakPolarHBondContact CB-O 2.95Å; H497-G499 PolarHBondContact O-N 3.29Å; H497-D500 IonicContact CG-OD2 3.31Å; H497-D500 PolarHBondContact N-OD2 3.01Å; H497-D500 IonicContact ND1-OD2 2.8Å; H497-D500 PolarHBondContact ND1-OD2 2.85Å; H497-D500 WeakPolarHBondContact O-CB 3.38Å; H497-D500 PolarHBondContact O-N 3.29Å; H497-K776 PolarHBondContact CE1-NZ 3Å; H497-K776 VanDerWaalsContact CG-NZ 3.32Å; H497-K776 PolarHBondContact ND1-NZ 2.91Å; H497-K776 PolarHBondContact NE2-NZ 3.04Å
498A75.1Confident82.8Confident52 Ų5261.3 Ų61.343%0.4333%0.326SS..THydrogen-bonded Turntrans-55129170.300000110.2E437 V480E437-A498 HydrophobicContact CG-CB 4.08Å; V480-A498 HydrophobicContact CG2-CB 4.41Å
499G81.9Confident83.5Confident45 Ų4558 Ų5846%0.46431%0.314SS..THydrogen-bonded Turntrans91.2-7.4-176.900000115.3A435 H497 Q501A435-G499 PolarHBondContact O-N 3.25Å; H497-G499 PolarHBondContact O-N 3.29Å; G499-Q501 PolarHBondContact O-N 2.98Å
500D86.1Confident84.7Confident41 Ų4156.4 Ų56.422%0.21930%0.298CS..  trans-59.1126.4172.8-74.4-15.8000109.5E434 A435 L495 Y496 H497E434-D500 WeakPolarHBondContact CA-O 3.48Å; A435-D500 HydrophobicContact CB-CB 4.17Å; A435-D500 PolarHBondContact N-O 3.46Å; L495-D500 HydrophobicContact CB-CB 4.38Å; L495-D500 HydrophobicContact CD2-CB 3.72Å; Y496-D500 PolarHBondContact N-OD2 3.24Å; H497-D500 IonicContact CG-OD2 3.31Å; H497-D500 PolarHBondContact N-OD2 3.01Å; H497-D500 IonicContact ND1-OD2 2.8Å; H497-D500 PolarHBondContact ND1-OD2 2.85Å; H497-D500 WeakPolarHBondContact O-CB 3.38Å; H497-D500 PolarHBondContact O-N 3.29Å
501Q90.1Very high85.3Confident104 Ų10449.1 Ų49.149%0.48627%0.266SS..EExtended strand (participates in β ladder)trans-112140-179.5-71.1-174-11.800112.3L433 E434 R493 G499L433-Q501 CarbonylContact O-C 3.52Å; L433-Q501 VanDerWaalsContact O-CA 3.29Å; L433-Q501 WeakPolarHBondContact O-CA 3.23Å; E434-Q501 HydrophobicContact CB-CG 4.41Å; E434-Q501 HydrophobicContact CG-CG 4.29Å; R493-Q501 PolarHBondContact NH1-O 3.18Å; R493-Q501 VanDerWaalsContact NH1-O 3.12Å; G499-Q501 PolarHBondContact O-N 2.98Å
502L91.9Very high85.7Confident16 Ų1646.1 Ų46.18%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-135.4121.4175.1174.968.5000111.2L432 L433 V484 I492 R493 L495 V504L432-L502 CarbonylContact C-O 3.32Å; L432-L502 WeakPolarHBondContact CA-O 3.28Å; L433-L502 HydrophobicContact CB-CB 4.48Å; L433-L502 HydrophobicContact CD1-CD2 4.49Å; L433-L502 PolarHBondContact N-O 3.28Å; L433-L502 PolarHBondContact O-N 2.96Å; V484-L502 HydrophobicContact CB-CD2 3.89Å; V484-L502 HydrophobicContact CG1-CD2 4.02Å; V484-L502 HydrophobicContact CG2-CD2 3.77Å; I492-L502 HydrophobicContact CG2-CD1 4.33Å; I492-L502 HydrophobicContact CG2-CD2 4.19Å; R493-L502 HydrophobicContact CB-CD1 3.85Å; R493-L502 HydrophobicContact CB-CD2 3.92Å; R493-L502 HydrophobicContact CB-CG 4.47Å; R493-L502 HydrophobicContact CG-CD1 4.44Å; L495-L502 HydrophobicContact CD2-CB 3.96Å; L502-V504 HydrophobicContact CD2-CG1 3.78Å; L502-V504 HydrophobicContact CG-CG1 3.85Å; L502-V504 PolarHBondContact O-N 2.85Å
503L91.7Very high85.8Confident90 Ų9046.2 Ų46.247%0.47127%0.265SS..EExtended strand (participates in β ladder)trans-73.4118.6168.9178.365.2000109.7D430 L432 T506D430-L503 HydrophobicContact CB-CD1 3.71Å; L432-L503 HydrophobicContact CG-CD1 4.27Å; L503-T506 HydrophobicContact CD2-CG2 3.94Å; L503-T506 HydrophobicContact CG-CG2 4.43Å
504V91.2Very high85.8Confident14 Ų1445.2 Ų45.29%0.08528%0.278CS..EExtended strand (participates in β ladder)trans-112.4-22.7-176.2-68.90000114.1V409 V431 L433 V484 L502 I527V409-V504 HydrophobicContact CB-CG2 4.26Å; V409-V504 HydrophobicContact CG1-CG2 4.02Å; V409-V504 HydrophobicContact CG2-CB 4.44Å; V409-V504 HydrophobicContact CG2-CG2 4.38Å; V431-V504 HydrophobicContact CB-CG2 4.05Å; V431-V504 HydrophobicContact CG1-CG2 3.74Å; V431-V504 VanDerWaalsContact O-CG2 3.27Å; V431-V504 WeakPolarHBondContact O-CG2 3.44Å; V431-V504 PolarHBondContact O-N 2.92Å; L433-V504 HydrophobicContact CD1-CG1 3.7Å; L433-V504 HydrophobicContact CD2-CG2 4.25Å; L433-V504 HydrophobicContact CG-CG1 3.7Å; L433-V504 HydrophobicContact CG-CG2 4.05Å; V484-V504 HydrophobicContact CG1-CG1 4.5Å; L502-V504 HydrophobicContact CD2-CG1 3.78Å; L502-V504 HydrophobicContact CG-CG1 3.85Å; L502-V504 PolarHBondContact O-N 2.85Å; V504-I527 HydrophobicContact CB-CD1 4.19Å; V504-I527 HydrophobicContact CG1-CD1 4.05Å; V504-I527 HydrophobicContact CG2-CD1 4.4Å
505A90.6Very high86.1Confident2 Ų246 Ų462%0.01728%0.282CS..EExtended strand (participates in β ladder)trans-148.9132.7171.300000110.7V409 V431V409-A505 HydrophobicContact CB-CB 4.28Å; V409-A505 HydrophobicContact CG2-CB 4.23Å; V431-A505 HydrophobicContact CB-CB 4.08Å; V431-A505 HydrophobicContact CG2-CB 4.15Å; V431-A505 PolarHBondContact N-O 3.3Å; V431-A505 PolarHBondContact O-N 3.38Å
506T93.2Very high86.5Confident59 Ų5949.5 Ų49.536%0.36230%0.301SS..PPolyproline II helixtrans-90.2141.7177.952.10000112.4D430 L503 T523D430-T506 WeakPolarHBondContact OD1-CA 3.03Å; L503-T506 HydrophobicContact CD2-CG2 3.94Å; L503-T506 HydrophobicContact CG-CG2 4.43Å; T506-T523 PolarHBondContact N-OG1 3.45Å; T506-T523 PolarHBondContact O-N 2.92Å; T506-T523 VanDerWaalsContact O-N 3.11Å; T506-T523 PolarHBondContact O-OG1 3.25Å; T506-T523 VanDerWaalsContact OG1-CG2 3.26Å; T506-T523 WeakPolarHBondContact OG1-CG2 3.42Å; T506-T523 PolarHBondContact OG1-OG1 3.5Å
507G92.4Very high87.5Confident16 Ų1647.3 Ų47.317%0.16529%0.293CS..PPolyproline II helixtrans-65.3152.4168.500000112.5G412 G429 D430G412-G507 WeakPolarHBondContact O-CA 3.24Å; G429-G507 WeakPolarHBondContact O-CA 3.46Å; D430-G507 PolarHBondContact OD1-N 3.29Å
508G90.3Very high88.3Confident3 Ų350.2 Ų50.23%0.03130%0.304CS..PPolyproline II helixtrans-77140.3173.100000111.2G412 G414 G428G412-G508 PolarHBondContact O-N 3.38Å; G414-G508 VanDerWaalsContact CA-O 3.23Å; G414-G508 WeakPolarHBondContact CA-O 2.79Å; G414-G508 PolarHBondContact N-O 2.81Å; G428-G508 PolarHBondContact N-O 3.29Å
509L90.2Very high88.9Confident116 Ų11648.2 Ų48.261%0.60729%0.289SS*.PPolyproline II helixtrans-58.3141174.8-65.7170.4000112.1D427 A520D427-L509 WeakPolarHBondContact OD1-CA 3.32Å; L509-A520 HydrophobicContact CB-CB 4.21Å; L509-A520 WeakPolarHBondContact O-CB 2.98Å; L509-A520 PolarHBondContact O-N 3.49Å
510G89.3Confident89.3Confident5 Ų547.8 Ų47.85%0.05228%0.281CS..PPolyproline II helixtrans-65.4153.5174.700000113.4G425 G426 D427 C512 N515G425-G510 VanDerWaalsContact O-CA 3.27Å; G425-G510 WeakPolarHBondContact O-CA 3.46Å; G426-G510 WeakPolarHBondContact O-CA 3.3Å; D427-G510 PolarHBondContact OD1-N 3.09Å; G510-C512 PolarHBondContact O-N 3.43Å; G510-N515 PolarHBondContact O-ND2 3.4Å
511G89Confident89.5Confident0 Ų054.9 Ų54.90%031%0.31CS..PPolyproline II helixtrans-70.9117.9-179.300000112G415 G417 I424 G425 N515G415-G511 PolarHBondContact O-N 3.31Å; G417-G511 VanDerWaalsContact CA-O 3.31Å; G417-G511 WeakPolarHBondContact CA-O 3.35Å; I424-G511 CarbonylContact C-O 3.22Å; I424-G511 WeakPolarHBondContact CA-O 3.16Å; G425-G511 PolarHBondContact N-O 3.06Å; G511-N515 VanDerWaalsContact CA-OD1 3.23Å; G511-N515 WeakPolarHBondContact CA-OD1 3.24Å
512C88.6Confident89.6Confident31 Ų3150.7 Ų50.721%0.20929%0.292CS..  trans-136.2-176.2177.166.20000111I424 G510 S514 N515 D516 Y517I424-C512 HydrophobicContact CG1-CB 4.41Å; I424-C512 HydrophobicContact CG2-CB 4.23Å; G510-C512 PolarHBondContact O-N 3.43Å; C512-S514 PolarHBondContact O-N 3.04Å; C512-S514 PolarHBondContact SG-OG 2.91Å; C512-N515 PolarHBondContact N-OD1 3.2Å; C512-N515 PolarHBondContact O-N 3.26Å; C512-N515 VanDerWaalsContact O-N 3.17Å; C512-N515 PolarHBondContact O-OD1 2.83Å; C512-D516 PolarHBondContact O-N 3.2Å; C512-Y517 WeakPolarHBondContact O-CA 3.43Å; C512-Y517 PolarHBondContact O-N 3.2Å
513A86.2Confident89.4Confident76 Ų7651.8 Ų51.863%0.62830%0.299SS*.G310 helixtrans-57.3-33.2-178.200000113.4N515 Y517A513-N515 VanDerWaalsContact C-N 3.34Å; A513-N515 PolarHBondContact O-N 3.4Å; A513-Y517 HydrophobicContact CB-CE2 4.47Å
514S86.4Confident89.4Confident114 Ų11450.2 Ų50.280%0.79730%0.295SS*.G310 helixtrans-74.6-18.8-178.462.20000114.3C512C512-S514 PolarHBondContact O-N 3.04Å; C512-S514 PolarHBondContact SG-OG 2.91Å
515N85.2Confident89.1Confident45 Ų4555.7 Ų55.724%0.24132%0.315CS..G310 helixtrans-119.329.4178.26716.4000112.9G510 G511 C512 A513 Y517 K518G510-N515 PolarHBondContact O-ND2 3.4Å; G511-N515 VanDerWaalsContact CA-OD1 3.23Å; G511-N515 WeakPolarHBondContact CA-OD1 3.24Å; C512-N515 PolarHBondContact N-OD1 3.2Å; C512-N515 PolarHBondContact O-N 3.26Å; C512-N515 VanDerWaalsContact O-N 3.17Å; C512-N515 PolarHBondContact O-OD1 2.83Å; A513-N515 VanDerWaalsContact C-N 3.34Å; A513-N515 PolarHBondContact O-N 3.4Å; N515-Y517 PolarHBondContact O-N 3.43Å; N515-Y517 PolarHBondContact OD1-N 2.79Å; N515-K518 VanDerWaalsContact CG-O 3.31Å; N515-K518 PolarHBondContact ND2-O 2.83Å; N515-K518 WeakPolarHBondContact O-CB 3.41Å; N515-K518 PolarHBondContact O-N 3.19Å; N515-K518 PolarHBondContact OD1-N 2.85Å; N515-K518 PolarHBondContact OD1-O 2.69Å
516D88.5Confident89Confident74 Ų7458.5 Ų58.540%0.39633%0.33SS..THydrogen-bonded Turntrans53.935.6-179.5-170.841000112.9K419 C512 K518K419-D516 IonicContact NZ-OD1 2.69Å; K419-D516 PolarHBondContact NZ-OD1 3.49Å; C512-D516 PolarHBondContact O-N 3.2Å; D516-K518 PolarHBondContact O-N 2.86Å; D516-K518 VanDerWaalsContact O-N 3.16Å; D516-K518 IonicContact OD2-NZ 3.76Å; D516-K518 PolarHBondContact OD2-NZ 2.64Å
517Y88.8Confident88.8Confident29 Ų2955.8 Ų55.811%0.11431%0.313CS..THydrogen-bonded Turntrans60.520.2-178.6-60.8-89.8000113.7G417 K419 N422 G423 C512 A513 N515G417-Y517 PolarHBondContact N-O 3.29Å; K419-Y517 HydrophobicContact CB-CD2 3.58Å; K419-Y517 HydrophobicContact CB-CE2 3.95Å; K419-Y517 HydrophobicContact CB-CG 3.91Å; K419-Y517 HydrophobicContact CD-CD2 4.1Å; K419-Y517 HydrophobicContact CD-CE2 4.43Å; K419-Y517 HydrophobicContact CG-CD2 3.67Å; K419-Y517 HydrophobicContact CG-CE2 3.71Å; K419-Y517 HydrophobicContact CG-CG 4.5Å; N422-Y517 PolarHBondContact OD1-OH 3.27Å; G423-Y517 VanDerWaalsContact O-CD1 3.26Å; G423-Y517 WeakPolarHBondContact O-CD1 3.16Å; C512-Y517 WeakPolarHBondContact O-CA 3.43Å; C512-Y517 PolarHBondContact O-N 3.2Å; A513-Y517 HydrophobicContact CB-CE2 4.47Å; N515-Y517 PolarHBondContact O-N 3.43Å; N515-Y517 PolarHBondContact OD1-N 2.79Å
518K88.4Confident88.4Confident123 Ų12359.7 Ų59.754%0.53532%0.323SS..  trans-103.9115.1-179.6-70.2168-175147.80110.5N515 D516 A520N515-K518 VanDerWaalsContact CG-O 3.31Å; N515-K518 PolarHBondContact ND2-O 2.83Å; N515-K518 WeakPolarHBondContact O-CB 3.41Å; N515-K518 PolarHBondContact O-N 3.19Å; N515-K518 PolarHBondContact OD1-N 2.85Å; N515-K518 PolarHBondContact OD1-O 2.69Å; D516-K518 PolarHBondContact O-N 2.86Å; D516-K518 VanDerWaalsContact O-N 3.16Å; D516-K518 IonicContact OD2-NZ 3.76Å; D516-K518 PolarHBondContact OD2-NZ 2.64Å; K518-A520 PolarHBondContact O-N 2.97Å
519G87.5Confident88.2Confident10 Ų1059.6 Ų59.610%0.10332%0.321CS..PPolyproline II helixtrans-58.9130.217600000112.2G414 G415G414-G519 WeakPolarHBondContact O-CA 3.43Å; G415-G519 VanDerWaalsContact O-CA 3.26Å; G415-G519 WeakPolarHBondContact O-CA 3.08Å
520A89.6Confident87.5Confident36 Ų3654.7 Ų54.730%0.29830%0.296SS..PPolyproline II helixtrans-72.1160.1-174.400000112.4G414 L509 K518G414-A520 PolarHBondContact N-O 2.94Å; L509-A520 HydrophobicContact CB-CB 4.21Å; L509-A520 WeakPolarHBondContact O-CB 2.98Å; L509-A520 PolarHBondContact O-N 3.49Å; K518-A520 PolarHBondContact O-N 2.97Å
521K89.8Confident86.5Confident190 Ų19055.7 Ų55.783%0.82630%0.3SS*.PPolyproline II helixtrans-76142.3174.1-66.6-178.7-177.9175.80109.7
522P91.9Very high85.1Confident16 Ų1656.9 Ų56.910%0.10431%0.305CS..PPolyproline II helixtrans-74166.3172.728.9-30.2000111.7R410 G411 G412R410-P522 HydrophobicContact CG-CG 4.11Å; G411-P522 WeakPolarHBondContact O-CB 2.96Å; G411-P522 WeakPolarHBondContact O-CG 3.45Å; G412-P522 WeakPolarHBondContact O-CB 3.05Å
523T89.3Confident83.4Confident39 Ų3958.1 Ų58.124%0.23931%0.309CS..PPolyproline II helixtrans-77.6147.316556.40000110.8R410 G411 T506 Y525R410-T523 WeakPolarHBondContact CA-O 3.4Å; G411-T523 PolarHBondContact N-O 3.46Å; T506-T523 PolarHBondContact N-OG1 3.45Å; T506-T523 PolarHBondContact O-N 2.92Å; T506-T523 VanDerWaalsContact O-N 3.11Å; T506-T523 PolarHBondContact O-OG1 3.25Å; T506-T523 VanDerWaalsContact OG1-CG2 3.26Å; T506-T523 WeakPolarHBondContact OG1-CG2 3.42Å; T506-T523 PolarHBondContact OG1-OG1 3.5Å; T523-Y525 HydrophobicContact CG2-CE2 4.41Å
524S90.1Very high82.2Confident56 Ų5656.5 Ų56.539%0.39229%0.29SS..EExtended strand (participates in β ladder)trans-144.7132.3176.565.40000111Y408 V409Y408-S524 WeakPolarHBondContact OH-CB 3.44Å; V409-S524 VanDerWaalsContact O-CA 3.27Å; V409-S524 WeakPolarHBondContact O-CA 3.37Å
525Y85Confident81.2Confident129 Ų12951.3 Ų51.351%0.50625%0.253SS..EExtended strand (participates in β ladder)trans-139160-177.7-54.8-73000110.8V409 T523V409-Y525 WeakPolarHBondContact CG2-O 3.4Å; V409-Y525 PolarHBondContact N-O 3.36Å; V409-Y525 PolarHBondContact O-N 2.8Å; T523-Y525 HydrophobicContact CG2-CE2 4.41Å
526I88.2Confident80.7Confident62 Ų6250.6 Ų50.632%0.31825%0.25SC..EExtended strand (participates in β ladder)trans-100.1127160-61173.4000106.4R406 V407 Y408 D487R406-I526 HydrophobicContact CG-CG2 3.47Å; R406-I526 VanDerWaalsContact CG-CG2 3.47Å; V407-I526 WeakPolarHBondContact O-CA 3.35Å; Y408-I526 HydrophobicContact CD2-CG1 4.13Å; D487-I526 HydrophobicContact CB-CB 4.16Å; D487-I526 HydrophobicContact CB-CG2 4.22Å; D487-I526 PolarHBondContact N-O 3.25Å
527I90.6Very high80.3Confident2 Ų247.1 Ų47.11%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-119.4151.8176.763.4176.4000109.6R406 V407 V409 L433 V484 K485 I492 V504 L529R406-I527 WeakPolarHBondContact CA-O 2.97Å; V407-I527 HydrophobicContact CG2-CD1 3.92Å; V407-I527 HydrophobicContact CG2-CG1 3.43Å; V407-I527 VanDerWaalsContact CG2-CG1 3.43Å; V407-I527 PolarHBondContact N-O 3.4Å; V407-I527 PolarHBondContact O-N 3.41Å; V409-I527 HydrophobicContact CG1-CD1 3.71Å; V409-I527 HydrophobicContact CG1-CG1 4.12Å; V409-I527 HydrophobicContact CG2-CD1 4.25Å; V409-I527 HydrophobicContact CG2-CG1 4.35Å; V409-I527 HydrophobicContact CG2-CG2 4.15Å; L433-I527 HydrophobicContact CD1-CD1 4.12Å; V484-I527 HydrophobicContact CG1-CB 4.34Å; V484-I527 HydrophobicContact CG1-CD1 4.09Å; K485-I527 CarbonylContact O-C 3.49Å; K485-I527 VanDerWaalsContact O-CA 3.29Å; K485-I527 WeakPolarHBondContact O-CA 3.33Å; K485-I527 WeakPolarHBondContact O-CB 3.24Å; I492-I527 HydrophobicContact CD1-CG2 3.94Å; V504-I527 HydrophobicContact CB-CD1 4.19Å; V504-I527 HydrophobicContact CG1-CD1 4.05Å; V504-I527 HydrophobicContact CG2-CD1 4.4Å; I527-L529 HydrophobicContact CD1-CD2 4.07Å; I527-L529 HydrophobicContact CG1-CD2 4.47Å
528R84.1Confident79.8Confident98 Ų9845.7 Ų45.737%0.3723%0.225SC..EExtended strand (participates in β ladder)trans-108125.8173.5-62.9-179.3-175.4-176.43.7108.6R406 V484 K485 D487R406-R528 HydrophobicContact CB-CG 4.45Å; R406-R528 HydrophobicContact CG-CG 4.23Å; V484-R528 WeakPolarHBondContact CA-O 3.27Å; K485-R528 HydrophobicContact CB-CB 4.44Å; K485-R528 PolarHBondContact N-O 3.36Å; K485-R528 PolarHBondContact O-N 2.92Å; D487-R528 PolarHBondContact O-NE 3.5Å; D487-R528 PolarHBondContact O-NH2 3.33Å; D487-R528 IonicContact OD1-CZ 3.48Å; D487-R528 IonicContact OD1-NE 3.49Å; D487-R528 PolarHBondContact OD1-NE 2.92Å; D487-R528 IonicContact OD1-NH2 2.8Å; D487-R528 PolarHBondContact OD1-NH2 3.44Å
529L85.8Confident79.4Confident0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-100.5109.9173.3-53.1179.5000107.3H404 L405 V407 L433 L441 L444 V478 I482 V484 I527H404-L529 CarbonylContact C-O 3.52Å; H404-L529 WeakPolarHBondContact CA-O 3.39Å; L405-L529 HydrophobicContact CB-CB 4.36Å; L405-L529 PolarHBondContact N-O 2.93Å; L405-L529 PolarHBondContact O-N 2.72Å; V407-L529 HydrophobicContact CG1-CD1 4.37Å; V407-L529 HydrophobicContact CG2-CD1 4.16Å; V407-L529 HydrophobicContact CG2-CG 4.25Å; L433-L529 HydrophobicContact CD1-CD2 3.72Å; L441-L529 HydrophobicContact CD2-CB 4.23Å; L441-L529 HydrophobicContact CD2-CD1 4.33Å; L444-L529 HydrophobicContact CD2-CD1 4.09Å; V478-L529 HydrophobicContact CG1-CD1 4.15Å; I482-L529 HydrophobicContact CG2-CB 4.04Å; I482-L529 HydrophobicContact CG2-CD2 4.06Å; V484-L529 HydrophobicContact CB-CD2 4.46Å; V484-L529 HydrophobicContact CG1-CD2 4.08Å; V484-L529 HydrophobicContact CG2-CD2 3.94Å; I527-L529 HydrophobicContact CD1-CD2 4.07Å; I527-L529 HydrophobicContact CG1-CD2 4.47Å
530D76.1Confident78.9Confident13 Ų1339.4 Ų39.47%0.0720%0.195CC..EExtended strand (participates in β ladder)trans-106102178.4-61.7-15.6000107.8D403 H404 T483 K485 K532D403-D530 CarbonylContact O-C 3.59Å; D403-D530 VanDerWaalsContact O-CA 3.26Å; D403-D530 WeakPolarHBondContact O-CA 3.3Å; H404-D530 IonicContact CE1-OD1 2.67Å; H404-D530 IonicContact CG-OD1 3.5Å; H404-D530 IonicContact ND1-OD1 3.49Å; H404-D530 PolarHBondContact ND1-OD1 3.12Å; H404-D530 IonicContact ND1-OD2 3.51Å; T483-D530 PolarHBondContact N-O 2.98Å; T483-D530 PolarHBondContact O-N 3.08Å; K485-D530 WeakPolarHBondContact CD-OD2 2.97Å; K485-D530 VanDerWaalsContact CE-OD2 3.29Å; K485-D530 WeakPolarHBondContact CE-OD2 3.47Å; K485-D530 IonicContact NZ-OD2 3.94Å; K485-D530 PolarHBondContact NZ-OD2 3.03Å; D530-K532 PolarHBondContact O-N 3.13Å
531L67.9Low78.1Confident26 Ų2637.7 Ų37.714%0.13618%0.181CC..EExtended strand (participates in β ladder)trans-68.2117.3168.3-179.366.9000108.3D403 L441 P479 V480 I482D403-L531 PolarHBondContact O-N 2.89Å; L441-L531 HydrophobicContact CD1-CB 3.44Å; L441-L531 VanDerWaalsContact CD1-CB 3.44Å; L441-L531 HydrophobicContact CG-CB 4.1Å; P479-L531 HydrophobicContact CB-CD1 3.87Å; V480-L531 WeakPolarHBondContact O-CD1 3.24Å; I482-L531 HydrophobicContact CG1-CB 4.21Å; I482-L531 HydrophobicContact CG1-CD1 3.93Å
532K59.6Low76.8Confident26 Ų2629.1 Ų29.111%0.11314%0.144CC..  trans-102.5126.6172.5-68.7-179.9-175.7160.10107.4G481 T483 D530 I534 R645G481-K532 PolarHBondContact O-N 3.05Å; T483-K532 WeakPolarHBondContact OG1-CD 3.03Å; T483-K532 WeakPolarHBondContact OG1-CE 3.48Å; T483-K532 PolarHBondContact OG1-NZ 3.33Å; D530-K532 PolarHBondContact O-N 3.13Å; K532-I534 PolarHBondContact O-N 3.46Å; K532-R645 VanDerWaalsContact NZ-NH2 3.16Å
533L51.6Low75.2Confident56 Ų5629 Ų2929%0.29314%0.143SC..  trans-62.3108.2177.6-72.7166.5000109.8L606 H642L533-L606 HydrophobicContact CD2-CD2 4.42Å; L533-H642 PolarHBondContact N-CD2 2.81Å; L533-H642 VanDerWaalsContact N-CD2 3.33Å; L533-H642 PolarHBondContact N-NE2 3.49Å; L533-H642 PolarHBondContact O-CD2 3.23Å
534I62.1Low73.4Confident43 Ų4329.9 Ų29.922%0.22114%0.143CC..  trans-89.7110.8172-57.2172.9000106G481 Y496 K532 S618 R645G481-I534 VanDerWaalsContact CA-CD1 3.46Å; Y496-I534 HydrophobicContact CD1-CD1 3.89Å; Y496-I534 HydrophobicContact CE1-CD1 4.47Å; K532-I534 PolarHBondContact O-N 3.46Å; I534-S618 PolarHBondContact O-OG 3.06Å; I534-R645 HydrophobicContact CG2-CB 4.26Å
535A66.2Low71.3Confident4 Ų432 Ų323%0.03315%0.15CC..  trans-88.2139.8165.300000108.6L606 S618 A620 T646A535-L606 HydrophobicContact CB-CD1 4.05Å; A535-S618 VanDerWaalsContact CA-OG 3.32Å; A535-S618 WeakPolarHBondContact CA-OG 3.36Å; A535-A620 HydrophobicContact CB-CB 3.32Å; A535-T646 HydrophobicContact CB-CG2 4.33Å; A535-T646 VanDerWaalsContact O-CA 3.24Å; A535-T646 WeakPolarHBondContact O-CA 3.3Å; A535-T646 WeakPolarHBondContact O-CG2 3.48Å
536D74.3Confident69.7Low31 Ų3128.5 Ų28.517%0.16614%0.136CC..SBendtrans-74.1-37.6176.4-57.2-62.9000110.6I617 S618 Y647 L648 I765D536-I617 HydrophobicContact CB-CG2 3.91Å; D536-S618 WeakPolarHBondContact CB-O 3.45Å; D536-S618 PolarHBondContact N-O 3.37Å; D536-S618 PolarHBondContact N-OG 2.83Å; D536-S618 PolarHBondContact OD2-N 3.21Å; D536-S618 PolarHBondContact OD2-OG 3.37Å; D536-Y647 HydrophobicContact CB-CD2 4.01Å; D536-Y647 PolarHBondContact O-N 3.09Å; D536-Y647 VanDerWaalsContact OD1-CE2 3.28Å; D536-Y647 WeakPolarHBondContact OD1-CE2 3.45Å; D536-L648 PolarHBondContact O-N 3Å; D536-I765 HydrophobicContact CB-CD1 4.04Å
537V79.4Confident68.1Low0 Ų025.7 Ų25.70%012%0.121CC..EExtended strand (participates in β ladder)trans-120.3130.5179.3-174.50000110.9I617 S618 V619 A620 L648 L650 L761 I765V537-I617 HydrophobicContact CG2-CG2 4.08Å; V537-S618 PolarHBondContact N-O 3.15Å; V537-V619 HydrophobicContact CB-CG1 4.31Å; V537-V619 HydrophobicContact CB-CG2 4.19Å; V537-V619 HydrophobicContact CG1-CG1 4.46Å; V537-V619 CarbonylContact O-C 3.55Å; V537-V619 WeakPolarHBondContact O-CA 3.42Å; V537-A620 PolarHBondContact O-N 3.36Å; V537-L648 WeakPolarHBondContact CA-O 3.38Å; V537-L648 HydrophobicContact CG1-CD2 4.15Å; V537-L650 HydrophobicContact CG1-CB 3.77Å; V537-L761 HydrophobicContact CG1-CD2 4.48Å; V537-L761 HydrophobicContact CG2-CD2 4.34Å; V537-I765 HydrophobicContact CG2-CD1 3.69Å
538G78.8Confident66.2Low0 Ų027.2 Ų27.20%013%0.129CC..EExtended strand (participates in β ladder)trans-100.3120.617000000111.7L648 L649 L650G538-L648 PolarHBondContact N-O 3Å; G538-L649 WeakPolarHBondContact O-CA 3.35Å; G538-L650 PolarHBondContact O-N 2.95Å
539L79.1Confident64.5Low0 Ų022.9 Ų22.90%011%0.114CC..EExtended strand (participates in β ladder)trans-82.4128.5176-55174.1000110.6R547 M548 F551 V619 A620 L622 L650 I652L539-R547 HydrophobicContact CD1-CB 3.93Å; L539-R547 VanDerWaalsContact CD1-O 3.23Å; L539-R547 WeakPolarHBondContact CD1-O 3.18Å; L539-M548 HydrophobicContact CD1-CG 4.39Å; L539-F551 HydrophobicContact CD2-CE2 4.2Å; L539-V619 HydrophobicContact CD1-CG1 3.6Å; L539-V619 HydrophobicContact CD2-CG1 3.6Å; L539-V619 HydrophobicContact CG-CG1 3.44Å; L539-V619 VanDerWaalsContact CG-CG1 3.44Å; L539-A620 PolarHBondContact N-O 3.15Å; L539-L622 WeakPolarHBondContact O-CB 3.42Å; L539-L622 WeakPolarHBondContact O-CG 3.4Å; L539-L622 PolarHBondContact O-N 3.23Å; L539-L650 WeakPolarHBondContact CA-O 3.49Å; L539-L650 HydrophobicContact CD2-CB 3.97Å; L539-L650 HydrophobicContact CD2-CD2 3.62Å; L539-L650 HydrophobicContact CD2-CG 4.16Å; L539-I652 HydrophobicContact CD2-CD1 4.12Å
540V78.3Confident62.9Low0 Ų023.2 Ų23.20%012%0.116CC..EExtended strand (participates in β ladder)trans-120.1135.1176175.70000108.1L622 L625 L649 L650 F651 I652 L676 I680V540-L622 HydrophobicContact CG2-CD1 3.7Å; V540-L625 HydrophobicContact CB-CD1 4.29Å; V540-L625 HydrophobicContact CG1-CD1 3.52Å; V540-L625 HydrophobicContact CG2-CD1 3.99Å; V540-L649 HydrophobicContact CG2-CD2 4.49Å; V540-L650 PolarHBondContact N-O 3.46Å; V540-F651 HydrophobicContact CB-CD1 3.93Å; V540-F651 HydrophobicContact CB-CE1 4.1Å; V540-F651 HydrophobicContact CB-CG 4.26Å; V540-F651 HydrophobicContact CG1-CD1 3.56Å; V540-F651 HydrophobicContact CG1-CE1 3.53Å; V540-F651 HydrophobicContact CG1-CG 4.38Å; V540-F651 HydrophobicContact CG1-CZ 4.31Å; V540-F651 CarbonylContact O-C 3.55Å; V540-F651 VanDerWaalsContact O-CA 3.26Å; V540-F651 WeakPolarHBondContact O-CA 3.48Å; V540-I652 PolarHBondContact O-N 3.42Å; V540-L676 HydrophobicContact CG1-CB 4.2Å; V540-L676 HydrophobicContact CG1-CD1 4.23Å; V540-L676 HydrophobicContact CG1-CD2 4.14Å; V540-L676 HydrophobicContact CG1-CG 4.44Å; V540-I680 HydrophobicContact CG1-CD1 4.08Å; V540-I680 HydrophobicContact CG2-CD1 3.98Å
541G71.6Confident61.8Low0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans178.2-175.6174.500000113.5R547 I652G541-R547 VanDerWaalsContact C-NH2 3.31Å; G541-R547 VanDerWaalsContact O-CZ 3.24Å; G541-R547 PolarHBondContact O-NH2 3.09Å; G541-I652 WeakPolarHBondContact CA-O 3.46Å
542T63.2Low60.8Low10 Ų1026.5 Ų26.56%0.06113%0.132CC..SBendtrans-111.7-12.4171.552.60000112.5F544 F658 T672 L676T542-F544 WeakPolarHBondContact O-CD2 3.21Å; T542-F544 PolarHBondContact O-N 3.36Å; T542-F658 VanDerWaalsContact CB-CD2 3.48Å; T542-F658 HydrophobicContact CG2-CB 4.49Å; T542-F658 HydrophobicContact CG2-CD1 3.87Å; T542-F658 HydrophobicContact CG2-CD2 3.94Å; T542-F658 HydrophobicContact CG2-CE1 4Å; T542-F658 HydrophobicContact CG2-CE2 4.07Å; T542-F658 HydrophobicContact CG2-CG 3.83Å; T542-F658 HydrophobicContact CG2-CZ 4.09Å; T542-T672 HydrophobicContact CG2-CG2 3.72Å; T542-L676 HydrophobicContact CG2-CD1 4.47Å; T542-L676 HydrophobicContact CG2-CD2 4.33Å
543D57.8Low59.9Low13 Ų1333.7 Ų33.77%0.0717%0.166CC..  trans-9476.4-172.7-161.920.2000111.5I545 Y546 R547 N697 K698D543-I545 PolarHBondContact O-N 3.33Å; D543-Y546 PolarHBondContact O-N 2.88Å; D543-Y546 VanDerWaalsContact OD2-CD2 3.23Å; D543-Y546 WeakPolarHBondContact OD2-CD2 3.27Å; D543-R547 WeakPolarHBondContact O-CG 3.2Å; D543-N697 PolarHBondContact OD2-ND2 3.33Å; D543-K698 VanDerWaalsContact CG-CE 3.41Å; D543-K698 WeakPolarHBondContact OD1-CE 3.33Å; D543-K698 IonicContact OD1-NZ 3.87Å; D543-K698 PolarHBondContact OD1-NZ 3.27Å; D543-K698 WeakPolarHBondContact OD2-CE 3.44Å; D543-K698 IonicContact OD2-NZ 2.71Å; D543-K698 PolarHBondContact OD2-NZ 2.89Å
544F51.3Low59.1Low58 Ų5836.4 Ų36.425%0.25418%0.181SC..THydrogen-bonded Turntrans-50.4-32-174.4-69-85.6000114.6T542 L598 I626T542-F544 WeakPolarHBondContact O-CD2 3.21Å; T542-F544 PolarHBondContact O-N 3.36Å; F544-L598 HydrophobicContact CB-CD2 4.14Å; F544-L598 HydrophobicContact CD1-CD2 4.5Å; F544-L598 HydrophobicContact CD2-CD2 3.49Å; F544-L598 VanDerWaalsContact CD2-CD2 3.49Å; F544-L598 HydrophobicContact CE2-CD2 3.97Å; F544-L598 HydrophobicContact CG-CD2 3.8Å; F544-I626 HydrophobicContact CZ-CG2 4.14Å
545I45.4Very low58Low102 Ų10238.6 Ų38.652%0.52319%0.187SC..THydrogen-bonded Turntrans-77.6-24.6-171.4-63174.1000112.5D543D543-I545 PolarHBondContact O-N 3.33Å
546Y52.4Low56.5Low54 Ų5441.2 Ų41.221%0.21220%0.197CC..THydrogen-bonded Turntrans-112.9-3.3-169.7-67-80.8000115.2D543 M548 A549 C550 N697 A748 K749D543-Y546 PolarHBondContact O-N 2.88Å; D543-Y546 VanDerWaalsContact OD2-CD2 3.23Å; D543-Y546 WeakPolarHBondContact OD2-CD2 3.27Å; Y546-M548 VanDerWaalsContact C-N 3.32Å; Y546-M548 PolarHBondContact O-N 3.28Å; Y546-A549 HydrophobicContact CD1-CB 4.5Å; Y546-A549 PolarHBondContact O-N 3.21Å; Y546-C550 PolarHBondContact O-N 2.97Å; Y546-C550 PolarHBondContact O-SG 2.87Å; Y546-C550 VanDerWaalsContact O-SG 3.38Å; Y546-N697 WeakPolarHBondContact CB-ND2 3.18Å; Y546-A748 HydrophobicContact CD1-CB 3.51Å; Y546-A748 HydrophobicContact CE1-CB 4.29Å; Y546-A748 HydrophobicContact CG-CB 4.04Å; Y546-K749 HydrophobicContact CE1-CB 4.29Å
547R54.1Low54.4Low3 Ų345.8 Ų45.81%0.01123%0.226CC..THydrogen-bonded Turntrans-59-41.4-173.7-63.7-171.3-163.1-174.612.7113.1L539 G541 D543 D621 L622 I652L539-R547 HydrophobicContact CD1-CB 3.93Å; L539-R547 VanDerWaalsContact CD1-O 3.23Å; L539-R547 WeakPolarHBondContact CD1-O 3.18Å; G541-R547 VanDerWaalsContact C-NH2 3.31Å; G541-R547 VanDerWaalsContact O-CZ 3.24Å; G541-R547 PolarHBondContact O-NH2 3.09Å; D543-R547 WeakPolarHBondContact O-CG 3.2Å; R547-D621 WeakPolarHBondContact CD-OD1 3.29Å; R547-D621 IonicContact CZ-OD1 3.73Å; R547-D621 IonicContact NE-OD1 3.25Å; R547-D621 IonicContact NH1-OD1 2.7Å; R547-D621 PolarHBondContact NH1-OD1 3.33Å; R547-L622 PolarHBondContact NH1-O 3.01Å; R547-I652 HydrophobicContact CB-CD1 4.31Å; R547-I652 HydrophobicContact CG-CD1 4.37Å
548M51.4Low52.1Low34 Ų3449 Ų4917%0.16725%0.245CC..THydrogen-bonded Turntrans-99.6-25176.2-84.3161.457.800114.6L539 Y546 C550 F551 Q605L539-M548 HydrophobicContact CD1-CG 4.39Å; Y546-M548 VanDerWaalsContact C-N 3.32Å; Y546-M548 PolarHBondContact O-N 3.28Å; M548-C550 PolarHBondContact O-N 2.99Å; M548-F551 PolarHBondContact O-N 3.35Å; M548-Q605 HydrophobicContact CE-CB 3.72Å; M548-Q605 HydrophobicContact CE-CG 4.49Å; M548-Q605 HydrophobicContact SD-CB 3.14Å; M548-Q605 WeakPolarHBondContact SD-CB 3.17Å; M548-Q605 HydrophobicContact SD-CG 4.15Å; M548-Q605 PolarHBondContact SD-OE1 2.95Å
549A48.1Very low49.8Very low7 Ų752.2 Ų52.26%0.05828%0.278CS..THydrogen-bonded Turntrans-61.6-18.1179.400000112.9Y546 F551 Y555 Y556Y546-A549 HydrophobicContact CD1-CB 4.5Å; Y546-A549 PolarHBondContact O-N 3.21Å; A549-F551 VanDerWaalsContact C-N 3.25Å; A549-F551 PolarHBondContact O-N 3.49Å; A549-Y555 HydrophobicContact CB-CD1 4Å; A549-Y555 HydrophobicContact CB-CG 4.37Å; A549-Y556 HydrophobicContact CB-CE2 4.43Å; A549-Y556 WeakPolarHBondContact O-CE2 3.17Å; A549-Y556 PolarHBondContact O-OH 3.47Å
550C51.5Low47.5Very low7 Ų761.2 Ų61.25%0.04731%0.314CS..THydrogen-bonded Turntrans-67.3-21172.4-69.20000114Y546 M548 A748 I754Y546-C550 PolarHBondContact O-N 2.97Å; Y546-C550 PolarHBondContact O-SG 2.87Å; Y546-C550 VanDerWaalsContact O-SG 3.38Å; M548-C550 PolarHBondContact O-N 2.99Å; C550-A748 WeakPolarHBondContact SG-CB 3.44Å; C550-I754 HydrophobicContact CB-CD1 4.44Å; C550-I754 WeakPolarHBondContact O-CG2 3.4Å
551F53.6Low45.2Very low38 Ų3868.6 Ų68.617%0.16735%0.346CS..SBendtrans-119.62.4-165.7-60.3-69.4000114.8L539 M548 A549 I609 L650 I758 L761L539-F551 HydrophobicContact CD2-CE2 4.2Å; M548-F551 PolarHBondContact O-N 3.35Å; A549-F551 VanDerWaalsContact C-N 3.25Å; A549-F551 PolarHBondContact O-N 3.49Å; F551-I609 HydrophobicContact CB-CD1 4.43Å; F551-I609 HydrophobicContact CB-CG1 4.21Å; F551-I609 HydrophobicContact CD1-CD1 3.56Å; F551-I609 HydrophobicContact CD1-CG1 4.2Å; F551-I609 HydrophobicContact CE1-CD1 3.99Å; F551-I609 HydrophobicContact CG-CD1 4.06Å; F551-I609 HydrophobicContact CG-CG1 4.37Å; F551-L650 HydrophobicContact CE2-CD2 4.07Å; F551-L650 HydrophobicContact CZ-CD2 3.67Å; F551-I758 HydrophobicContact CD1-CD1 3.96Å; F551-I758 HydrophobicContact CD1-CG1 3.71Å; F551-I758 HydrophobicContact CE1-CD1 4.46Å; F551-I758 HydrophobicContact CE1-CG1 3.76Å; F551-L761 HydrophobicContact CE1-CD1 3.97Å; F551-L761 HydrophobicContact CZ-CD1 4.09Å
552D47.6Very low43.5Very low70 Ų7074 Ų7437%0.37438%0.375SS..  trans-131.2114.8177.2-171-7.5000110.4N554 Y555D552-N554 PolarHBondContact O-N 3.39Å; D552-N554 VanDerWaalsContact O-N 3.14Å; D552-N554 WeakPolarHBondContact OD1-CB 3.41Å; D552-N554 PolarHBondContact OD1-N 2.87Å; D552-Y555 HydrophobicContact CB-CD2 4.06Å; D552-Y555 PolarHBondContact O-N 3.31Å
553E39.8Very low42.3Very low177 Ų17780 Ų8083%0.82741%0.406SS*.THydrogen-bonded Turntrans-60.8-18.9176.5-73.4-170.8153.100112.7
554N35.7Very low41.3Very low113 Ų11386.3 Ų86.360%0.60443%0.433SS*.THydrogen-bonded Turntrans-88.5-5-179-67.5-64.6000114.7D552 Y556 T557D552-N554 PolarHBondContact O-N 3.39Å; D552-N554 VanDerWaalsContact O-N 3.14Å; D552-N554 WeakPolarHBondContact OD1-CB 3.41Å; D552-N554 PolarHBondContact OD1-N 2.87Å; N554-Y556 VanDerWaalsContact C-N 3.35Å; N554-Y556 PolarHBondContact O-N 2.95Å; N554-T557 PolarHBondContact O-OG1 3.17Å
555Y39.1Very low40.7Very low90 Ų9086.4 Ų86.435%0.35344%0.444SS..G310 helixtrans-73.8-21.5-174-126.2-95.4000114A549 D552 T557 T558A549-Y555 HydrophobicContact CB-CD1 4Å; A549-Y555 HydrophobicContact CB-CG 4.37Å; D552-Y555 HydrophobicContact CB-CD2 4.06Å; D552-Y555 PolarHBondContact O-N 3.31Å; Y555-T557 VanDerWaalsContact C-N 3.33Å; Y555-T557 PolarHBondContact O-N 3.12Å; Y555-T558 PolarHBondContact O-OG1 2.95Å
556Y34.3Very low40.6Very low59 Ų5986.1 Ų86.123%0.23145%0.447CS..G310 helixtrans-81.5-2.8-168.8-71.4-93.4000115.6A549 N554 A748 H751A549-Y556 HydrophobicContact CB-CE2 4.43Å; A549-Y556 WeakPolarHBondContact O-CE2 3.17Å; A549-Y556 PolarHBondContact O-OH 3.47Å; N554-Y556 VanDerWaalsContact C-N 3.35Å; N554-Y556 PolarHBondContact O-N 2.95Å; Y556-A748 PolarHBondContact OH-O 2.91Å; Y556-H751 AromaticContact CD1-NE2 3.89Å; Y556-H751 AromaticContact CD2-CE1 3.39Å; Y556-H751 WeakPolarHBondContact CD2-CE1 3.4Å; Y556-H751 AromaticContact CD2-NE2 3.03Å; Y556-H751 WeakPolarHBondContact CD2-NE2 3.32Å; Y556-H751 AromaticContact CE1-NE2 3.79Å; Y556-H751 AromaticContact CE2-CE1 2.93Å; Y556-H751 WeakPolarHBondContact CE2-CE1 3.29Å; Y556-H751 AromaticContact CE2-ND1 3.98Å; Y556-H751 AromaticContact CE2-NE2 2.97Å; Y556-H751 WeakPolarHBondContact CE2-NE2 3.41Å; Y556-H751 AromaticContact CG-NE2 3.52Å; Y556-H751 AromaticContact CZ-CE1 3.47Å; Y556-H751 VanDerWaalsContact CZ-CE1 3.47Å; Y556-H751 AromaticContact CZ-NE2 3.34Å; Y556-H751 VanDerWaalsContact CZ-NE2 3.34Å
557T30.8Very low40.2Very low127 Ų12789.3 Ų89.378%0.77947%0.467SS*.G310 helixtrans-86.1-5.1177.9480000113.9N554 Y555N554-T557 PolarHBondContact O-OG1 3.17Å; Y555-T557 VanDerWaalsContact C-N 3.33Å; Y555-T557 PolarHBondContact O-N 3.12Å
558T30.4Very low39.8Very low66 Ų6692.3 Ų92.341%0.40549%0.486SS..SBendtrans-128.216.1-169.323.90000115.9Y555Y555-T558 PolarHBondContact O-OG1 2.95Å
559G30.5Very low39.4Very low68 Ų6897.7 Ų97.770%0.70151%0.509SS*.  trans-143.345.7-17100000116.7
560Y31.2Very low39.5Very low190 Ų190101.2 Ų101.275%0.74553%0.529SS*.  trans-102.8110165.2-85.8-92.7000108.8
561F28.9Very low39.2Very low155 Ų155109.7 Ų109.768%0.6856%0.56SS**  trans173.985.8146.6-96.9-70.6000109.3F564F561-F564 HydrophobicContact CD1-CB 3.75Å; F561-F564 HydrophobicContact CE1-CB 3.63Å; F561-F564 HydrophobicContact CE1-CG 4.11Å
562N35.9Very low39.2Very low112 Ų112110.1 Ų110.160%0.59957%0.566SS**SBendtrans-142.610.7165.5-102-19000114.5
563L39.1Very low39.5Very low137 Ų137111.8 Ų111.872%0.71757%0.574SS**SBendtrans-119.5-20.9173.1-146.476.2000113.4
564F35.6Very low40.1Very low145 Ų145109.4 Ų109.464%0.63657%0.566SS**Hα-helixtrans-77.8-30.9177.1-117.7-93.4000112.6F561 V566 V568F561-F564 HydrophobicContact CD1-CB 3.75Å; F561-F564 HydrophobicContact CE1-CB 3.63Å; F561-F564 HydrophobicContact CE1-CG 4.11Å; F564-V566 PolarHBondContact O-N 3.46Å; F564-V568 HydrophobicContact CD1-CG2 4.06Å; F564-V568 WeakPolarHBondContact O-CB 3.24Å; F564-V568 WeakPolarHBondContact O-CG2 3.35Å; F564-V568 PolarHBondContact O-N 2.87Å; F564-V568 VanDerWaalsContact O-N 3.08Å
565A39.7Very low41Very low60 Ų60108 Ų10850%0.49656%0.558SS.*Hα-helixtrans-66.5-37.8-179.500000112.6F569A565-F569 WeakPolarHBondContact O-CB 3.45Å; A565-F569 PolarHBondContact O-N 3.35Å
566V42.9Very low41.6Very low96 Ų96106 Ų10658%0.58256%0.564SS**Hα-helixtrans-75.3-39.8-177.8-178.10000112.1F564 F569 V570F564-V566 PolarHBondContact O-N 3.46Å; V566-F569 PolarHBondContact O-N 2.93Å; V566-V570 WeakPolarHBondContact O-CG2 3.49Å; V566-V570 PolarHBondContact O-N 3.47Å; V566-V570 VanDerWaalsContact O-N 3.1Å
567L43.7Very low42.4Very low121 Ų121111.4 Ų111.463%0.63459%0.592SS**Hα-helixtrans-71.5-36.1177.4-82.4160.8000112.2W571L567-W571 WeakPolarHBondContact O-CB 3.23Å; L567-W571 PolarHBondContact O-N 2.88Å
568V45.5Very low43.5Very low67 Ų67112.5 Ų112.541%0.40659%0.592SS.*Hα-helixtrans-69.5-36.7173.4175.10000110.8F564 W571 V572F564-V568 HydrophobicContact CD1-CG2 4.06Å; F564-V568 WeakPolarHBondContact O-CB 3.24Å; F564-V568 WeakPolarHBondContact O-CG2 3.35Å; F564-V568 PolarHBondContact O-N 2.87Å; F564-V568 VanDerWaalsContact O-N 3.08Å; V568-W571 PolarHBondContact O-N 3.32Å; V568-V572 HydrophobicContact CG1-CG2 3.83Å; V568-V572 WeakPolarHBondContact O-CB 3.46Å; V568-V572 WeakPolarHBondContact O-CG2 3.5Å; V568-V572 PolarHBondContact O-N 3.19Å
569F43.7Very low44.2Very low147 Ų147116.7 Ų116.765%0.64561%0.611SS**Hα-helixtrans-64.6-41.8176.1-130.2-101.6000112.7A565 V566 I573A565-F569 WeakPolarHBondContact O-CB 3.45Å; A565-F569 PolarHBondContact O-N 3.35Å; V566-F569 PolarHBondContact O-N 2.93Å; F569-I573 HydrophobicContact CD1-CD1 3.77Å; F569-I573 HydrophobicContact CE1-CD1 4.2Å; F569-I573 WeakPolarHBondContact O-CB 3.46Å; F569-I573 WeakPolarHBondContact O-CD1 3.5Å; F569-I573 WeakPolarHBondContact O-CG1 3.45Å; F569-I573 PolarHBondContact O-N 3.13Å
570V50.1Low44.9Very low81 Ų81118 Ų11849%0.49161%0.61SS.*Hα-helixtrans-68.5-37.7176.9175.40000111.2V566 L574V566-V570 WeakPolarHBondContact O-CG2 3.49Å; V566-V570 PolarHBondContact O-N 3.47Å; V566-V570 VanDerWaalsContact O-N 3.1Å; V570-L574 HydrophobicContact CG1-CD1 4.16Å; V570-L574 WeakPolarHBondContact O-CD1 3.09Å; V570-L574 PolarHBondContact O-N 3.43Å
571W46.1Very low45.6Very low184 Ų184112.6 Ų112.670%0.69760%0.604SS**Hα-helixtrans-73.5-35.9178.2-138.963.6000113L567 V568 L574 I575L567-W571 WeakPolarHBondContact O-CB 3.23Å; L567-W571 PolarHBondContact O-N 2.88Å; V568-W571 PolarHBondContact O-N 3.32Å; W571-L574 PolarHBondContact O-N 3.14Å; W571-I575 HydrophobicContact CD2-CD1 3.76Å; W571-I575 HydrophobicContact CE3-CD1 3.46Å; W571-I575 VanDerWaalsContact CE3-CD1 3.46Å; W571-I575 HydrophobicContact CH2-CD1 3.75Å; W571-I575 HydrophobicContact CZ2-CD1 4.03Å; W571-I575 HydrophobicContact CZ3-CD1 3.45Å; W571-I575 VanDerWaalsContact CZ3-CD1 3.45Å; W571-I575 PolarHBondContact O-N 2.93Å
572V51.9Low46.5Very low48 Ų48110 Ų11029%0.29160%0.604SS.*Hα-helixtrans-71.1-33.4176.6170.30000111.6V568 G576 F584V568-V572 HydrophobicContact CG1-CG2 3.83Å; V568-V572 WeakPolarHBondContact O-CB 3.46Å; V568-V572 WeakPolarHBondContact O-CG2 3.5Å; V568-V572 PolarHBondContact O-N 3.19Å; V572-G576 WeakPolarHBondContact O-CA 3.34Å; V572-G576 PolarHBondContact O-N 2.95Å; V572-F584 HydrophobicContact CG1-CE1 4.08Å; V572-F584 HydrophobicContact CG1-CZ 4.15Å
573I54.2Low47.2Very low104 Ų104111.2 Ų111.253%0.53361%0.609SS.*Hα-helixtrans-69.1-35.1172.3-69.1168.4000111.4F569F569-I573 HydrophobicContact CD1-CD1 3.77Å; F569-I573 HydrophobicContact CE1-CD1 4.2Å; F569-I573 WeakPolarHBondContact O-CB 3.46Å; F569-I573 WeakPolarHBondContact O-CD1 3.5Å; F569-I573 WeakPolarHBondContact O-CG1 3.45Å; F569-I573 PolarHBondContact O-N 3.13Å
574L52.8Low47.3Very low127 Ų127110.1 Ų110.167%0.66560%0.599SS**Hα-helixtrans-74.6-32.3178.2-102.6131.2000113.7V570 W571V570-L574 HydrophobicContact CG1-CD1 4.16Å; V570-L574 WeakPolarHBondContact O-CD1 3.09Å; V570-L574 PolarHBondContact O-N 3.43Å; W571-L574 PolarHBondContact O-N 3.14Å
575I55Low47.8Very low84 Ų84109 Ų10943%0.43160%0.598SS.*Hα-helixtrans-90.7-24.9178.9-65.5173.8000112.1W571 Q577 L578W571-I575 HydrophobicContact CD2-CD1 3.76Å; W571-I575 HydrophobicContact CE3-CD1 3.46Å; W571-I575 VanDerWaalsContact CE3-CD1 3.46Å; W571-I575 HydrophobicContact CH2-CD1 3.75Å; W571-I575 HydrophobicContact CZ2-CD1 4.03Å; W571-I575 HydrophobicContact CZ3-CD1 3.45Å; W571-I575 VanDerWaalsContact CZ3-CD1 3.45Å; W571-I575 PolarHBondContact O-N 2.93Å; I575-Q577 PolarHBondContact O-N 3.38Å; I575-Q577 VanDerWaalsContact O-N 3.12Å; I575-L578 PolarHBondContact O-N 3.17Å
576G50.4Low47.9Very low47 Ų47112.7 Ų112.749%0.48561%0.609SS.*THydrogen-bonded Turntrans-67.8-5.6179.600000115.8V572 L578V572-G576 WeakPolarHBondContact O-CA 3.34Å; V572-G576 PolarHBondContact O-N 2.95Å; G576-L578 VanDerWaalsContact C-N 3.35Å
577Q52.6Low47.6Very low173 Ų173115.5 Ų115.581%0.80861%0.613SS**THydrogen-bonded Turntrans-83.1-3.5176.4-68-159-24.600114.5I575I575-Q577 PolarHBondContact O-N 3.38Å; I575-Q577 VanDerWaalsContact O-N 3.12Å
578L53.6Low47.5Very low150 Ų150115.1 Ų115.179%0.78561%0.607SS**SBendtrans-119.4-6.4-167.4-93.8151.1000117.3I575 G576I575-L578 PolarHBondContact O-N 3.17Å; G576-L578 VanDerWaalsContact C-N 3.35Å
579L44.2Very low47.2Very low155 Ų155116.4 Ų116.481%0.81262%0.615SS**SBendtrans-138.5134.2-176.1-87.5147000113.3
580S46.3Very low47Very low96 Ų96114.9 Ų114.967%0.67162%0.618SS**  trans-33.8131.4-179.4178.80000115.8C582S580-C582 PolarHBondContact O-N 3.03Å
581A45.1Very low46.4Very low76 Ų76116.4 Ų116.463%0.62862%0.623SS**THydrogen-bonded Turntrans-64.7-3.8-167.700000117.2
582C48.3Very low45.6Very low100 Ų100111.4 Ų111.468%0.67662%0.615SS**THydrogen-bonded Turntrans-95.6-18.6-170.2-660000115.3S580S580-C582 PolarHBondContact O-N 3.03Å
583I50.3Low44.6Very low138 Ų138114.7 Ų114.771%0.70864%0.639SS**SBendtrans-95.3-24.5-176-64170000111.8I585I583-I585 VanDerWaalsContact C-N 3.3Å; I583-I585 PolarHBondContact O-N 3.31Å
584F42.3Very low43.5Very low114 Ų114113.8 Ų113.850%0.563%0.634SS.*THydrogen-bonded Turntrans-70.5-23.9-177.2-133.2-94.8000113.7V572 F588V572-F584 HydrophobicContact CG1-CE1 4.08Å; V572-F584 HydrophobicContact CG1-CZ 4.15Å; F584-F588 HydrophobicContact CD1-CD2 4.42Å; F584-F588 HydrophobicContact CE1-CD2 4.15Å; F584-F588 HydrophobicContact CE1-CE2 4.12Å
585I45.6Very low42.3Very low120 Ų120113.5 Ų113.562%0.61563%0.625SS**THydrogen-bonded Turntrans-77.9-22.8-174.8-63.1172000112.3I583 T589I583-I585 VanDerWaalsContact C-N 3.3Å; I583-I585 PolarHBondContact O-N 3.31Å; I585-T589 VanDerWaalsContact O-CG2 3.3Å; I585-T589 WeakPolarHBondContact O-CG2 3.37Å; I585-T589 PolarHBondContact O-OG1 3.3Å
586L41.4Very low40.9Very low139 Ų139114.6 Ų114.673%0.72863%0.63SS**THydrogen-bonded Turntrans-86.9-16.8-179.8-88.8153.6000114.2T589L586-T589 PolarHBondContact O-OG1 3.47Å
587F36.3Very low39.9Very low154 Ų154115.6 Ų115.668%0.67563%0.627SS**THydrogen-bonded Turntrans-96.1-20.5-176.9-126.5-93.1000113.5
588F41.4Very low38.6Very low113 Ų113112.6 Ų112.650%0.49662%0.615SS.*SBendtrans-94.1-10.7-179.1-111.1-92.6000114.2F584 T590F584-F588 HydrophobicContact CD1-CD2 4.42Å; F584-F588 HydrophobicContact CE1-CD2 4.15Å; F584-F588 HydrophobicContact CE1-CE2 4.12Å; F588-T590 VanDerWaalsContact C-N 3.32Å; F588-T590 PolarHBondContact O-N 2.81Å
589T40.3Very low37.5Very low94 Ų94108.8 Ų108.858%0.57760%0.599SS**THydrogen-bonded Turntrans-78.9-7.3-17842.60000114.6I585 L586I585-T589 VanDerWaalsContact O-CG2 3.3Å; I585-T589 WeakPolarHBondContact O-CG2 3.37Å; I585-T589 PolarHBondContact O-OG1 3.3Å; L586-T589 PolarHBondContact O-OG1 3.47Å
590T39.1Very low36.9Very low115 Ų115103.8 Ų103.871%0.70657%0.574SS**THydrogen-bonded Turntrans-114.81-175.741.30000115.5F588F588-T590 VanDerWaalsContact C-N 3.32Å; F588-T590 PolarHBondContact O-N 2.81Å
591L37.3Very low36.4Very low114 Ų114100.2 Ų100.260%0.59755%0.549SS*.SBendtrans-133.15.8-173-95.5146.5000115.6
592C30.3Very low36.3Very low78 Ų78102.6 Ų102.653%0.52756%0.555SS.*  trans-111.614.3-175.3-116.10000115.7I594C592-I594 VanDerWaalsContact C-N 3.32Å; C592-I594 PolarHBondContact O-N 3.35Å
593C30.3Very low35.9Very low118 Ų118105.1 Ų105.180%0.79755%0.55SS**  trans-87.319.6-179.6-66.30000115.3
594I31.1Very low35.9Very low85 Ų85100.9 Ų100.944%0.43653%0.532SS..  trans-109.979.4175.5-54.8164.2000107.5N322 E380 C592N322-I594 VanDerWaalsContact ND2-CG2 3.32Å; N322-I594 WeakPolarHBondContact ND2-CG2 3.48Å; E380-I594 WeakPolarHBondContact OE2-CD1 3.49Å; C592-I594 VanDerWaalsContact C-N 3.32Å; C592-I594 PolarHBondContact O-N 3.35Å
595W26.9Very low36.5Very low121 Ų12199.5 Ų99.546%0.45853%0.527SS..  trans-78.8123.1174.6-110.565.2000109.9C182 D183 G185 V597C182-W595 PolarHBondContact O-NE1 3.23Å; D183-W595 HydrophobicContact CB-CH2 4.43Å; D183-W595 HydrophobicContact CB-CZ2 4Å; D183-W595 WeakPolarHBondContact OD1-CH2 3.26Å; D183-W595 WeakPolarHBondContact OD1-CZ2 3.04Å; D183-W595 WeakPolarHBondContact OD1-CZ3 3.37Å; G185-W595 VanDerWaalsContact CA-CZ3 3.46Å; G185-W595 VanDerWaalsContact N-CZ3 3.27Å; W595-V597 PolarHBondContact O-N 2.57Å; W595-V597 VanDerWaalsContact O-N 3.09Å
596I26.8Very low37.2Very low106 Ų10697.3 Ų97.354%0.54452%0.516SS..  trans-68.9101.5169.1-68.2167.7000106.5L598I596-L598 PolarHBondContact O-N 2.72Å
597V28.9Very low38.1Very low69 Ų6991.7 Ų91.742%0.41849%0.491SS..  trans-71.1113.4174.4165.60000109.3E188 W595 V599E188-V597 VanDerWaalsContact OE1-CG1 3.25Å; E188-V597 WeakPolarHBondContact OE1-CG1 3.09Å; W595-V597 PolarHBondContact O-N 2.57Å; W595-V597 VanDerWaalsContact O-N 3.09Å; V597-V599 HydrophobicContact CG1-CB 3.55Å; V597-V599 HydrophobicContact CG1-CG2 3.11Å; V597-V599 PolarHBondContact O-N 2.89Å
598L25.1Very low39.4Very low109 Ų10988.9 Ų88.957%0.57148%0.482SS*.  trans-88.161.9163.9-108147.8000108F544 I596 T600F544-L598 HydrophobicContact CB-CD2 4.14Å; F544-L598 HydrophobicContact CD1-CD2 4.5Å; F544-L598 HydrophobicContact CD2-CD2 3.49Å; F544-L598 VanDerWaalsContact CD2-CD2 3.49Å; F544-L598 HydrophobicContact CE2-CD2 3.97Å; F544-L598 HydrophobicContact CG-CD2 3.8Å; I596-L598 PolarHBondContact O-N 2.72Å; L598-T600 PolarHBondContact O-N 3.13Å; L598-T600 VanDerWaalsContact O-N 3.13Å
599V30.2Very low40.8Very low71 Ų7183.9 Ų83.943%0.4346%0.461SS..  trans-63.6116.3170.4150.40000107.5V597 T601V597-V599 HydrophobicContact CG1-CB 3.55Å; V597-V599 HydrophobicContact CG1-CG2 3.11Å; V597-V599 PolarHBondContact O-N 2.89Å; V599-T601 PolarHBondContact O-N 3.24Å
600T32.4Very low42.1Very low50 Ų5086.1 Ų86.131%0.30747%0.465SS..  trans-55.1106.6155.351.40000105.6L598 V602L598-T600 PolarHBondContact O-N 3.13Å; L598-T600 VanDerWaalsContact O-N 3.13Å; T600-V602 VanDerWaalsContact C-N 3.32Å; T600-V602 WeakPolarHBondContact O-CG2 3.36Å; T600-V602 PolarHBondContact O-N 3.41Å
601T35Very low43.7Very low21 Ų2181.9 Ų81.913%0.12944%0.436CS..  trans-55.390.2-170.9230000111V599 R603 Q605 P623V599-T601 PolarHBondContact O-N 3.24Å; T601-R603 WeakPolarHBondContact CB-O 3.43Å; T601-R603 PolarHBondContact O-N 3.42Å; T601-Q605 HydrophobicContact CG2-CG 4.18Å; T601-P623 VanDerWaalsContact O-CB 3.29Å; T601-P623 WeakPolarHBondContact O-CB 3.49Å
602V43.1Very low45.3Very low126 Ų12685.3 Ų85.376%0.76446%0.455SS*.SBendtrans-61.4-13.5175.8-176.70000110.7T600T600-V602 VanDerWaalsContact C-N 3.32Å; T600-V602 WeakPolarHBondContact O-CG2 3.36Å; T600-V602 PolarHBondContact O-N 3.41Å
603R40.9Very low47.4Very low153 Ų15386.2 Ų86.258%0.57745%0.454SS*.SBendtrans-121.1128.2168.5-63.7-177.9178.31671.4109.3T601 Q605T601-R603 WeakPolarHBondContact CB-O 3.43Å; T601-R603 PolarHBondContact O-N 3.42Å; R603-Q605 PolarHBondContact O-N 2.9Å
604P49.8Very low48.9Very low49 Ų4983.3 Ų83.332%0.31845%0.445SS..PPolyproline II helixtrans-58.7131.5172.923.5-30.8000109.1F639P604-F639 HydrophobicContact CB-CE2 3.97Å; P604-F639 HydrophobicContact CG-CD2 4.45Å; P604-F639 HydrophobicContact CG-CE2 4.02Å
605Q54.2Low50.8Low85 Ų8583.4 Ų83.440%0.39744%0.44SS..PPolyproline II helixtrans-81.5124.7165.8-65.6-147.712.300108.4M548 T601 R603 A620 D621M548-Q605 HydrophobicContact CE-CB 3.72Å; M548-Q605 HydrophobicContact CE-CG 4.49Å; M548-Q605 HydrophobicContact SD-CB 3.14Å; M548-Q605 WeakPolarHBondContact SD-CB 3.17Å; M548-Q605 HydrophobicContact SD-CG 4.15Å; M548-Q605 PolarHBondContact SD-OE1 2.95Å; T601-Q605 HydrophobicContact CG2-CG 4.18Å; R603-Q605 PolarHBondContact O-N 2.9Å; Q605-A620 WeakPolarHBondContact O-CA 3.02Å; Q605-D621 PolarHBondContact O-N 3.19Å
606L61Low52.8Low74 Ų7482.5 Ų82.539%0.38744%0.441SS..EExtended strand (participates in β ladder)trans-102.3120.3177.4-163.681.4000108.5L533 A535 V619 A620L533-L606 HydrophobicContact CD2-CD2 4.42Å; A535-L606 HydrophobicContact CB-CD1 4.05Å; L606-V619 CarbonylContact C-O 3.44Å; L606-V619 WeakPolarHBondContact CA-O 3.46Å; L606-A620 HydrophobicContact CD1-CB 3.97Å
607G60.1Low54.9Low20 Ų2077.5 Ų77.521%0.20642%0.415CS..EExtended strand (participates in β ladder)trans-100.2151.5166.800000110.5V619G607-V619 PolarHBondContact N-O 3.28Å; G607-V619 PolarHBondContact O-N 3.19Å
608I64.5Low56.9Low95 Ų9575.1 Ų75.149%0.48740%0.401SS..EExtended strand (participates in β ladder)trans-118.9123.5171.5-59.6175.1000106.9E610 Q616I608-E610 HydrophobicContact CG2-CG 4.17Å; I608-Q616 HydrophobicContact CG2-CB 3.91Å; I608-Q616 HydrophobicContact CG2-CG 4.07Å
609I69.1Low59.2Low9 Ų970 Ų705%0.04638%0.375CS..EExtended strand (participates in β ladder)trans-91.2116.2169.5-57.9174.2000107F551 Y611 Q616 I617 V619 I758F551-I609 HydrophobicContact CB-CD1 4.43Å; F551-I609 HydrophobicContact CB-CG1 4.21Å; F551-I609 HydrophobicContact CD1-CD1 3.56Å; F551-I609 HydrophobicContact CD1-CG1 4.2Å; F551-I609 HydrophobicContact CE1-CD1 3.99Å; F551-I609 HydrophobicContact CG-CD1 4.06Å; F551-I609 HydrophobicContact CG-CG1 4.37Å; I609-Y611 HydrophobicContact CB-CE2 4.35Å; I609-Y611 HydrophobicContact CG2-CD2 4.4Å; I609-Y611 HydrophobicContact CG2-CE2 3.76Å; I609-Q616 WeakPolarHBondContact O-CA 3.47Å; I609-I617 HydrophobicContact CB-CB 4.47Å; I609-I617 PolarHBondContact N-O 2.73Å; I609-I617 PolarHBondContact O-N 3.29Å; I609-V619 HydrophobicContact CD1-CG2 3.63Å; I609-V619 HydrophobicContact CG1-CG2 3.96Å; I609-I758 HydrophobicContact CG2-CG2 3.86Å
610E68.1Low61.2Low141 Ų14167.2 Ų67.266%0.65936%0.359SS*.EExtended strand (participates in β ladder)trans-95.7131.6173.7-55.8-163.714400109.9I608 Q616I608-E610 HydrophobicContact CG2-CG 4.17Å; E610-Q616 HydrophobicContact CG-CG 4.22Å; E610-Q616 PolarHBondContact OE1-NE2 2.74Å
611Y73.3Confident62.9Low26 Ų2665.2 Ų65.210%0.10235%0.346CS..PPolyproline II helixtrans-100.7157.2173.7-64.2-93.2000110.5I609 D613 G614 R615 I617 I758 R762I609-Y611 HydrophobicContact CB-CE2 4.35Å; I609-Y611 HydrophobicContact CG2-CD2 4.4Å; I609-Y611 HydrophobicContact CG2-CE2 3.76Å; Y611-D613 WeakPolarHBondContact CB-OD1 3.39Å; Y611-D613 PolarHBondContact O-N 3Å; Y611-G614 PolarHBondContact O-N 2.73Å; Y611-R615 HydrophobicContact CD2-CB 4.23Å; Y611-R615 HydrophobicContact CD2-CG 4.43Å; Y611-R615 WeakPolarHBondContact CD2-O 3.45Å; Y611-R615 PolarHBondContact N-O 3.02Å; Y611-I617 HydrophobicContact CD2-CD1 4.48Å; Y611-I617 HydrophobicContact CD2-CG1 4.49Å; Y611-I617 HydrophobicContact CE2-CB 4.06Å; Y611-I617 HydrophobicContact CE2-CD1 3.43Å; Y611-I617 VanDerWaalsContact CE2-CD1 3.43Å; Y611-I617 HydrophobicContact CE2-CG1 3.65Å; Y611-I617 WeakPolarHBondContact OH-CD1 3.4Å; Y611-I758 HydrophobicContact CE1-CG2 3.63Å; Y611-I758 PolarHBondContact OH-O 3.41Å; Y611-I758 VanDerWaalsContact OH-O 3.06Å; Y611-R762 HydrophobicContact CE1-CB 3.65Å; Y611-R762 HydrophobicContact CE1-CG 4.12Å; Y611-R762 HydrophobicContact CE2-CB 4.43Å
612D70.6Confident64.3Low185 Ų18564.8 Ų64.899%0.98934%0.343SS*.THydrogen-bonded Turntrans-56.8-24.1-177.3-63.8-28.4000114.3G614D612-G614 VanDerWaalsContact C-N 3.33Å
613D73.9Confident64.9Low97 Ų9760.7 Ų60.752%0.51932%0.319SS..THydrogen-bonded Turntrans-89.74.7178.166.4-31.3000113.8Y611 R615 R762Y611-D613 WeakPolarHBondContact CB-OD1 3.39Å; Y611-D613 PolarHBondContact O-N 3Å; D613-R615 VanDerWaalsContact C-N 3.32Å; D613-R762 VanDerWaalsContact CG-NH1 3.29Å; D613-R762 IonicContact OD1-CZ 3.04Å; D613-R762 IonicContact OD1-NH1 3.02Å; D613-R762 PolarHBondContact OD1-NH1 3.07Å; D613-R762 IonicContact OD1-NH2 3.79Å; D613-R762 IonicContact OD2-CZ 2.85Å; D613-R762 VanDerWaalsContact OD2-CZ 3.31Å; D613-R762 IonicContact OD2-NH1 3.73Å; D613-R762 PolarHBondContact OD2-NH1 3.04Å; D613-R762 IonicContact OD2-NH2 2.61Å; D613-R762 PolarHBondContact OD2-NH2 3.12Å
614G62Low65.4Low58 Ų5853.9 Ų53.960%0.59830%0.297SS*.SBendtrans823.4179.800000114.7Y611 D612Y611-G614 PolarHBondContact O-N 2.73Å; D612-G614 VanDerWaalsContact C-N 3.33Å
615R71.8Confident65.6Low86 Ų8652.3 Ų52.333%0.32529%0.286SS..  trans-64137.6168.4-173.564162.4162.5-0.9108.3Y611 D613 D766 D769Y611-R615 HydrophobicContact CD2-CB 4.23Å; Y611-R615 HydrophobicContact CD2-CG 4.43Å; Y611-R615 WeakPolarHBondContact CD2-O 3.45Å; Y611-R615 PolarHBondContact N-O 3.02Å; D613-R615 VanDerWaalsContact C-N 3.32Å; R615-D766 IonicContact NE-OD1 3Å; R615-D766 IonicContact NH2-OD1 2.7Å; R615-D766 PolarHBondContact NH2-OD1 3.31Å; R615-D769 IonicContact NH2-OD2 2.78Å; R615-D769 PolarHBondContact NH2-OD2 3.31Å
616Q68.3Low65.4Low103 Ų10350.8 Ų50.848%0.48128%0.28SS..EExtended strand (participates in β ladder)trans-120.4133.7176.7-68.8-176.4-20.600109I608 I609 E610I608-Q616 HydrophobicContact CG2-CB 3.91Å; I608-Q616 HydrophobicContact CG2-CG 4.07Å; I609-Q616 WeakPolarHBondContact O-CA 3.47Å; E610-Q616 HydrophobicContact CG-CG 4.22Å; E610-Q616 PolarHBondContact OE1-NE2 2.74Å
617I71.3Confident64.9Low1 Ų149.9 Ų49.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-120.1124.1174.7-66.7180000108.2D536 V537 I609 Y611 R762 I765D536-I617 HydrophobicContact CB-CG2 3.91Å; V537-I617 HydrophobicContact CG2-CG2 4.08Å; I609-I617 HydrophobicContact CB-CB 4.47Å; I609-I617 PolarHBondContact N-O 2.73Å; I609-I617 PolarHBondContact O-N 3.29Å; Y611-I617 HydrophobicContact CD2-CD1 4.48Å; Y611-I617 HydrophobicContact CD2-CG1 4.49Å; Y611-I617 HydrophobicContact CE2-CB 4.06Å; Y611-I617 HydrophobicContact CE2-CD1 3.43Å; Y611-I617 VanDerWaalsContact CE2-CD1 3.43Å; Y611-I617 HydrophobicContact CE2-CG1 3.65Å; Y611-I617 WeakPolarHBondContact OH-CD1 3.4Å; I617-R762 HydrophobicContact CD1-CB 4.15Å; I617-I765 HydrophobicContact CD1-CB 4.45Å; I617-I765 HydrophobicContact CD1-CD1 3.73Å; I617-I765 HydrophobicContact CG1-CD1 4.27Å; I617-I765 HydrophobicContact CG2-CD1 3.49Å; I617-I765 VanDerWaalsContact CG2-CD1 3.49Å
618S69.6Low64.5Low18 Ų1849.9 Ų49.913%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-88.3133.8179.960.50000111.2I534 A535 D536 V537I534-S618 PolarHBondContact O-OG 3.06Å; A535-S618 VanDerWaalsContact CA-OG 3.32Å; A535-S618 WeakPolarHBondContact CA-OG 3.36Å; D536-S618 WeakPolarHBondContact CB-O 3.45Å; D536-S618 PolarHBondContact N-O 3.37Å; D536-S618 PolarHBondContact N-OG 2.83Å; D536-S618 PolarHBondContact OD2-N 3.21Å; D536-S618 PolarHBondContact OD2-OG 3.37Å; V537-S618 PolarHBondContact N-O 3.15Å
619V74.6Confident63.8Low3 Ų346.1 Ų46.12%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-123.2122.4-178.5-176.10000107.8V537 L539 L606 G607 I609V537-V619 HydrophobicContact CB-CG1 4.31Å; V537-V619 HydrophobicContact CB-CG2 4.19Å; V537-V619 HydrophobicContact CG1-CG1 4.46Å; V537-V619 CarbonylContact O-C 3.55Å; V537-V619 WeakPolarHBondContact O-CA 3.42Å; L539-V619 HydrophobicContact CD1-CG1 3.6Å; L539-V619 HydrophobicContact CD2-CG1 3.6Å; L539-V619 HydrophobicContact CG-CG1 3.44Å; L539-V619 VanDerWaalsContact CG-CG1 3.44Å; L606-V619 CarbonylContact C-O 3.44Å; L606-V619 WeakPolarHBondContact CA-O 3.46Å; G607-V619 PolarHBondContact N-O 3.28Å; G607-V619 PolarHBondContact O-N 3.19Å; I609-V619 HydrophobicContact CD1-CG2 3.63Å; I609-V619 HydrophobicContact CG1-CG2 3.96Å
620A70.7Confident63Low11 Ų1150 Ų509%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-109.2134.3174.600000110.8A535 V537 L539 Q605 L606 L622A535-A620 HydrophobicContact CB-CB 3.32Å; V537-A620 PolarHBondContact O-N 3.36Å; L539-A620 PolarHBondContact N-O 3.15Å; Q605-A620 WeakPolarHBondContact O-CA 3.02Å; L606-A620 HydrophobicContact CD1-CB 3.97Å; A620-L622 PolarHBondContact O-N 3.31Å
621D68.3Low62.1Low9 Ų948.6 Ų48.65%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-71.6122.2165.2-170.924.3000110.4R547 Q605 P623R547-D621 WeakPolarHBondContact CD-OD1 3.29Å; R547-D621 IonicContact CZ-OD1 3.73Å; R547-D621 IonicContact NE-OD1 3.25Å; R547-D621 IonicContact NH1-OD1 2.7Å; R547-D621 PolarHBondContact NH1-OD1 3.33Å; Q605-D621 PolarHBondContact O-N 3.19Å; D621-P623 WeakPolarHBondContact O-CD 3.18Å
622L64.6Low61Low12 Ų1250.6 Ų50.66%0.06328%0.281CS..PPolyproline II helixtrans-78.8116.7172.5-57.6-177.8000108.2L539 V540 R547 A620 G624 F639 V643 L649L539-L622 WeakPolarHBondContact O-CB 3.42Å; L539-L622 WeakPolarHBondContact O-CG 3.4Å; L539-L622 PolarHBondContact O-N 3.23Å; V540-L622 HydrophobicContact CG2-CD1 3.7Å; R547-L622 PolarHBondContact NH1-O 3.01Å; A620-L622 PolarHBondContact O-N 3.31Å; L622-G624 PolarHBondContact O-N 3.47Å; L622-F639 HydrophobicContact CD2-CE1 4.37Å; L622-F639 HydrophobicContact CD2-CZ 3.89Å; L622-V643 HydrophobicContact CD1-CG1 3.7Å; L622-V643 HydrophobicContact CD2-CB 4.17Å; L622-V643 HydrophobicContact CD2-CG1 3.92Å; L622-V643 HydrophobicContact CD2-CG2 3.37Å; L622-V643 HydrophobicContact CG-CG1 4.5Å; L622-L649 HydrophobicContact CD1-CD2 3.98Å
623P55.6Low59.6Low39 Ų3945 Ų4525%0.25325%0.252SS..PPolyproline II helixtrans-61123.4-178.327.8-31.3000109.8T601 D621 L625 F639T601-P623 VanDerWaalsContact O-CB 3.29Å; T601-P623 WeakPolarHBondContact O-CB 3.49Å; D621-P623 WeakPolarHBondContact O-CD 3.18Å; P623-L625 PolarHBondContact O-N 3.24Å; P623-F639 VanDerWaalsContact CD-CE2 3.44Å; P623-F639 HydrophobicContact CG-CD1 3.79Å; P623-F639 HydrophobicContact CG-CD2 4.03Å; P623-F639 HydrophobicContact CG-CE1 3.41Å; P623-F639 VanDerWaalsContact CG-CE1 3.41Å; P623-F639 HydrophobicContact CG-CE2 3.67Å; P623-F639 HydrophobicContact CG-CG 4.13Å; P623-F639 HydrophobicContact CG-CZ 3.41Å; P623-F639 VanDerWaalsContact CG-CZ 3.41Å
624G52.2Low58.1Low11 Ų1142.4 Ų42.411%0.11325%0.249CC..  trans5057.9154.400000117.3L622 I626 A629L622-G624 PolarHBondContact O-N 3.47Å; G624-I626 PolarHBondContact O-N 3.09Å; G624-A629 WeakPolarHBondContact O-CB 3.31Å
625L53.4Low56.9Low16 Ų1646.4 Ų46.48%0.08425%0.254CS..  trans-72.674.3154.1-71.7161.6000108.6V540 P623 L676 E679 I680V540-L625 HydrophobicContact CB-CD1 4.29Å; V540-L625 HydrophobicContact CG1-CD1 3.52Å; V540-L625 HydrophobicContact CG2-CD1 3.99Å; P623-L625 PolarHBondContact O-N 3.24Å; L625-L676 HydrophobicContact CB-CD2 3.77Å; L625-L676 VanDerWaalsContact O-CD2 3.28Å; L625-L676 WeakPolarHBondContact O-CD2 3.35Å; L625-E679 HydrophobicContact CD2-CB 3.76Å; L625-I680 HydrophobicContact CD1-CD1 4.01Å; L625-I680 HydrophobicContact CD1-CG1 3.64Å; L625-I680 HydrophobicContact CD2-CG1 4.15Å
626I51.2Low55.5Low53 Ų5342.7 Ų42.727%0.27224%0.243SC..  trans-95.8160166.654174000108.6F544 G624 G628 A629 L660F544-I626 HydrophobicContact CZ-CG2 4.14Å; G624-I626 PolarHBondContact O-N 3.09Å; I626-G628 PolarHBondContact O-N 3.19Å; I626-G628 VanDerWaalsContact O-N 3.09Å; I626-A629 HydrophobicContact CG1-CB 4.21Å; I626-A629 WeakPolarHBondContact O-CB 3.32Å; I626-A629 PolarHBondContact O-N 3.37Å; I626-L660 HydrophobicContact CB-CD1 4.17Å; I626-L660 HydrophobicContact CG2-CD1 4.16Å
627E49.5Very low54.4Low54 Ų5444.7 Ų44.725%0.25225%0.252SS..THydrogen-bonded Turntrans-49.9120.3173.1-96.5169.4-178.400109.8L660 R667 L675E627-L660 HydrophobicContact CB-CD2 4.23Å; E627-R667 IonicContact OE1-NE 3.73Å; E627-R667 PolarHBondContact OE1-NE 3.35Å; E627-R667 IonicContact OE1-NH2 3.84Å; E627-L675 HydrophobicContact CG-CD1 3.41Å; E627-L675 VanDerWaalsContact CG-CD1 3.41Å; E627-L675 HydrophobicContact CG-CD2 3.58Å; E627-L675 HydrophobicContact CG-CG 4.01Å
628G51.4Low53Low21 Ų2150.3 Ų50.322%0.21628%0.282CS..THydrogen-bonded Turntrans89.26.7-177.100000115.5I626 Y630 L631 E679I626-G628 PolarHBondContact O-N 3.19Å; I626-G628 VanDerWaalsContact O-N 3.09Å; G628-Y630 VanDerWaalsContact C-N 3.25Å; G628-Y630 PolarHBondContact O-N 3.28Å; G628-L631 WeakPolarHBondContact O-CB 3.07Å; G628-L631 PolarHBondContact O-N 3.1Å; G628-L631 VanDerWaalsContact O-N 3.13Å; G628-E679 PolarHBondContact N-OE1 3.44Å
629A49.9Very low51.9Low16 Ų1651.3 Ų51.313%0.13228%0.284CS..G310 helixtrans-63.6-29.1179.100000113.7G624 I626 L631 N632 E679G624-A629 WeakPolarHBondContact O-CB 3.31Å; I626-A629 HydrophobicContact CG1-CB 4.21Å; I626-A629 WeakPolarHBondContact O-CB 3.32Å; I626-A629 PolarHBondContact O-N 3.37Å; A629-L631 PolarHBondContact O-N 2.7Å; A629-N632 PolarHBondContact O-N 3.46Å; A629-E679 PolarHBondContact N-OE2 2.79Å
630Y53Low50.8Low89 Ų8952.1 Ų52.135%0.34929%0.288SS..G310 helixtrans-61.3-19.817477.5-86.6000113.9G628 N632 E679 L682G628-Y630 VanDerWaalsContact C-N 3.25Å; G628-Y630 PolarHBondContact O-N 3.28Å; Y630-N632 PolarHBondContact O-N 3.16Å; Y630-E679 WeakPolarHBondContact CD1-OE2 3.49Å; Y630-E679 PolarHBondContact N-OE2 3.32Å; Y630-E679 VanDerWaalsContact N-OE2 3.14Å; Y630-L682 HydrophobicContact CD1-CB 4.11Å; Y630-L682 HydrophobicContact CD1-CD1 3.64Å; Y630-L682 HydrophobicContact CD2-CB 3.88Å; Y630-L682 HydrophobicContact CD2-CD1 4.3Å; Y630-L682 HydrophobicContact CE1-CD1 3.63Å; Y630-L682 HydrophobicContact CE2-CD1 4.29Å; Y630-L682 HydrophobicContact CG-CB 3.62Å; Y630-L682 HydrophobicContact CG-CD1 3.98Å; Y630-L682 HydrophobicContact CG-CG 4.43Å
631L49.2Very low49.8Very low112 Ų11256 Ų5659%0.58630%0.303SS*.G310 helixtrans-7117.1178.1-66.4161.2000113.6G628 A629 V633G628-L631 WeakPolarHBondContact O-CB 3.07Å; G628-L631 PolarHBondContact O-N 3.1Å; G628-L631 VanDerWaalsContact O-N 3.13Å; A629-L631 PolarHBondContact O-N 2.7Å; L631-V633 PolarHBondContact O-N 3.26Å
632N49.4Very low49.2Very low69 Ų6957.7 Ų57.737%0.36931%0.31SS..THydrogen-bonded Turntrans56.448.3175.6-85.5-47.7000113.7K199 A629 Y630 G634K199-N632 WeakPolarHBondContact CD-O 3.36Å; K199-N632 WeakPolarHBondContact CE-O 3.21Å; K199-N632 PolarHBondContact NZ-O 3.15Å; A629-N632 PolarHBondContact O-N 3.46Å; Y630-N632 PolarHBondContact O-N 3.16Å; N632-G634 PolarHBondContact O-N 3.12Å
633V41.9Very low49Very low66 Ų6657.4 Ų57.440%0.431%0.309SS..  trans-74.650.6174.8-159.70000112.3M196 L631M196-V633 HydrophobicContact CE-CG1 3.88Å; M196-V633 HydrophobicContact CE-CG2 4.15Å; M196-V633 HydrophobicContact CG-CG1 4.02Å; L631-V633 PolarHBondContact O-N 3.26Å
634G41.3Very low49.3Very low44 Ų4459.5 Ų59.545%0.45432%0.316SS..SBendtrans160.6-177177.300000113.2N632 G636N632-G634 PolarHBondContact O-N 3.12Å; G634-G636 PolarHBondContact O-N 3.47Å
635M38.4Very low49.8Very low141 Ų14160.5 Ų60.570%0.69532%0.316SS*.  trans-65.968.4177.9-76.1-167.2-105.800112.6F639M635-F639 WeakPolarHBondContact O-CB 3.4Å
636G42Very low50.8Low9 Ų960.1 Ų60.19%0.09331%0.314CS..Hα-helixtrans-62.3-57.1-175.100000112.7G634 N638 F639 L640G634-G636 PolarHBondContact O-N 3.47Å; G636-N638 VanDerWaalsContact C-N 3.28Å; G636-N638 PolarHBondContact O-N 3.35Å; G636-F639 PolarHBondContact O-N 3.35Å; G636-L640 VanDerWaalsContact C-CD1 3.46Å; G636-L640 VanDerWaalsContact O-CD1 3.23Å; G636-L640 WeakPolarHBondContact O-CD1 3.42Å; G636-L640 WeakPolarHBondContact O-CG 3.49Å; G636-L640 PolarHBondContact O-N 3.46Å
637H44Very low52.1Low145 Ų14559.3 Ų59.367%0.67131%0.308SS*.Hα-helixtrans-60.1-25.6-168.8-76.9-6.2000117.1
638N42.5Very low53.9Low119 Ų11956.8 Ų56.864%0.63630%0.296SS*.Hα-helixtrans-86.1-35173.5-73.3-27.4000112.6G636 L640 H642G636-N638 VanDerWaalsContact C-N 3.28Å; G636-N638 PolarHBondContact O-N 3.35Å; N638-L640 VanDerWaalsContact C-N 3.31Å; N638-H642 PolarHBondContact O-CE1 2.92Å; N638-H642 PolarHBondContact O-ND1 2.87Å
639F47.1Very low55.6Low39 Ų3956 Ų5617%0.17129%0.287CS..Hα-helixtrans-65.7-36.9177.9175.5-100.7000111.5P604 L622 P623 M635 G636 H642 V643P604-F639 HydrophobicContact CB-CE2 3.97Å; P604-F639 HydrophobicContact CG-CD2 4.45Å; P604-F639 HydrophobicContact CG-CE2 4.02Å; L622-F639 HydrophobicContact CD2-CE1 4.37Å; L622-F639 HydrophobicContact CD2-CZ 3.89Å; P623-F639 VanDerWaalsContact CD-CE2 3.44Å; P623-F639 HydrophobicContact CG-CD1 3.79Å; P623-F639 HydrophobicContact CG-CD2 4.03Å; P623-F639 HydrophobicContact CG-CE1 3.41Å; P623-F639 VanDerWaalsContact CG-CE1 3.41Å; P623-F639 HydrophobicContact CG-CE2 3.67Å; P623-F639 HydrophobicContact CG-CG 4.13Å; P623-F639 HydrophobicContact CG-CZ 3.41Å; P623-F639 VanDerWaalsContact CG-CZ 3.41Å; M635-F639 WeakPolarHBondContact O-CB 3.4Å; G636-F639 PolarHBondContact O-N 3.35Å; F639-H642 VanDerWaalsContact O-CB 3.27Å; F639-H642 WeakPolarHBondContact O-CB 3.43Å; F639-H642 PolarHBondContact O-N 2.84Å; F639-H642 PolarHBondContact O-ND1 3.45Å; F639-V643 HydrophobicContact CD1-CG2 4.31Å; F639-V643 HydrophobicContact CE1-CG2 3.51Å; F639-V643 HydrophobicContact CZ-CG2 3.8Å
640L51.2Low57.4Low20 Ų2055.3 Ų55.311%0.10528%0.281CS..Hα-helixtrans-77.8-26.9-169.1-65.3162.3000118G636 N638 H642 V643 E644 Y683G636-L640 VanDerWaalsContact C-CD1 3.46Å; G636-L640 VanDerWaalsContact O-CD1 3.23Å; G636-L640 WeakPolarHBondContact O-CD1 3.42Å; G636-L640 WeakPolarHBondContact O-CG 3.49Å; G636-L640 PolarHBondContact O-N 3.46Å; N638-L640 VanDerWaalsContact C-N 3.31Å; L640-H642 PolarHBondContact O-N 3.35Å; L640-V643 HydrophobicContact CD2-CG2 4.22Å; L640-V643 PolarHBondContact O-N 2.89Å; L640-E644 PolarHBondContact O-N 2.98Å; L640-Y683 HydrophobicContact CB-CE1 4.34Å; L640-Y683 HydrophobicContact CD1-CD1 4.36Å; L640-Y683 HydrophobicContact CD1-CE1 3.12Å; L640-Y683 WeakPolarHBondContact CD1-OH 3.47Å; L640-Y683 HydrophobicContact CD2-CD1 3.7Å; L640-Y683 HydrophobicContact CD2-CE1 2.81Å; L640-Y683 HydrophobicContact CD2-CE2 4.26Å; L640-Y683 WeakPolarHBondContact CD2-OH 3.39Å; L640-Y683 HydrophobicContact CG-CD1 4.42Å; L640-Y683 HydrophobicContact CG-CE1 3.25Å; L640-Y683 VanDerWaalsContact CG-CZ 3.46Å; L640-Y683 WeakPolarHBondContact CG-OH 3.47Å
641K50.5Low59.1Low91 Ų9151.2 Ų51.240%0.39627%0.265SS..Hα-helixtrans-62.5-12.1170.7-64.9-173.2-179.8-174.90112.1R645K641-R645 WeakPolarHBondContact O-CG 3.07Å; K641-R645 PolarHBondContact O-NH1 2.92Å
642H53.7Low60.9Low45 Ų4546 Ų4621%0.20824%0.238CC..Hα-helixtrans-84.6-40.8171.1-51.7102.3000111.2L533 N638 F639 L640 R645 T646L533-H642 PolarHBondContact N-CD2 2.81Å; L533-H642 VanDerWaalsContact N-CD2 3.33Å; L533-H642 PolarHBondContact N-NE2 3.49Å; L533-H642 PolarHBondContact O-CD2 3.23Å; N638-H642 PolarHBondContact O-CE1 2.92Å; N638-H642 PolarHBondContact O-ND1 2.87Å; F639-H642 VanDerWaalsContact O-CB 3.27Å; F639-H642 WeakPolarHBondContact O-CB 3.43Å; F639-H642 PolarHBondContact O-N 2.84Å; F639-H642 PolarHBondContact O-ND1 3.45Å; L640-H642 PolarHBondContact O-N 3.35Å; H642-R645 PolarHBondContact O-N 3.38Å; H642-R645 VanDerWaalsContact O-N 3.11Å; H642-T646 PolarHBondContact O-N 3.3Å
643V60.9Low62.7Low6 Ų642.7 Ų42.74%0.03622%0.22CC..Hα-helixtrans-67.1-37.3176.1-165.90000111.3L622 F639 L640 R645 T646 L687 K690L622-V643 HydrophobicContact CD1-CG1 3.7Å; L622-V643 HydrophobicContact CD2-CB 4.17Å; L622-V643 HydrophobicContact CD2-CG1 3.92Å; L622-V643 HydrophobicContact CD2-CG2 3.37Å; L622-V643 HydrophobicContact CG-CG1 4.5Å; F639-V643 HydrophobicContact CD1-CG2 4.31Å; F639-V643 HydrophobicContact CE1-CG2 3.51Å; F639-V643 HydrophobicContact CZ-CG2 3.8Å; L640-V643 HydrophobicContact CD2-CG2 4.22Å; L640-V643 PolarHBondContact O-N 2.89Å; V643-R645 PolarHBondContact O-N 3.03Å; V643-R645 VanDerWaalsContact O-N 3.11Å; V643-T646 PolarHBondContact O-N 3.3Å; V643-T646 PolarHBondContact O-OG1 3.17Å; V643-L687 HydrophobicContact CB-CD1 4.49Å; V643-L687 HydrophobicContact CG1-CD1 3.71Å; V643-L687 HydrophobicContact CG1-CD2 3.9Å; V643-L687 HydrophobicContact CG1-CG 4.49Å; V643-K690 PolarHBondContact O-NZ 3.49Å
644E62.8Low64.8Low83 Ų8340.3 Ų40.339%0.38821%0.205SC..THydrogen-bonded Turntrans-54.4-26.2170.9-84.7170-163.400113.3L640 M684 K690L640-E644 PolarHBondContact O-N 2.98Å; E644-M684 HydrophobicContact CB-CE 4.4Å; E644-M684 HydrophobicContact CG-CE 3.31Å; E644-M684 HydrophobicContact CG-SD 3.51Å; E644-M684 VanDerWaalsContact CG-SD 3.51Å; E644-M684 VanDerWaalsContact OE1-SD 3.4Å; E644-K690 WeakPolarHBondContact O-CE 3.21Å; E644-K690 PolarHBondContact O-NZ 2.94Å
645R63.2Low67.1Low33 Ų3338.3 Ų38.313%0.12518%0.184CC..THydrogen-bonded Turntrans-104.9-2.8-173.1-62-172.7-167.4133-28.4115T483 D494 Y496 K532 I534 K641 H642 V643T483-R645 PolarHBondContact OG1-NH2 3.07Å; D494-R645 IonicContact OD1-NH2 2.64Å; D494-R645 IonicContact OD2-NH2 3.63Å; Y496-R645 VanDerWaalsContact CE1-CD 3.42Å; Y496-R645 VanDerWaalsContact OH-CZ 3.27Å; Y496-R645 PolarHBondContact OH-NE 3.35Å; Y496-R645 PolarHBondContact OH-NH2 3.33Å; K532-R645 VanDerWaalsContact NZ-NH2 3.16Å; I534-R645 HydrophobicContact CG2-CB 4.26Å; K641-R645 WeakPolarHBondContact O-CG 3.07Å; K641-R645 PolarHBondContact O-NH1 2.92Å; H642-R645 PolarHBondContact O-N 3.38Å; H642-R645 VanDerWaalsContact O-N 3.11Å; V643-R645 PolarHBondContact O-N 3.03Å; V643-R645 VanDerWaalsContact O-N 3.11Å
646T74.2Confident69.2Low7 Ų734.3 Ų34.34%0.04317%0.168CC..  trans-61.5142.1169.461.40000111A535 H642 V643 K690A535-T646 HydrophobicContact CB-CG2 4.33Å; A535-T646 VanDerWaalsContact O-CA 3.24Å; A535-T646 WeakPolarHBondContact O-CA 3.3Å; A535-T646 WeakPolarHBondContact O-CG2 3.48Å; H642-T646 PolarHBondContact O-N 3.3Å; V643-T646 PolarHBondContact O-N 3.3Å; V643-T646 PolarHBondContact O-OG1 3.17Å; T646-K690 WeakPolarHBondContact O-CE 3.37Å; T646-K690 PolarHBondContact O-NZ 3.45Å; T646-K690 PolarHBondContact OG1-NZ 3.18Å; T646-K690 VanDerWaalsContact OG1-NZ 3.07Å
647Y78.8Confident71.2Confident37 Ų3734.2 Ų34.215%0.14517%0.167CC..SBendtrans-76.6-34.4174.6-66.4-67.6000111.5D536 K772D536-Y647 HydrophobicContact CB-CD2 4.01Å; D536-Y647 PolarHBondContact O-N 3.09Å; D536-Y647 VanDerWaalsContact OD1-CE2 3.28Å; D536-Y647 WeakPolarHBondContact OD1-CE2 3.45Å; Y647-K772 HydrophobicContact CE1-CD 4.04Å
648L85.8Confident72.7Confident0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-145.7145.8-170.1-176.2145.3000111.6D536 V537 G538 L650 P691 V693 L761D536-L648 PolarHBondContact O-N 3Å; V537-L648 WeakPolarHBondContact CA-O 3.38Å; V537-L648 HydrophobicContact CG1-CD2 4.15Å; G538-L648 PolarHBondContact N-O 3Å; L648-L650 HydrophobicContact CD2-CB 4.48Å; L648-P691 WeakPolarHBondContact CA-O 3.44Å; L648-P691 HydrophobicContact CD1-CB 4.19Å; L648-P691 HydrophobicContact CG-CB 4.34Å; L648-V693 HydrophobicContact CD1-CG2 4.04Å; L648-V693 HydrophobicContact CD2-CB 4.41Å; L648-V693 HydrophobicContact CD2-CG2 4.15Å; L648-L761 HydrophobicContact CD2-CD2 3.7Å
649L87.7Confident74.1Confident5 Ų528.2 Ų28.23%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-102.6131172.4-62178000110.7G538 V540 L622 F651 I680 K690 P691 C692 V693G538-L649 WeakPolarHBondContact O-CA 3.35Å; V540-L649 HydrophobicContact CG2-CD2 4.49Å; L622-L649 HydrophobicContact CD1-CD2 3.98Å; L649-F651 HydrophobicContact CB-CE2 4.21Å; L649-I680 HydrophobicContact CD1-CD1 4.41Å; L649-K690 HydrophobicContact CD1-CB 4.38Å; L649-K690 HydrophobicContact CG-CB 4.34Å; L649-K690 HydrophobicContact CG-CD 4.48Å; L649-P691 PolarHBondContact N-O 3.3Å; L649-C692 HydrophobicContact CB-CB 4.19Å; L649-C692 CarbonylContact O-C 3.57Å; L649-C692 WeakPolarHBondContact O-CA 3.47Å; L649-V693 PolarHBondContact O-N 3Å
650L88.1Confident74.9Confident1 Ų129.6 Ų29.61%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-113.1108.9176.9-176.867000109.9V537 G538 L539 V540 F551 L648 V693 L761V537-L650 HydrophobicContact CG1-CB 3.77Å; G538-L650 PolarHBondContact O-N 2.95Å; L539-L650 WeakPolarHBondContact CA-O 3.49Å; L539-L650 HydrophobicContact CD2-CB 3.97Å; L539-L650 HydrophobicContact CD2-CD2 3.62Å; L539-L650 HydrophobicContact CD2-CG 4.16Å; V540-L650 PolarHBondContact N-O 3.46Å; F551-L650 HydrophobicContact CE2-CD2 4.07Å; F551-L650 HydrophobicContact CZ-CD2 3.67Å; L648-L650 HydrophobicContact CD2-CB 4.48Å; L650-V693 WeakPolarHBondContact CA-O 3.3Å; L650-V693 HydrophobicContact CD1-CB 3.68Å; L650-V693 HydrophobicContact CD1-CG1 3.61Å; L650-L761 HydrophobicContact CD1-CD2 4.47Å; L650-L761 HydrophobicContact CD2-CD1 4.23Å
651F88.1Confident75.3Confident4 Ų432.6 Ų32.62%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-83.7123.7177-72.4-100.1000110.5V540 L649 I653 F673 L676 I680 C692 V693 V694 C695V540-F651 HydrophobicContact CB-CD1 3.93Å; V540-F651 HydrophobicContact CB-CE1 4.1Å; V540-F651 HydrophobicContact CB-CG 4.26Å; V540-F651 HydrophobicContact CG1-CD1 3.56Å; V540-F651 HydrophobicContact CG1-CE1 3.53Å; V540-F651 HydrophobicContact CG1-CG 4.38Å; V540-F651 HydrophobicContact CG1-CZ 4.31Å; V540-F651 CarbonylContact O-C 3.55Å; V540-F651 VanDerWaalsContact O-CA 3.26Å; V540-F651 WeakPolarHBondContact O-CA 3.48Å; L649-F651 HydrophobicContact CB-CE2 4.21Å; F651-I653 HydrophobicContact CB-CD1 4.41Å; F651-F673 HydrophobicContact CD1-CD2 4.05Å; F651-F673 HydrophobicContact CD1-CE2 4.13Å; F651-F673 HydrophobicContact CD2-CE2 4.37Å; F651-F673 HydrophobicContact CE1-CD2 4.39Å; F651-F673 HydrophobicContact CE1-CE2 4.27Å; F651-F673 HydrophobicContact CG-CD2 4.37Å; F651-F673 HydrophobicContact CG-CE2 4.17Å; F651-F673 HydrophobicContact CZ-CE2 4.46Å; F651-L676 HydrophobicContact CD1-CB 4.27Å; F651-L676 HydrophobicContact CD1-CD1 4.32Å; F651-L676 HydrophobicContact CE1-CB 3.94Å; F651-I680 HydrophobicContact CE1-CD1 3.8Å; F651-I680 HydrophobicContact CZ-CD1 3.48Å; F651-I680 VanDerWaalsContact CZ-CD1 3.48Å; F651-C692 HydrophobicContact CD2-CB 4.07Å; F651-C692 HydrophobicContact CE2-CB 3.81Å; F651-V693 PolarHBondContact N-O 3.47Å; F651-V694 HydrophobicContact CB-CG2 4.09Å; F651-C695 PolarHBondContact O-N 2.94Å
652I86.5Confident75.8Confident2 Ų234.8 Ų34.81%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-112108174-59.5175.4000107.9L539 V540 G541 R547 C695 N697L539-I652 HydrophobicContact CD2-CD1 4.12Å; V540-I652 PolarHBondContact O-N 3.42Å; G541-I652 WeakPolarHBondContact CA-O 3.46Å; R547-I652 HydrophobicContact CB-CD1 4.31Å; R547-I652 HydrophobicContact CG-CD1 4.37Å; I652-C695 WeakPolarHBondContact CA-O 3.06Å; I652-C695 HydrophobicContact CG1-CB 4.45Å; I652-N697 HydrophobicContact CG2-CB 4.14Å
653I87.7Confident75.8Confident0 Ų037.3 Ų37.30%021%0.207CC..EExtended strand (participates in β ladder)trans-115.8133.2-174.3-62.6159.1000109.5F651 I655 A669 F673 L676 V694 C695 L696 N697F651-I653 HydrophobicContact CB-CD1 4.41Å; I653-I655 PolarHBondContact O-N 2.83Å; I653-A669 HydrophobicContact CG2-CB 3.94Å; I653-F673 HydrophobicContact CD1-CB 3.61Å; I653-F673 HydrophobicContact CD1-CD2 3.75Å; I653-F673 HydrophobicContact CD1-CG 4.01Å; I653-L676 HydrophobicContact CG1-CD1 4.47Å; I653-V694 HydrophobicContact CD1-CG1 3.86Å; I653-C695 PolarHBondContact N-O 3.21Å; I653-L696 HydrophobicContact CB-CD2 4.16Å; I653-L696 HydrophobicContact CD1-CD2 4.46Å; I653-L696 HydrophobicContact CG2-CD2 4.38Å; I653-N697 PolarHBondContact O-N 3.22Å
654D86.8Confident76Confident16 Ų1637.6 Ų37.69%0.08621%0.209CC..EExtended strand (participates in β ladder)trans-70.3122.1170.5-170.2-24.4000110.6T656 G657 A669 K698D654-T656 PolarHBondContact O-N 3.47Å; D654-T656 WeakPolarHBondContact OD1-CB 3.32Å; D654-T656 PolarHBondContact OD1-N 3.4Å; D654-T656 PolarHBondContact OD1-OG1 3.19Å; D654-T656 PolarHBondContact OD2-OG1 3.33Å; D654-G657 PolarHBondContact O-N 2.95Å; D654-A669 WeakPolarHBondContact O-CB 3.49Å; D654-K698 VanDerWaalsContact OD2-CD 3.3Å; D654-K698 WeakPolarHBondContact OD2-CD 3.36Å; D654-K698 WeakPolarHBondContact OD2-CE 2.98Å; D654-K698 IonicContact OD2-NZ 3.59Å; D654-K698 PolarHBondContact OD2-NZ 2.9Å
655I88.1Confident76.6Confident2 Ų236.8 Ų36.81%0.0121%0.212CC..THydrogen-bonded Turntrans-63.1-24179-162.659.7000113.1I653 G657 A669 L696 N697 K698 M699 C707 F708I653-I655 PolarHBondContact O-N 2.83Å; I655-G657 VanDerWaalsContact C-N 3.29Å; I655-G657 PolarHBondContact O-N 3.24Å; I655-A669 HydrophobicContact CD1-CB 4.48Å; I655-L696 HydrophobicContact CD1-CB 4.26Å; I655-L696 HydrophobicContact CD1-CD1 4Å; I655-N697 VanDerWaalsContact CB-O 3.31Å; I655-N697 WeakPolarHBondContact CB-O 2.99Å; I655-N697 VanDerWaalsContact CG2-O 3.27Å; I655-N697 WeakPolarHBondContact CG2-O 3.3Å; I655-N697 PolarHBondContact N-O 2.97Å; I655-N697 VanDerWaalsContact N-O 3.12Å; I655-K698 HydrophobicContact CG2-CB 4.28Å; I655-K698 WeakPolarHBondContact CG2-O 3.49Å; I655-M699 HydrophobicContact CG1-SD 4.1Å; I655-C707 HydrophobicContact CD1-CB 4.39Å; I655-C707 HydrophobicContact CG1-CB 3.89Å; I655-C707 VanDerWaalsContact O-CB 3.29Å; I655-C707 WeakPolarHBondContact O-CB 3.46Å; I655-F708 HydrophobicContact CD1-CB 4.17Å; I655-F708 HydrophobicContact CD1-CD2 4.48Å; I655-F708 HydrophobicContact CG1-CB 4.49Å
656T84.3Confident77.5Confident57 Ų5741.2 Ų41.235%0.3523%0.232SC..THydrogen-bonded Turntrans-82.1-5.6-178.765.40000113.5D654 F666 M701D654-T656 PolarHBondContact O-N 3.47Å; D654-T656 WeakPolarHBondContact OD1-CB 3.32Å; D654-T656 PolarHBondContact OD1-N 3.4Å; D654-T656 PolarHBondContact OD1-OG1 3.19Å; D654-T656 PolarHBondContact OD2-OG1 3.33Å; T656-F666 WeakPolarHBondContact O-CZ 3.38Å; T656-M701 HydrophobicContact CG2-CB 4.08Å; T656-M701 HydrophobicContact CG2-CG 3.97Å
657G82.3Confident77.9Confident7 Ų741.8 Ų41.87%0.07223%0.233CC..  trans95.4-179.4-17700000113.3D654 I655 R667D654-G657 PolarHBondContact O-N 2.95Å; I655-G657 VanDerWaalsContact C-N 3.29Å; I655-G657 PolarHBondContact O-N 3.24Å; G657-R667 CarbonylContact C-O 3.5Å; G657-R667 WeakPolarHBondContact CA-O 3.42Å
658F77.2Confident78.3Confident33 Ų3342.2 Ų42.215%0.14524%0.241CC..BIsolated β-bridgetrans-138.1143-176178.7-108.4000111.1T542 L660 R667 T672T542-F658 VanDerWaalsContact CB-CD2 3.48Å; T542-F658 HydrophobicContact CG2-CB 4.49Å; T542-F658 HydrophobicContact CG2-CD1 3.87Å; T542-F658 HydrophobicContact CG2-CD2 3.94Å; T542-F658 HydrophobicContact CG2-CE1 4Å; T542-F658 HydrophobicContact CG2-CE2 4.07Å; T542-F658 HydrophobicContact CG2-CG 3.83Å; T542-F658 HydrophobicContact CG2-CZ 4.09Å; F658-L660 HydrophobicContact CE1-CB 3.89Å; F658-L660 HydrophobicContact CE1-CD1 4.18Å; F658-L660 HydrophobicContact CZ-CB 4.12Å; F658-L660 HydrophobicContact CZ-CD1 3.84Å; F658-R667 PolarHBondContact N-O 3.01Å; F658-R667 PolarHBondContact O-N 3.07Å; F658-T672 HydrophobicContact CB-CG2 4.1Å
659K71.5Confident78.4Confident104 Ų10442.5 Ų42.545%0.45224%0.244SC..  trans-139.5118.8171.3-170.5178.6-172.6-172.80107.7N661 V662 S664 F666K659-N661 WeakPolarHBondContact CE-O 3.42Å; K659-N661 WeakPolarHBondContact CG-O 3.32Å; K659-V662 WeakPolarHBondContact CE-O 3.44Å; K659-V662 PolarHBondContact NZ-O 2.89Å; K659-V662 VanDerWaalsContact NZ-O 3.07Å; K659-S664 WeakPolarHBondContact CE-O 3.31Å; K659-F666 HydrophobicContact CB-CD2 4.35Å
660L63.4Low78.4Confident68 Ų6842.9 Ų42.936%0.35625%0.245SC..SBendtrans-69.5-49.9-173.7-178.768.1000111.8I626 E627 F658 S664I626-L660 HydrophobicContact CB-CD1 4.17Å; I626-L660 HydrophobicContact CG2-CD1 4.16Å; E627-L660 HydrophobicContact CB-CD2 4.23Å; F658-L660 HydrophobicContact CE1-CB 3.89Å; F658-L660 HydrophobicContact CE1-CD1 4.18Å; F658-L660 HydrophobicContact CZ-CB 4.12Å; F658-L660 HydrophobicContact CZ-CD1 3.84Å; L660-S664 PolarHBondContact N-OG 3.41Å; L660-S664 VanDerWaalsContact N-OG 3.08Å
661N58.9Low78.4Confident84 Ų8445.1 Ų45.145%0.44926%0.256SS..SBendtrans-148.8176179.76533.9000110.2K659 A663 S664K659-N661 WeakPolarHBondContact CE-O 3.42Å; K659-N661 WeakPolarHBondContact CG-O 3.32Å; N661-A663 PolarHBondContact O-N 3.24Å; N661-A663 WeakPolarHBondContact OD1-CA 3.3Å; N661-A663 WeakPolarHBondContact OD1-CB 3.48Å; N661-A663 PolarHBondContact OD1-N 2.7Å; N661-S664 PolarHBondContact N-OG 2.75Å; N661-S664 PolarHBondContact O-N 3.12Å; N661-S664 PolarHBondContact O-OG 2.88Å; N661-S664 WeakPolarHBondContact OD1-CB 3.47Å; N661-S664 PolarHBondContact OD1-N 3.25Å; N661-S664 PolarHBondContact OD1-OG 2.79Å
662V62.4Low78.3Confident137 Ų13745 Ų4583%0.8326%0.255SS*.SBendtrans-59.2-31.8-177.5-177.60000112.6K659K659-V662 WeakPolarHBondContact CE-O 3.44Å; K659-V662 PolarHBondContact NZ-O 2.89Å; K659-V662 VanDerWaalsContact NZ-O 3.07Å
663A53.5Low78.3Confident97 Ų9744.9 Ų44.980%0.80226%0.255SS*.SBendtrans-83.4-26.4-177.900000114.2N661N661-A663 PolarHBondContact O-N 3.24Å; N661-A663 WeakPolarHBondContact OD1-CA 3.3Å; N661-A663 WeakPolarHBondContact OD1-CB 3.48Å; N661-A663 PolarHBondContact OD1-N 2.7Å
664S65Low78.3Confident12 Ų1244.9 Ų44.98%0.08426%0.255CS..SBendtrans-71.5143.5179.163.30000111K659 L660 N661K659-S664 WeakPolarHBondContact CE-O 3.31Å; L660-S664 PolarHBondContact N-OG 3.41Å; L660-S664 VanDerWaalsContact N-OG 3.08Å; N661-S664 PolarHBondContact N-OG 2.75Å; N661-S664 PolarHBondContact O-N 3.12Å; N661-S664 PolarHBondContact O-OG 2.88Å; N661-S664 WeakPolarHBondContact OD1-CB 3.47Å; N661-S664 PolarHBondContact OD1-N 3.25Å; N661-S664 PolarHBondContact OD1-OG 2.79Å
665P75.2Confident78.2Confident67 Ų6744.6 Ų44.644%0.43525%0.253SS..PPolyproline II helixtrans-63.1144.4172.527.7-34.2000110.1R667P665-R667 PolarHBondContact O-N 3.48Å
666F82.1Confident77.9Confident125 Ų12544.5 Ų44.555%0.54825%0.253SS..PPolyproline II helixtrans-67.4128.8168.1171.7-92.2000108.8T656 K659T656-F666 WeakPolarHBondContact O-CZ 3.38Å; K659-F666 HydrophobicContact CB-CD2 4.35Å
667R81.9Confident78Confident20 Ų2041.9 Ų41.98%0.07524%0.236CC..BIsolated β-bridgetrans-108.2133.3178.5-57.1-62.8-167.4-172.1-0.6109.4E627 G657 F658 P665 E671 E731E627-R667 IonicContact OE1-NE 3.73Å; E627-R667 PolarHBondContact OE1-NE 3.35Å; E627-R667 IonicContact OE1-NH2 3.84Å; G657-R667 CarbonylContact C-O 3.5Å; G657-R667 WeakPolarHBondContact CA-O 3.42Å; F658-R667 PolarHBondContact N-O 3.01Å; F658-R667 PolarHBondContact O-N 3.07Å; P665-R667 PolarHBondContact O-N 3.48Å; R667-E671 HydrophobicContact CB-CB 4.04Å; R667-E731 IonicContact NH2-OE2 3.44Å; R667-E731 PolarHBondContact NH2-OE2 3.08Å
668S87.3Confident78.1Confident45 Ų4543.3 Ų43.332%0.31524%0.241SC..  trans-63.2165.7169.764.60000111.5F670 E671 T672S668-F670 PolarHBondContact O-N 3.33Å; S668-E671 WeakPolarHBondContact CB-OE2 3.47Å; S668-E671 PolarHBondContact N-OE2 3.5Å; S668-E671 PolarHBondContact O-N 3.19Å; S668-E671 VanDerWaalsContact OG-CG 3.28Å; S668-E671 WeakPolarHBondContact OG-CG 3.37Å; S668-E671 PolarHBondContact OG-N 2.96Å; S668-E671 PolarHBondContact OG-OE2 3.06Å; S668-T672 WeakPolarHBondContact O-CB 3.39Å; S668-T672 PolarHBondContact O-N 3.4Å; S668-T672 PolarHBondContact O-OG1 2.88Å
669A87.4Confident78.1Confident6 Ų642.2 Ų42.25%0.0524%0.236CC..Hα-helixtrans-57.1-35.4176.700000112.6I653 D654 I655 F673 F711I653-A669 HydrophobicContact CG2-CB 3.94Å; D654-A669 WeakPolarHBondContact O-CB 3.49Å; I655-A669 HydrophobicContact CD1-CB 4.48Å; A669-F673 PolarHBondContact O-N 2.94Å; A669-F673 VanDerWaalsContact O-N 3.12Å; A669-F711 HydrophobicContact CB-CD2 3.89Å
670F88.8Confident78.4Confident14 Ų1437.5 Ų37.56%0.06122%0.216CC..Hα-helixtrans-73.1-43.8178.3-176.5-107.8000112.2S668 T672 F673 L674 F711 F715 L718 L728S668-F670 PolarHBondContact O-N 3.33Å; F670-T672 VanDerWaalsContact C-N 3.27Å; F670-T672 PolarHBondContact O-N 3.5Å; F670-F673 WeakPolarHBondContact O-CB 3.38Å; F670-F673 PolarHBondContact O-N 3.11Å; F670-L674 HydrophobicContact CD1-CD1 4.04Å; F670-L674 HydrophobicContact CE1-CD1 3.6Å; F670-L674 HydrophobicContact CE1-CG 4.25Å; F670-L674 HydrophobicContact CZ-CD1 4.08Å; F670-L674 HydrophobicContact CZ-CD2 4.49Å; F670-L674 HydrophobicContact CZ-CG 4.35Å; F670-L674 PolarHBondContact O-N 3.05Å; F670-L674 VanDerWaalsContact O-N 3.08Å; F670-F711 HydrophobicContact CB-CD2 3.9Å; F670-F711 HydrophobicContact CB-CE2 4.16Å; F670-F711 HydrophobicContact CD2-CD2 4.42Å; F670-F711 HydrophobicContact CD2-CE2 4.14Å; F670-F711 HydrophobicContact CD2-CZ 4.37Å; F670-F715 HydrophobicContact CD2-CB 4.44Å; F670-F715 HydrophobicContact CE2-CB 4.18Å; F670-F715 HydrophobicContact CE2-CD2 4.35Å; F670-L718 HydrophobicContact CZ-CB 4.22Å; F670-L718 HydrophobicContact CZ-CD2 3.71Å; F670-L728 HydrophobicContact CE1-CD2 4.5Å
671E87Confident79.3Confident48 Ų4835.8 Ų35.822%0.22421%0.206CC..Hα-helixtrans-63.1-36.4174.2-69.2167.7127.400111.6R667 S668 F673 L674 L675 I732R667-E671 HydrophobicContact CB-CB 4.04Å; S668-E671 WeakPolarHBondContact CB-OE2 3.47Å; S668-E671 PolarHBondContact N-OE2 3.5Å; S668-E671 PolarHBondContact O-N 3.19Å; S668-E671 VanDerWaalsContact OG-CG 3.28Å; S668-E671 WeakPolarHBondContact OG-CG 3.37Å; S668-E671 PolarHBondContact OG-N 2.96Å; S668-E671 PolarHBondContact OG-OE2 3.06Å; E671-F673 VanDerWaalsContact C-N 3.34Å; E671-F673 PolarHBondContact O-N 3.19Å; E671-L674 PolarHBondContact O-N 3.4Å; E671-L675 VanDerWaalsContact O-CB 3.22Å; E671-L675 WeakPolarHBondContact O-CB 3.42Å; E671-L675 PolarHBondContact O-N 3.47Å; E671-I732 HydrophobicContact CB-CD1 4.04Å; E671-I732 HydrophobicContact CG-CD1 3.8Å
672T86.1Confident80.1Confident1 Ų135.6 Ų35.61%0.00621%0.205CC..Hα-helixtrans-62.8-40.9174.7-54.40000111.3T542 F658 S668 F670 L676T542-T672 HydrophobicContact CG2-CG2 3.72Å; F658-T672 HydrophobicContact CB-CG2 4.1Å; S668-T672 WeakPolarHBondContact O-CB 3.39Å; S668-T672 PolarHBondContact O-N 3.4Å; S668-T672 PolarHBondContact O-OG1 2.88Å; F670-T672 VanDerWaalsContact C-N 3.27Å; F670-T672 PolarHBondContact O-N 3.5Å; T672-L676 HydrophobicContact CG2-CD1 4.17Å; T672-L676 WeakPolarHBondContact O-CB 3.5Å; T672-L676 VanDerWaalsContact O-CG 3.23Å; T672-L676 WeakPolarHBondContact O-CG 3.45Å; T672-L676 PolarHBondContact O-N 3.26Å
673F88.2Confident80.3Confident0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-62.1-46.7174.8176.7-121.3000112.5F651 I653 A669 F670 E671 L676 T677 V694 F711 Y719 P740F651-F673 HydrophobicContact CD1-CD2 4.05Å; F651-F673 HydrophobicContact CD1-CE2 4.13Å; F651-F673 HydrophobicContact CD2-CE2 4.37Å; F651-F673 HydrophobicContact CE1-CD2 4.39Å; F651-F673 HydrophobicContact CE1-CE2 4.27Å; F651-F673 HydrophobicContact CG-CD2 4.37Å; F651-F673 HydrophobicContact CG-CE2 4.17Å; F651-F673 HydrophobicContact CZ-CE2 4.46Å; I653-F673 HydrophobicContact CD1-CB 3.61Å; I653-F673 HydrophobicContact CD1-CD2 3.75Å; I653-F673 HydrophobicContact CD1-CG 4.01Å; A669-F673 PolarHBondContact O-N 2.94Å; A669-F673 VanDerWaalsContact O-N 3.12Å; F670-F673 WeakPolarHBondContact O-CB 3.38Å; F670-F673 PolarHBondContact O-N 3.11Å; E671-F673 VanDerWaalsContact C-N 3.34Å; E671-F673 PolarHBondContact O-N 3.19Å; F673-L676 PolarHBondContact O-N 2.83Å; F673-T677 PolarHBondContact O-N 2.97Å; F673-T677 PolarHBondContact O-OG1 3.42Å; F673-V694 HydrophobicContact CD2-CG2 4.29Å; F673-V694 HydrophobicContact CE2-CG2 3.7Å; F673-V694 HydrophobicContact CZ-CG2 4.16Å; F673-F711 HydrophobicContact CB-CE2 4.49Å; F673-Y719 HydrophobicContact CE1-CE2 4.35Å; F673-Y719 WeakPolarHBondContact CE1-OH 3.47Å; F673-P740 HydrophobicContact CZ-CG 4.02Å
674L87.9Confident81.1Confident0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-63.2-44.8178.6-70.5178.4000111.6F670 E671 L676 T677 K678 L718 L728 I732 F737F670-L674 HydrophobicContact CD1-CD1 4.04Å; F670-L674 HydrophobicContact CE1-CD1 3.6Å; F670-L674 HydrophobicContact CE1-CG 4.25Å; F670-L674 HydrophobicContact CZ-CD1 4.08Å; F670-L674 HydrophobicContact CZ-CD2 4.49Å; F670-L674 HydrophobicContact CZ-CG 4.35Å; F670-L674 PolarHBondContact O-N 3.05Å; F670-L674 VanDerWaalsContact O-N 3.08Å; E671-L674 PolarHBondContact O-N 3.4Å; L674-L676 PolarHBondContact O-N 2.78Å; L674-T677 WeakPolarHBondContact O-CB 3.44Å; L674-T677 PolarHBondContact O-N 2.71Å; L674-K678 WeakPolarHBondContact O-CB 2.95Å; L674-K678 PolarHBondContact O-N 2.83Å; L674-L718 HydrophobicContact CD2-CD2 4.24Å; L674-L728 HydrophobicContact CD1-CD1 3.87Å; L674-L728 HydrophobicContact CD1-CD2 3.71Å; L674-L728 HydrophobicContact CD1-CG 4.43Å; L674-I732 HydrophobicContact CD1-CD1 4.42Å; L674-F737 HydrophobicContact CD2-CD1 4.04Å; L674-F737 HydrophobicContact CD2-CE1 3.9Å
675L83.8Confident81.8Confident9 Ų931.8 Ų31.85%0.04717%0.166CC..Hα-helixtrans-56.6-50.6174.8173.269.6000111.5E627 E671 T677 K678 E679 I732E627-L675 HydrophobicContact CG-CD1 3.41Å; E627-L675 VanDerWaalsContact CG-CD1 3.41Å; E627-L675 HydrophobicContact CG-CD2 3.58Å; E627-L675 HydrophobicContact CG-CG 4.01Å; E671-L675 VanDerWaalsContact O-CB 3.22Å; E671-L675 WeakPolarHBondContact O-CB 3.42Å; E671-L675 PolarHBondContact O-N 3.47Å; L675-T677 VanDerWaalsContact C-N 3.27Å; L675-T677 PolarHBondContact O-N 3.2Å; L675-K678 PolarHBondContact O-N 3.18Å; L675-E679 HydrophobicContact CD1-CG 4.46Å; L675-E679 WeakPolarHBondContact O-CG 3.47Å; L675-E679 PolarHBondContact O-N 2.86Å; L675-I732 HydrophobicContact CB-CG2 4.4Å; L675-I732 HydrophobicContact CD1-CG2 4.37Å
676L82.4Confident81.7Confident1 Ų134.9 Ų34.91%0.00517%0.174CC..Hα-helixtrans-61.5-37.2178.5-71.8169.9000112V540 T542 L625 F651 I653 T672 F673 L674 I680V540-L676 HydrophobicContact CG1-CB 4.2Å; V540-L676 HydrophobicContact CG1-CD1 4.23Å; V540-L676 HydrophobicContact CG1-CD2 4.14Å; V540-L676 HydrophobicContact CG1-CG 4.44Å; T542-L676 HydrophobicContact CG2-CD1 4.47Å; T542-L676 HydrophobicContact CG2-CD2 4.33Å; L625-L676 HydrophobicContact CB-CD2 3.77Å; L625-L676 VanDerWaalsContact O-CD2 3.28Å; L625-L676 WeakPolarHBondContact O-CD2 3.35Å; F651-L676 HydrophobicContact CD1-CB 4.27Å; F651-L676 HydrophobicContact CD1-CD1 4.32Å; F651-L676 HydrophobicContact CE1-CB 3.94Å; I653-L676 HydrophobicContact CG1-CD1 4.47Å; T672-L676 HydrophobicContact CG2-CD1 4.17Å; T672-L676 WeakPolarHBondContact O-CB 3.5Å; T672-L676 VanDerWaalsContact O-CG 3.23Å; T672-L676 WeakPolarHBondContact O-CG 3.45Å; T672-L676 PolarHBondContact O-N 3.26Å; F673-L676 PolarHBondContact O-N 2.83Å; L674-L676 PolarHBondContact O-N 2.78Å; L676-I680 VanDerWaalsContact O-CG1 3.31Å; L676-I680 WeakPolarHBondContact O-CG1 3.43Å; L676-I680 PolarHBondContact O-N 3.42Å
677T86.2Confident81.5Confident1 Ų129.4 Ų29.41%0.00615%0.15CC..Hα-helixtrans-65.7-43.1176-550000111.1F673 L674 L675 I680 E681 L688 P734 V738F673-T677 PolarHBondContact O-N 2.97Å; F673-T677 PolarHBondContact O-OG1 3.42Å; L674-T677 WeakPolarHBondContact O-CB 3.44Å; L674-T677 PolarHBondContact O-N 2.71Å; L675-T677 VanDerWaalsContact C-N 3.27Å; L675-T677 PolarHBondContact O-N 3.2Å; T677-I680 WeakPolarHBondContact O-CB 3.37Å; T677-I680 PolarHBondContact O-N 2.86Å; T677-E681 PolarHBondContact O-N 3.14Å; T677-L688 HydrophobicContact CG2-CD2 3.8Å; T677-P734 HydrophobicContact CG2-CB 4.25Å; T677-P734 HydrophobicContact CG2-CG 4.29Å; T677-V738 HydrophobicContact CG2-CB 4.39Å; T677-V738 HydrophobicContact CG2-CG2 3.81Å
678K83.2Confident81.6Confident37 Ų3729 Ų2916%0.16115%0.149CC..Hα-helixtrans-66.9-40.1176.8-171.1179.6-175-175.90112.2L674 L675 I680 E681 L682 V730 E731 R733 P734L674-K678 WeakPolarHBondContact O-CB 2.95Å; L674-K678 PolarHBondContact O-N 2.83Å; L675-K678 PolarHBondContact O-N 3.18Å; K678-I680 VanDerWaalsContact C-N 3.31Å; K678-I680 PolarHBondContact O-N 2.93Å; K678-E681 WeakPolarHBondContact O-CB 3.37Å; K678-E681 PolarHBondContact O-N 3.15Å; K678-E681 VanDerWaalsContact O-N 3.17Å; K678-L682 HydrophobicContact CG-CD1 4.13Å; K678-L682 HydrophobicContact CG-CG 4.27Å; K678-L682 WeakPolarHBondContact O-CB 3.22Å; K678-L682 VanDerWaalsContact O-CG 3.3Å; K678-L682 WeakPolarHBondContact O-CG 3.4Å; K678-L682 PolarHBondContact O-N 3.3Å; K678-V730 PolarHBondContact NZ-O 3.14Å; K678-E731 WeakPolarHBondContact CD-O 3.49Å; K678-E731 WeakPolarHBondContact CE-O 3.48Å; K678-E731 PolarHBondContact NZ-O 3.13Å; K678-R733 WeakPolarHBondContact CD-O 3.46Å; K678-R733 VanDerWaalsContact CE-O 3.31Å; K678-R733 WeakPolarHBondContact CE-O 3.44Å; K678-P734 HydrophobicContact CB-CB 4.32Å
679E78Confident81.4Confident10 Ų1031.6 Ų31.65%0.04716%0.16CC..Hα-helixtrans-58.9-45.7173.1-74.8-70.3152.700110.1L625 G628 A629 Y630 L675 E681 L682 Y683L625-E679 HydrophobicContact CD2-CB 3.76Å; G628-E679 PolarHBondContact N-OE1 3.44Å; A629-E679 PolarHBondContact N-OE2 2.79Å; Y630-E679 WeakPolarHBondContact CD1-OE2 3.49Å; Y630-E679 PolarHBondContact N-OE2 3.32Å; Y630-E679 VanDerWaalsContact N-OE2 3.14Å; L675-E679 HydrophobicContact CD1-CG 4.46Å; L675-E679 WeakPolarHBondContact O-CG 3.47Å; L675-E679 PolarHBondContact O-N 2.86Å; E679-E681 VanDerWaalsContact C-N 3.31Å; E679-E681 PolarHBondContact O-N 3.24Å; E679-L682 PolarHBondContact O-N 3.44Å; E679-Y683 WeakPolarHBondContact O-CB 3.3Å; E679-Y683 PolarHBondContact O-N 2.9Å
680I78.8Confident81.2Confident5 Ų532.7 Ų32.73%0.02616%0.164CC..Hα-helixtrans-59.7-40.4174.4-71.5165.2000112V540 L625 L649 F651 L676 T677 K678 Y683 M684 L687 L688V540-I680 HydrophobicContact CG1-CD1 4.08Å; V540-I680 HydrophobicContact CG2-CD1 3.98Å; L625-I680 HydrophobicContact CD1-CD1 4.01Å; L625-I680 HydrophobicContact CD1-CG1 3.64Å; L625-I680 HydrophobicContact CD2-CG1 4.15Å; L649-I680 HydrophobicContact CD1-CD1 4.41Å; F651-I680 HydrophobicContact CE1-CD1 3.8Å; F651-I680 HydrophobicContact CZ-CD1 3.48Å; F651-I680 VanDerWaalsContact CZ-CD1 3.48Å; L676-I680 VanDerWaalsContact O-CG1 3.31Å; L676-I680 WeakPolarHBondContact O-CG1 3.43Å; L676-I680 PolarHBondContact O-N 3.42Å; T677-I680 WeakPolarHBondContact O-CB 3.37Å; T677-I680 PolarHBondContact O-N 2.86Å; K678-I680 VanDerWaalsContact C-N 3.31Å; K678-I680 PolarHBondContact O-N 2.93Å; I680-Y683 WeakPolarHBondContact O-CB 3.45Å; I680-Y683 PolarHBondContact O-N 2.85Å; I680-M684 CarbonylContact O-C 3.49Å; I680-M684 PolarHBondContact O-N 3.27Å; I680-M684 VanDerWaalsContact O-O 3.14Å; I680-L687 HydrophobicContact CG2-CB 3.47Å; I680-L687 VanDerWaalsContact CG2-CB 3.47Å; I680-L687 HydrophobicContact CG2-CD1 4.06Å; I680-L687 HydrophobicContact CG2-CG 4.4Å; I680-L688 HydrophobicContact CB-CD2 4.49Å; I680-L688 HydrophobicContact CG2-CD2 4Å
681E81.9Confident81.1Confident32 Ų3233.4 Ų33.415%0.1517%0.17CC..Hα-helixtrans-64.6-51.8177.7-176.9-170.1156.900112.8T677 K678 E679 Y683 M684 L688 P734 S735T677-E681 PolarHBondContact O-N 3.14Å; K678-E681 WeakPolarHBondContact O-CB 3.37Å; K678-E681 PolarHBondContact O-N 3.15Å; K678-E681 VanDerWaalsContact O-N 3.17Å; E679-E681 VanDerWaalsContact C-N 3.31Å; E679-E681 PolarHBondContact O-N 3.24Å; E681-Y683 PolarHBondContact O-N 2.74Å; E681-M684 CarbonylContact O-C 3.56Å; E681-M684 PolarHBondContact O-N 2.83Å; E681-L688 HydrophobicContact CB-CD1 3.86Å; E681-L688 HydrophobicContact CB-CD2 4.32Å; E681-L688 HydrophobicContact CB-CG 4.35Å; E681-L688 HydrophobicContact CG-CD1 3.8Å; E681-P734 VanDerWaalsContact OE2-C 3.28Å; E681-P734 WeakPolarHBondContact OE2-CA 3.41Å; E681-P734 WeakPolarHBondContact OE2-CB 3.4Å; E681-S735 VanDerWaalsContact CD-N 3.3Å; E681-S735 WeakPolarHBondContact OE1-CB 3.31Å; E681-S735 PolarHBondContact OE1-N 2.83Å; E681-S735 VanDerWaalsContact OE1-N 3.13Å; E681-S735 PolarHBondContact OE1-OG 3.44Å; E681-S735 PolarHBondContact OE2-N 3.43Å
682L74.4Confident81.2Confident81 Ų8131.2 Ų31.242%0.42416%0.16SC..Hα-helixtrans-60.4-27.8177.2-68.8174.4000111Y630 K678 E679Y630-L682 HydrophobicContact CD1-CB 4.11Å; Y630-L682 HydrophobicContact CD1-CD1 3.64Å; Y630-L682 HydrophobicContact CD2-CB 3.88Å; Y630-L682 HydrophobicContact CD2-CD1 4.3Å; Y630-L682 HydrophobicContact CE1-CD1 3.63Å; Y630-L682 HydrophobicContact CE2-CD1 4.29Å; Y630-L682 HydrophobicContact CG-CB 3.62Å; Y630-L682 HydrophobicContact CG-CD1 3.98Å; Y630-L682 HydrophobicContact CG-CG 4.43Å; K678-L682 HydrophobicContact CG-CD1 4.13Å; K678-L682 HydrophobicContact CG-CG 4.27Å; K678-L682 WeakPolarHBondContact O-CB 3.22Å; K678-L682 VanDerWaalsContact O-CG 3.3Å; K678-L682 WeakPolarHBondContact O-CG 3.4Å; K678-L682 PolarHBondContact O-N 3.3Å; E679-L682 PolarHBondContact O-N 3.44Å
683Y66.5Low81.4Confident55 Ų5531.2 Ų31.222%0.21616%0.16CC..Hα-helixtrans-75.4-57.8176.3-158.7-69.9000112.3L640 E679 I680 E681L640-Y683 HydrophobicContact CB-CE1 4.34Å; L640-Y683 HydrophobicContact CD1-CD1 4.36Å; L640-Y683 HydrophobicContact CD1-CE1 3.12Å; L640-Y683 WeakPolarHBondContact CD1-OH 3.47Å; L640-Y683 HydrophobicContact CD2-CD1 3.7Å; L640-Y683 HydrophobicContact CD2-CE1 2.81Å; L640-Y683 HydrophobicContact CD2-CE2 4.26Å; L640-Y683 WeakPolarHBondContact CD2-OH 3.39Å; L640-Y683 HydrophobicContact CG-CD1 4.42Å; L640-Y683 HydrophobicContact CG-CE1 3.25Å; L640-Y683 VanDerWaalsContact CG-CZ 3.46Å; L640-Y683 WeakPolarHBondContact CG-OH 3.47Å; E679-Y683 WeakPolarHBondContact O-CB 3.3Å; E679-Y683 PolarHBondContact O-N 2.9Å; I680-Y683 WeakPolarHBondContact O-CB 3.45Å; I680-Y683 PolarHBondContact O-N 2.85Å; E681-Y683 PolarHBondContact O-N 2.74Å
684M70.8Confident81.5Confident26 Ų2631.2 Ų31.213%0.12816%0.16CC..  trans-158.6111.1177.3-168.9179.9101.200110.2E644 I680 E681 E686 L687E644-M684 HydrophobicContact CB-CE 4.4Å; E644-M684 HydrophobicContact CG-CE 3.31Å; E644-M684 HydrophobicContact CG-SD 3.51Å; E644-M684 VanDerWaalsContact CG-SD 3.51Å; E644-M684 VanDerWaalsContact OE1-SD 3.4Å; I680-M684 CarbonylContact O-C 3.49Å; I680-M684 PolarHBondContact O-N 3.27Å; I680-M684 VanDerWaalsContact O-O 3.14Å; E681-M684 CarbonylContact O-C 3.56Å; E681-M684 PolarHBondContact O-N 2.83Å; M684-E686 HydrophobicContact CE-CB 3.7Å; M684-E686 HydrophobicContact CG-CB 4.37Å; M684-E686 PolarHBondContact O-N 3.45Å; M684-E686 VanDerWaalsContact O-N 3.15Å; M684-L687 HydrophobicContact CB-CD1 4.22Å; M684-L687 HydrophobicContact CB-CG 4.17Å; M684-L687 HydrophobicContact CE-CD1 4.49Å; M684-L687 HydrophobicContact CE-CD2 3.58Å; M684-L687 HydrophobicContact CE-CG 3.54Å; M684-L687 WeakPolarHBondContact O-CB 3.18Å; M684-L687 PolarHBondContact O-N 2.87Å; M684-L687 HydrophobicContact SD-CG 4.43Å
685P79.5Confident81.6Confident85 Ų8531.3 Ų31.355%0.55216%0.16SC*.G310 helixtrans-62.5-28.7-172.822.4-32.6000113.4L687 L688P685-L687 PolarHBondContact O-N 3.2Å; P685-L688 WeakPolarHBondContact O-CB 3.34Å; P685-L688 PolarHBondContact O-N 2.68Å; P685-L688 VanDerWaalsContact O-N 3.15Å
686E74.4Confident82Confident132 Ų13230.9 Ų30.962%0.61716%0.158SC*.G310 helixtrans-64.2-20.9177.9-60.2174.3-17300113.4M684 L688 D689M684-E686 HydrophobicContact CE-CB 3.7Å; M684-E686 HydrophobicContact CG-CB 4.37Å; M684-E686 PolarHBondContact O-N 3.45Å; M684-E686 VanDerWaalsContact O-N 3.15Å; E686-L688 PolarHBondContact O-N 2.66Å; E686-D689 PolarHBondContact O-N 2.94Å
687L78.2Confident82.3Confident9 Ų930.9 Ų30.95%0.04716%0.158CC..G310 helixtrans-69.3-22176-70.2-179.6000112.6V643 I680 M684 P685 D689 K690V643-L687 HydrophobicContact CB-CD1 4.49Å; V643-L687 HydrophobicContact CG1-CD1 3.71Å; V643-L687 HydrophobicContact CG1-CD2 3.9Å; V643-L687 HydrophobicContact CG1-CG 4.49Å; I680-L687 HydrophobicContact CG2-CB 3.47Å; I680-L687 VanDerWaalsContact CG2-CB 3.47Å; I680-L687 HydrophobicContact CG2-CD1 4.06Å; I680-L687 HydrophobicContact CG2-CG 4.4Å; M684-L687 HydrophobicContact CB-CD1 4.22Å; M684-L687 HydrophobicContact CB-CG 4.17Å; M684-L687 HydrophobicContact CE-CD1 4.49Å; M684-L687 HydrophobicContact CE-CD2 3.58Å; M684-L687 HydrophobicContact CE-CG 3.54Å; M684-L687 WeakPolarHBondContact O-CB 3.18Å; M684-L687 PolarHBondContact O-N 2.87Å; M684-L687 HydrophobicContact SD-CG 4.43Å; P685-L687 PolarHBondContact O-N 3.2Å; L687-D689 PolarHBondContact O-N 3.04Å; L687-K690 HydrophobicContact CD2-CD 3.96Å; L687-K690 WeakPolarHBondContact O-CB 3.19Å; L687-K690 PolarHBondContact O-N 3.45Å
688L82.9Confident82.3Confident11 Ų1132.9 Ų32.96%0.05817%0.167CC..G310 helixtrans-69.1-18.2177-59.7-177.1000112.9T677 I680 E681 P685 E686 K690 R736 V738T677-L688 HydrophobicContact CG2-CD2 3.8Å; I680-L688 HydrophobicContact CB-CD2 4.49Å; I680-L688 HydrophobicContact CG2-CD2 4Å; E681-L688 HydrophobicContact CB-CD1 3.86Å; E681-L688 HydrophobicContact CB-CD2 4.32Å; E681-L688 HydrophobicContact CB-CG 4.35Å; E681-L688 HydrophobicContact CG-CD1 3.8Å; P685-L688 WeakPolarHBondContact O-CB 3.34Å; P685-L688 PolarHBondContact O-N 2.68Å; P685-L688 VanDerWaalsContact O-N 3.15Å; E686-L688 PolarHBondContact O-N 2.66Å; L688-K690 VanDerWaalsContact C-N 3.26Å; L688-R736 HydrophobicContact CD1-CB 4.03Å; L688-V738 HydrophobicContact CB-CG2 3.86Å; L688-V738 HydrophobicContact CD2-CG2 3.54Å; L688-V738 HydrophobicContact CG-CG2 4.22Å
689D83Confident82.5Confident101 Ų10133 Ų3354%0.5417%0.168SC..G310 helixtrans-76.5-15.3174.7-74.5-51.1000113.1E686 L687 R736E686-D689 PolarHBondContact O-N 2.94Å; L687-D689 PolarHBondContact O-N 3.04Å; D689-R736 IonicContact OD1-CZ 3.8Å; D689-R736 IonicContact OD1-NH1 3.73Å; D689-R736 PolarHBondContact OD1-NH1 3.43Å; D689-R736 IonicContact OD1-NH2 3.63Å; D689-R736 PolarHBondContact OD1-NH2 3.43Å; D689-R736 IonicContact OD2-NH1 3.83Å
690K82.8Confident82.8Confident29 Ų2934.3 Ų34.313%0.12618%0.176CC..SBendtrans-72.2141.8-176.8-66.1-168.2173.5-160.40111.7V643 E644 T646 L649 L687 L688 C692V643-K690 PolarHBondContact O-NZ 3.49Å; E644-K690 WeakPolarHBondContact O-CE 3.21Å; E644-K690 PolarHBondContact O-NZ 2.94Å; T646-K690 WeakPolarHBondContact O-CE 3.37Å; T646-K690 PolarHBondContact O-NZ 3.45Å; T646-K690 PolarHBondContact OG1-NZ 3.18Å; T646-K690 VanDerWaalsContact OG1-NZ 3.07Å; L649-K690 HydrophobicContact CD1-CB 4.38Å; L649-K690 HydrophobicContact CG-CB 4.34Å; L649-K690 HydrophobicContact CG-CD 4.48Å; L687-K690 HydrophobicContact CD2-CD 3.96Å; L687-K690 WeakPolarHBondContact O-CB 3.19Å; L687-K690 PolarHBondContact O-N 3.45Å; L688-K690 VanDerWaalsContact C-N 3.26Å; K690-C692 PolarHBondContact O-N 3.33Å
691P87.7Confident83.1Confident29 Ų2937.7 Ų37.719%0.18819%0.192CC..  trans-48.9131.9164.6-27.635.8000110.9L648 L649 K741 L768L648-P691 WeakPolarHBondContact CA-O 3.44Å; L648-P691 HydrophobicContact CD1-CB 4.19Å; L648-P691 HydrophobicContact CG-CB 4.34Å; L649-P691 PolarHBondContact N-O 3.3Å; P691-K741 HydrophobicContact CB-CD 4.08Å; P691-L768 HydrophobicContact CB-CD1 4.41Å; P691-L768 HydrophobicContact CG-CD1 3.95Å; P691-L768 HydrophobicContact CG-CD2 3.92Å
692C89.5Confident83.1Confident2 Ų241.1 Ų41.11%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-128.6150.1173.673.20000113L649 F651 K690 V738 K741L649-C692 HydrophobicContact CB-CB 4.19Å; L649-C692 CarbonylContact O-C 3.57Å; L649-C692 WeakPolarHBondContact O-CA 3.47Å; F651-C692 HydrophobicContact CD2-CB 4.07Å; F651-C692 HydrophobicContact CE2-CB 3.81Å; K690-C692 PolarHBondContact O-N 3.33Å; C692-V738 HydrophobicContact CB-CG1 4.43Å; C692-V738 WeakPolarHBondContact SG-CG1 3.41Å; C692-K741 PolarHBondContact O-N 3.41Å
693V90.1Very high83.5Confident0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-124.5140.1174.21750000107.8L648 L649 L650 F651L648-V693 HydrophobicContact CD1-CG2 4.04Å; L648-V693 HydrophobicContact CD2-CB 4.41Å; L648-V693 HydrophobicContact CD2-CG2 4.15Å; L649-V693 PolarHBondContact O-N 3Å; L650-V693 WeakPolarHBondContact CA-O 3.3Å; L650-V693 HydrophobicContact CD1-CB 3.68Å; L650-V693 HydrophobicContact CD1-CG1 3.61Å; F651-V693 PolarHBondContact N-O 3.47Å
694V90.6Very high84.4Confident1 Ų140.6 Ų40.61%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-113.8126.6-179.6176.30000110.3F651 I653 F673 L696 P740 K742 L743 W744F651-V694 HydrophobicContact CB-CG2 4.09Å; I653-V694 HydrophobicContact CD1-CG1 3.86Å; F673-V694 HydrophobicContact CD2-CG2 4.29Å; F673-V694 HydrophobicContact CE2-CG2 3.7Å; F673-V694 HydrophobicContact CZ-CG2 4.16Å; V694-L696 HydrophobicContact CG1-CD2 4.19Å; V694-P740 HydrophobicContact CB-CB 4.49Å; V694-P740 HydrophobicContact CB-CG 4.49Å; V694-P740 HydrophobicContact CG2-CB 3.85Å; V694-P740 HydrophobicContact CG2-CG 3.54Å; V694-K742 PolarHBondContact N-O 2.49Å; V694-L743 HydrophobicContact CB-CD1 4.43Å; V694-L743 HydrophobicContact CB-CG 4.46Å; V694-L743 HydrophobicContact CG1-CD1 4.19Å; V694-L743 HydrophobicContact CG1-CG 4.42Å; V694-L743 CarbonylContact O-C 3.55Å; V694-L743 WeakPolarHBondContact O-CA 3.46Å; V694-W744 PolarHBondContact O-N 3.27Å
695C89.9Confident85.2Confident2 Ų246.6 Ų46.61%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-113.6113.2174.3-72.80000109.8F651 I652 I653 N697 W744 I746F651-C695 PolarHBondContact O-N 2.94Å; I652-C695 WeakPolarHBondContact CA-O 3.06Å; I652-C695 HydrophobicContact CG1-CB 4.45Å; I653-C695 PolarHBondContact N-O 3.21Å; C695-N697 PolarHBondContact O-N 3.35Å; C695-W744 CarbonylContact C-O 3.54Å; C695-W744 WeakPolarHBondContact CA-O 3.37Å; C695-I746 HydrophobicContact CB-CD1 3.84Å; C695-I746 HydrophobicContact CB-CG1 4.34Å
696L91Very high85.5Confident0 Ų045.6 Ų45.60%025%0.252CS..EExtended strand (participates in β ladder)trans-84.9106.9171.2-59.3-178.9000108.7I653 I655 V694 F708 F711 L743 W744 I746I653-L696 HydrophobicContact CB-CD2 4.16Å; I653-L696 HydrophobicContact CD1-CD2 4.46Å; I653-L696 HydrophobicContact CG2-CD2 4.38Å; I655-L696 HydrophobicContact CD1-CB 4.26Å; I655-L696 HydrophobicContact CD1-CD1 4Å; V694-L696 HydrophobicContact CG1-CD2 4.19Å; L696-F708 HydrophobicContact CD1-CD2 3.66Å; L696-F708 HydrophobicContact CD1-CE2 3.75Å; L696-F711 HydrophobicContact CD1-CD1 3.87Å; L696-F711 HydrophobicContact CD1-CE1 4.19Å; L696-F711 HydrophobicContact CD1-CG 4.12Å; L696-F711 HydrophobicContact CD2-CD2 4.16Å; L696-F711 HydrophobicContact CD2-CE1 4.4Å; L696-F711 HydrophobicContact CD2-CE2 3.92Å; L696-F711 HydrophobicContact CD2-CG 4.48Å; L696-F711 HydrophobicContact CD2-CZ 4.06Å; L696-L743 HydrophobicContact CD1-CD1 4.29Å; L696-L743 HydrophobicContact CD1-CD2 3.86Å; L696-L743 HydrophobicContact CD1-CG 4.42Å; L696-L743 HydrophobicContact CG-CD2 4.3Å; L696-W744 PolarHBondContact N-O 3.39Å; L696-I746 PolarHBondContact O-N 2.93Å
697N88.5Confident86.1Confident1 Ų141.3 Ų41.31%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-89.1168.6-177.3-166.224.3000112.2D543 Y546 I652 I653 I655 C695 I746 A748D543-N697 PolarHBondContact OD2-ND2 3.33Å; Y546-N697 WeakPolarHBondContact CB-ND2 3.18Å; I652-N697 HydrophobicContact CG2-CB 4.14Å; I653-N697 PolarHBondContact O-N 3.22Å; I655-N697 VanDerWaalsContact CB-O 3.31Å; I655-N697 WeakPolarHBondContact CB-O 2.99Å; I655-N697 VanDerWaalsContact CG2-O 3.27Å; I655-N697 WeakPolarHBondContact CG2-O 3.3Å; I655-N697 PolarHBondContact N-O 2.97Å; I655-N697 VanDerWaalsContact N-O 3.12Å; C695-N697 PolarHBondContact O-N 3.35Å; N697-I746 CarbonylContact C-O 3.32Å; N697-I746 HydrophobicContact CB-CG1 4.32Å; N697-A748 VanDerWaalsContact OD1-CB 3.28Å; N697-A748 WeakPolarHBondContact OD1-CB 3.46Å; N697-A748 PolarHBondContact OD1-N 3.48Å
698K86.2Confident86.7Confident42 Ų4243.6 Ų43.618%0.18325%0.246CC..  trans6533.8177.8-49.8-169.2-166.5167.60114.6D543 D654 I655 D700 M701 I746D543-K698 VanDerWaalsContact CG-CE 3.41Å; D543-K698 WeakPolarHBondContact OD1-CE 3.33Å; D543-K698 IonicContact OD1-NZ 3.87Å; D543-K698 PolarHBondContact OD1-NZ 3.27Å; D543-K698 WeakPolarHBondContact OD2-CE 3.44Å; D543-K698 IonicContact OD2-NZ 2.71Å; D543-K698 PolarHBondContact OD2-NZ 2.89Å; D654-K698 VanDerWaalsContact OD2-CD 3.3Å; D654-K698 WeakPolarHBondContact OD2-CD 3.36Å; D654-K698 WeakPolarHBondContact OD2-CE 2.98Å; D654-K698 IonicContact OD2-NZ 3.59Å; D654-K698 PolarHBondContact OD2-NZ 2.9Å; I655-K698 HydrophobicContact CG2-CB 4.28Å; I655-K698 WeakPolarHBondContact CG2-O 3.49Å; K698-D700 WeakPolarHBondContact CA-OD1 3.47Å; K698-D700 PolarHBondContact O-N 2.9Å; K698-M701 HydrophobicContact CB-CG 4.07Å; K698-M701 WeakPolarHBondContact O-CG 3.39Å; K698-M701 PolarHBondContact O-N 2.82Å; K698-M701 VanDerWaalsContact O-N 3.15Å; K698-I746 PolarHBondContact N-O 3.24Å
699M87.5Confident87Confident40 Ų4051.9 Ų51.920%0.19728%0.277CS..THydrogen-bonded Turntrans-61.9-12.4174.5-71.6-62.3-60.900114.3I655 M701 S704 F708 A745 I746I655-M699 HydrophobicContact CG1-SD 4.1Å; M699-M701 VanDerWaalsContact C-N 3.3Å; M699-M701 PolarHBondContact O-N 2.73Å; M699-S704 WeakPolarHBondContact O-CB 3.33Å; M699-S704 PolarHBondContact O-OG 3.48Å; M699-F708 HydrophobicContact CE-CB 4.21Å; M699-F708 HydrophobicContact CE-CD2 4.25Å; M699-F708 HydrophobicContact CE-CG 4.28Å; M699-F708 HydrophobicContact SD-CB 4.4Å; M699-F708 HydrophobicContact SD-CD2 4.15Å; M699-A745 HydrophobicContact CE-CB 4.39Å; M699-A745 HydrophobicContact CG-CB 4Å; M699-A745 HydrophobicContact SD-CB 4.27Å; M699-I746 WeakPolarHBondContact CB-O 3.46Å; M699-I746 WeakPolarHBondContact CG-O 3Å; M699-I746 PolarHBondContact N-O 3.04Å
700D85Confident87.2Confident37 Ų3750.6 Ų50.620%0.19828%0.276CS..THydrogen-bonded Turntrans-75.3-10.2174.757.1-66.5000114.8K698 S747 K750K698-D700 WeakPolarHBondContact CA-OD1 3.47Å; K698-D700 PolarHBondContact O-N 2.9Å; D700-S747 VanDerWaalsContact CG-OG 3.27Å; D700-S747 PolarHBondContact OD1-OG 3.34Å; D700-K750 HydrophobicContact CB-CD 3.93Å; D700-K750 HydrophobicContact CB-CG 4.28Å
701M84.9Confident87.6Confident76 Ų7649.4 Ų49.437%0.37427%0.27SS..SBendtrans-72.4147.8178.4-65.8-65.9102.700112.7T656 K698 M699 N703 S704T656-M701 HydrophobicContact CG2-CB 4.08Å; T656-M701 HydrophobicContact CG2-CG 3.97Å; K698-M701 HydrophobicContact CB-CG 4.07Å; K698-M701 WeakPolarHBondContact O-CG 3.39Å; K698-M701 PolarHBondContact O-N 2.82Å; K698-M701 VanDerWaalsContact O-N 3.15Å; M699-M701 VanDerWaalsContact C-N 3.3Å; M699-M701 PolarHBondContact O-N 2.73Å; M701-N703 VanDerWaalsContact C-N 3.29Å; M701-N703 PolarHBondContact O-N 3.02Å; M701-S704 WeakPolarHBondContact O-CB 3.32Å; M701-S704 PolarHBondContact O-N 2.85Å; M701-S704 PolarHBondContact O-OG 2.79Å
702A81.2Confident87.6Confident105 Ų10550.7 Ų50.787%0.86827%0.274SS*.THydrogen-bonded Turntrans-58.3-35.7-174.600000114.2
703N84.2Confident87.5Confident119 Ų11957 Ų5764%0.63630%0.304SS*.THydrogen-bonded Turntrans-92.12.2180-71.6-11.5000114M701 K705 A706 C707M701-N703 VanDerWaalsContact C-N 3.29Å; M701-N703 PolarHBondContact O-N 3.02Å; N703-K705 VanDerWaalsContact C-N 3.33Å; N703-K705 PolarHBondContact O-N 2.9Å; N703-A706 PolarHBondContact O-N 2.83Å; N703-C707 PolarHBondContact O-N 3.27Å; N703-C707 VanDerWaalsContact O-N 3.17Å; N703-C707 PolarHBondContact O-SG 2.97Å
704S84.9Confident87.3Confident5 Ų559 Ų594%0.03532%0.318CS..Hα-helixtrans-57.5-41.9-171.665.30000113.3M699 M701 A706 C707 F708M699-S704 WeakPolarHBondContact O-CB 3.33Å; M699-S704 PolarHBondContact O-OG 3.48Å; M701-S704 WeakPolarHBondContact O-CB 3.32Å; M701-S704 PolarHBondContact O-N 2.85Å; M701-S704 PolarHBondContact O-OG 2.79Å; S704-A706 VanDerWaalsContact C-N 3.34Å; S704-A706 PolarHBondContact O-N 3.49Å; S704-C707 PolarHBondContact O-N 3.13Å; S704-F708 VanDerWaalsContact O-CB 3.27Å; S704-F708 WeakPolarHBondContact O-CB 3.46Å; S704-F708 PolarHBondContact O-N 3.22Å
705K86.9Confident87.1Confident153 Ų15360.1 Ų60.167%0.66532%0.322SS*.Hα-helixtrans-64.3-36.5-178.6-66.8-177-179178.20112.9N703 R709N703-K705 VanDerWaalsContact C-N 3.33Å; N703-K705 PolarHBondContact O-N 2.9Å; K705-R709 WeakPolarHBondContact O-CG 3.4Å; K705-R709 PolarHBondContact O-N 2.88Å
706A87Confident86.9Confident64 Ų6462.1 Ų62.153%0.52933%0.333SS..Hα-helixtrans-72.2-46.9178.100000110.6N703 S704 F708 R709 S710N703-A706 PolarHBondContact O-N 2.83Å; S704-A706 VanDerWaalsContact C-N 3.34Å; S704-A706 PolarHBondContact O-N 3.49Å; A706-F708 VanDerWaalsContact C-N 3.31Å; A706-F708 PolarHBondContact O-N 3.37Å; A706-R709 PolarHBondContact O-N 2.85Å; A706-S710 PolarHBondContact O-N 3.31Å
707C87Confident86.4Confident42 Ų4263.5 Ų63.528%0.28434%0.344SS..Hα-helixtrans-59.4-40.1175-64.20000112I655 N703 S704 S710 F711I655-C707 HydrophobicContact CD1-CB 4.39Å; I655-C707 HydrophobicContact CG1-CB 3.89Å; I655-C707 VanDerWaalsContact O-CB 3.29Å; I655-C707 WeakPolarHBondContact O-CB 3.46Å; N703-C707 PolarHBondContact O-N 3.27Å; N703-C707 VanDerWaalsContact O-N 3.17Å; N703-C707 PolarHBondContact O-SG 2.97Å; S704-C707 PolarHBondContact O-N 3.13Å; C707-S710 WeakPolarHBondContact O-CB 3.4Å; C707-S710 PolarHBondContact O-N 3.16Å; C707-F711 WeakPolarHBondContact O-CB 3.46Å; C707-F711 PolarHBondContact O-N 2.79Å
708F89.2Confident86.1Confident57 Ų5764.6 Ų64.625%0.2535%0.35CS..Hα-helixtrans-61.8-44.2175-178.1-91.5000112.9I655 L696 M699 S704 A706 S710 F711 M712 L743 A745I655-F708 HydrophobicContact CD1-CB 4.17Å; I655-F708 HydrophobicContact CD1-CD2 4.48Å; I655-F708 HydrophobicContact CG1-CB 4.49Å; L696-F708 HydrophobicContact CD1-CD2 3.66Å; L696-F708 HydrophobicContact CD1-CE2 3.75Å; M699-F708 HydrophobicContact CE-CB 4.21Å; M699-F708 HydrophobicContact CE-CD2 4.25Å; M699-F708 HydrophobicContact CE-CG 4.28Å; M699-F708 HydrophobicContact SD-CB 4.4Å; M699-F708 HydrophobicContact SD-CD2 4.15Å; S704-F708 VanDerWaalsContact O-CB 3.27Å; S704-F708 WeakPolarHBondContact O-CB 3.46Å; S704-F708 PolarHBondContact O-N 3.22Å; A706-F708 VanDerWaalsContact C-N 3.31Å; A706-F708 PolarHBondContact O-N 3.37Å; F708-S710 VanDerWaalsContact C-N 3.32Å; F708-S710 PolarHBondContact O-N 3.4Å; F708-F711 PolarHBondContact O-N 3.29Å; F708-M712 HydrophobicContact CD1-CG 4.19Å; F708-M712 HydrophobicContact CE1-CG 3.75Å; F708-M712 HydrophobicContact CE2-CG 4.41Å; F708-M712 HydrophobicContact CZ-CG 3.87Å; F708-M712 HydrophobicContact CZ-SD 4.23Å; F708-M712 WeakPolarHBondContact O-CG 3.47Å; F708-M712 PolarHBondContact O-N 3Å; F708-L743 HydrophobicContact CE2-CD2 4.15Å; F708-A745 HydrophobicContact CD2-CB 4.38Å; F708-A745 HydrophobicContact CE2-CB 3.87Å
709R89.6Confident85.7Confident185 Ų18564.5 Ų64.570%0.69835%0.349SS*.Hα-helixtrans-62.2-41.4174.1-71.6173.8-174175.11111.5K705 A706 M712 H713K705-R709 WeakPolarHBondContact O-CG 3.4Å; K705-R709 PolarHBondContact O-N 2.88Å; A706-R709 PolarHBondContact O-N 2.85Å; R709-M712 PolarHBondContact O-N 3.31Å; R709-H713 WeakPolarHBondContact O-CB 3.38Å; R709-H713 PolarHBondContact O-N 3.07Å
710S88.4Confident85Confident74 Ų7469 Ų6952%0.51737%0.369SS..Hα-helixtrans-62.2-45.2176.1-167.60000111.6A706 C707 F708 H713 S714A706-S710 PolarHBondContact O-N 3.31Å; C707-S710 WeakPolarHBondContact O-CB 3.4Å; C707-S710 PolarHBondContact O-N 3.16Å; F708-S710 VanDerWaalsContact C-N 3.32Å; F708-S710 PolarHBondContact O-N 3.4Å; S710-H713 PolarHBondContact O-N 3.32Å; S710-S714 PolarHBondContact O-N 2.94Å; S710-S714 VanDerWaalsContact O-N 3.07Å; S710-S714 PolarHBondContact O-OG 3.46Å
711F89.7Confident84.1Confident4 Ų475 Ų752%0.01839%0.394CS..Hα-helixtrans-58.8-51.4176.5-178.2-79.4000111A669 F670 F673 L696 C707 F708 H713 S714 F715 L743A669-F711 HydrophobicContact CB-CD2 3.89Å; F670-F711 HydrophobicContact CB-CD2 3.9Å; F670-F711 HydrophobicContact CB-CE2 4.16Å; F670-F711 HydrophobicContact CD2-CD2 4.42Å; F670-F711 HydrophobicContact CD2-CE2 4.14Å; F670-F711 HydrophobicContact CD2-CZ 4.37Å; F673-F711 HydrophobicContact CB-CE2 4.49Å; L696-F711 HydrophobicContact CD1-CD1 3.87Å; L696-F711 HydrophobicContact CD1-CE1 4.19Å; L696-F711 HydrophobicContact CD1-CG 4.12Å; L696-F711 HydrophobicContact CD2-CD2 4.16Å; L696-F711 HydrophobicContact CD2-CE1 4.4Å; L696-F711 HydrophobicContact CD2-CE2 3.92Å; L696-F711 HydrophobicContact CD2-CG 4.48Å; L696-F711 HydrophobicContact CD2-CZ 4.06Å; C707-F711 WeakPolarHBondContact O-CB 3.46Å; C707-F711 PolarHBondContact O-N 2.79Å; F708-F711 PolarHBondContact O-N 3.29Å; F711-H713 VanDerWaalsContact C-N 3.28Å; F711-H713 PolarHBondContact O-N 2.83Å; F711-S714 PolarHBondContact O-N 3.31Å; F711-F715 HydrophobicContact CD1-CB 4.29Å; F711-F715 HydrophobicContact CE1-CB 4.03Å; F711-F715 AromaticContact CE1-CD2 3.99Å; F711-F715 HydrophobicContact CE1-CD2 3.99Å; F711-F715 HydrophobicContact CE1-CG 4.18Å; F711-F715 HydrophobicContact CZ-CD2 4.28Å; F711-F715 WeakPolarHBondContact O-CB 3.4Å; F711-F715 PolarHBondContact O-N 3.35Å; F711-L743 HydrophobicContact CD1-CD1 4.22Å; F711-L743 HydrophobicContact CE1-CD1 3.4Å; F711-L743 VanDerWaalsContact CE1-CD1 3.4Å; F711-L743 HydrophobicContact CZ-CD1 4.09Å
712M89.4Confident83Confident55 Ų5574.5 Ų74.527%0.27141%0.407SS..Hα-helixtrans-63.1-34.5-179.7-70.8-58.9-58.900112.3F708 R709 N716 L743F708-M712 HydrophobicContact CD1-CG 4.19Å; F708-M712 HydrophobicContact CE1-CG 3.75Å; F708-M712 HydrophobicContact CE2-CG 4.41Å; F708-M712 HydrophobicContact CZ-CG 3.87Å; F708-M712 HydrophobicContact CZ-SD 4.23Å; F708-M712 WeakPolarHBondContact O-CG 3.47Å; F708-M712 PolarHBondContact O-N 3Å; R709-M712 PolarHBondContact O-N 3.31Å; M712-N716 VanDerWaalsContact O-CB 3.31Å; M712-N716 WeakPolarHBondContact O-CB 3.36Å; M712-N716 PolarHBondContact O-N 3.35Å; M712-N716 PolarHBondContact O-OD1 3.12Å; M712-L743 HydrophobicContact SD-CD1 4.45Å; M712-L743 HydrophobicContact SD-CD2 4.21Å
713H87.3Confident82Confident136 Ų13671.7 Ų71.763%0.6338%0.384SS*.Hα-helixtrans-64-51.1175.7-172.375.3000111.7R709 S710 F711 A717R709-H713 WeakPolarHBondContact O-CB 3.38Å; R709-H713 PolarHBondContact O-N 3.07Å; S710-H713 PolarHBondContact O-N 3.32Å; F711-H713 VanDerWaalsContact C-N 3.28Å; F711-H713 PolarHBondContact O-N 2.83Å; H713-A717 WeakPolarHBondContact O-CB 3.43Å; H713-A717 PolarHBondContact O-N 2.91Å
714S85.3Confident80.7Confident42 Ų4270.1 Ų70.129%0.29438%0.383SS..Hα-helixtrans-64.2-40.3177-59.80000112.2S710 F711 A717 L718S710-S714 PolarHBondContact O-N 2.94Å; S710-S714 VanDerWaalsContact O-N 3.07Å; S710-S714 PolarHBondContact O-OG 3.46Å; F711-S714 PolarHBondContact O-N 3.31Å; S714-A717 PolarHBondContact O-N 3.37Å; S714-L718 PolarHBondContact O-N 3.35Å; S714-L718 VanDerWaalsContact O-N 3.12Å
715F86.5Confident79.7Confident24 Ų2472.8 Ų72.811%0.10540%0.396CS..Hα-helixtrans-63.1-48.9177.8-175.4-88.8000112F670 F711 A717 L718 Y719 P740F670-F715 HydrophobicContact CD2-CB 4.44Å; F670-F715 HydrophobicContact CE2-CB 4.18Å; F670-F715 HydrophobicContact CE2-CD2 4.35Å; F711-F715 HydrophobicContact CD1-CB 4.29Å; F711-F715 HydrophobicContact CE1-CB 4.03Å; F711-F715 AromaticContact CE1-CD2 3.99Å; F711-F715 HydrophobicContact CE1-CD2 3.99Å; F711-F715 HydrophobicContact CE1-CG 4.18Å; F711-F715 HydrophobicContact CZ-CD2 4.28Å; F711-F715 WeakPolarHBondContact O-CB 3.4Å; F711-F715 PolarHBondContact O-N 3.35Å; F715-A717 VanDerWaalsContact C-N 3.34Å; F715-A717 PolarHBondContact O-N 2.99Å; F715-L718 PolarHBondContact O-N 2.93Å; F715-Y719 HydrophobicContact CD1-CD2 4.43Å; F715-Y719 AromaticContact CD2-CD2 3.71Å; F715-Y719 HydrophobicContact CD2-CD2 3.71Å; F715-Y719 AromaticContact CD2-CE2 3.85Å; F715-Y719 HydrophobicContact CD2-CE2 3.85Å; F715-Y719 HydrophobicContact CE1-CD2 4.38Å; F715-Y719 AromaticContact CE2-CD2 3.65Å; F715-Y719 HydrophobicContact CE2-CD2 3.65Å; F715-Y719 AromaticContact CE2-CE2 3.72Å; F715-Y719 HydrophobicContact CE2-CE2 3.72Å; F715-Y719 HydrophobicContact CE2-CG 4.34Å; F715-Y719 HydrophobicContact CG-CD2 4.11Å; F715-Y719 HydrophobicContact CZ-CD2 4.01Å; F715-Y719 HydrophobicContact CZ-CE2 4.44Å; F715-Y719 HydrophobicContact CZ-CG 4.28Å; F715-Y719 WeakPolarHBondContact O-CB 3.43Å; F715-Y719 WeakPolarHBondContact O-CD2 3.46Å; F715-Y719 PolarHBondContact O-N 3.24Å; F715-P740 HydrophobicContact CE2-CG 3.99Å; F715-P740 HydrophobicContact CZ-CG 4.12Å
716N85Confident78.3Confident44 Ų4469.5 Ų69.524%0.23539%0.393CS..Hα-helixtrans-68.6-34.6179.1-68.96.9000111.8M712 L718 E720 K721M712-N716 VanDerWaalsContact O-CB 3.31Å; M712-N716 WeakPolarHBondContact O-CB 3.36Å; M712-N716 PolarHBondContact O-N 3.35Å; M712-N716 PolarHBondContact O-OD1 3.12Å; N716-L718 VanDerWaalsContact C-N 3.35Å; N716-L718 PolarHBondContact O-N 3.44Å; N716-E720 HydrophobicContact CB-CG 4.36Å; N716-E720 WeakPolarHBondContact CB-OE2 3.28Å; N716-E720 VanDerWaalsContact CG-OE2 3.28Å; N716-E720 PolarHBondContact ND2-OE2 3.48Å; N716-E720 WeakPolarHBondContact O-CA 3.2Å; N716-E720 VanDerWaalsContact O-CB 3.28Å; N716-E720 WeakPolarHBondContact O-CB 3.31Å; N716-E720 PolarHBondContact O-N 3.35Å; N716-K721 PolarHBondContact O-N 3.38Å; N716-K721 VanDerWaalsContact O-N 3.07Å
717A81.9Confident77.2Confident29 Ų2975.1 Ų75.124%0.2441%0.408CS..Hα-helixtrans-59.7-45.9175.200000111.6H713 S714 F715 G722 A723H713-A717 WeakPolarHBondContact O-CB 3.43Å; H713-A717 PolarHBondContact O-N 2.91Å; S714-A717 PolarHBondContact O-N 3.37Å; F715-A717 VanDerWaalsContact C-N 3.34Å; F715-A717 PolarHBondContact O-N 2.99Å; A717-G722 PolarHBondContact O-N 3.11Å; A717-A723 HydrophobicContact CB-CB 4.41Å; A717-A723 WeakPolarHBondContact O-CB 3.42Å; A717-A723 PolarHBondContact O-N 3.19Å; A717-A723 VanDerWaalsContact O-N 3.07Å
718L80.5Confident76.4Confident24 Ų2474.6 Ų74.613%0.12640%0.402CS..Hα-helixtrans-75-52-179.2-169.868.4000112.5F670 L674 S714 F715 N716 D725 L728 F737F670-L718 HydrophobicContact CZ-CB 4.22Å; F670-L718 HydrophobicContact CZ-CD2 3.71Å; L674-L718 HydrophobicContact CD2-CD2 4.24Å; S714-L718 PolarHBondContact O-N 3.35Å; S714-L718 VanDerWaalsContact O-N 3.12Å; F715-L718 PolarHBondContact O-N 2.93Å; N716-L718 VanDerWaalsContact C-N 3.35Å; N716-L718 PolarHBondContact O-N 3.44Å; L718-D725 WeakPolarHBondContact CD1-OD1 3.4Å; L718-L728 HydrophobicContact CD1-CD1 4.38Å; L718-F737 HydrophobicContact CD1-CE1 4.46Å; L718-F737 HydrophobicContact CD1-CZ 4.45Å; L718-F737 HydrophobicContact CD2-CD1 3.73Å; L718-F737 HydrophobicContact CD2-CE1 3.66Å; L718-F737 HydrophobicContact CD2-CZ 4.42Å
719Y78.7Confident75.6Confident39 Ų3974.5 Ų74.515%0.15341%0.407CS..Hα-helixtrans-89.6-23.8-169.2-72.6-85.3000115.3F673 F715 F737 V738 K739F673-Y719 HydrophobicContact CE1-CE2 4.35Å; F673-Y719 WeakPolarHBondContact CE1-OH 3.47Å; F715-Y719 HydrophobicContact CD1-CD2 4.43Å; F715-Y719 AromaticContact CD2-CD2 3.71Å; F715-Y719 HydrophobicContact CD2-CD2 3.71Å; F715-Y719 AromaticContact CD2-CE2 3.85Å; F715-Y719 HydrophobicContact CD2-CE2 3.85Å; F715-Y719 HydrophobicContact CE1-CD2 4.38Å; F715-Y719 AromaticContact CE2-CD2 3.65Å; F715-Y719 HydrophobicContact CE2-CD2 3.65Å; F715-Y719 AromaticContact CE2-CE2 3.72Å; F715-Y719 HydrophobicContact CE2-CE2 3.72Å; F715-Y719 HydrophobicContact CE2-CG 4.34Å; F715-Y719 HydrophobicContact CG-CD2 4.11Å; F715-Y719 HydrophobicContact CZ-CD2 4.01Å; F715-Y719 HydrophobicContact CZ-CE2 4.44Å; F715-Y719 HydrophobicContact CZ-CG 4.28Å; F715-Y719 WeakPolarHBondContact O-CB 3.43Å; F715-Y719 WeakPolarHBondContact O-CD2 3.46Å; F715-Y719 PolarHBondContact O-N 3.24Å; Y719-F737 HydrophobicContact CE1-CB 3.86Å; Y719-V738 WeakPolarHBondContact CE1-O 3.33Å; Y719-V738 VanDerWaalsContact CZ-O 3.28Å; Y719-V738 PolarHBondContact OH-O 3.45Å; Y719-K739 HydrophobicContact CD1-CB 4.36Å; Y719-K739 HydrophobicContact CD1-CG 4.43Å; Y719-K739 HydrophobicContact CE1-CB 4.39Å
720E73.1Confident74.8Confident135 Ų13570.8 Ų70.863%0.63141%0.405SS*.THydrogen-bonded Turntrans-106.7-37.4-178.9-56.9-177155.900112.7N716N716-E720 HydrophobicContact CB-CG 4.36Å; N716-E720 WeakPolarHBondContact CB-OE2 3.28Å; N716-E720 VanDerWaalsContact CG-OE2 3.28Å; N716-E720 PolarHBondContact ND2-OE2 3.48Å; N716-E720 WeakPolarHBondContact O-CA 3.2Å; N716-E720 VanDerWaalsContact O-CB 3.28Å; N716-E720 WeakPolarHBondContact O-CB 3.31Å; N716-E720 PolarHBondContact O-N 3.35Å
721K65Low74Confident164 Ų16473.6 Ų73.671%0.71341%0.41SS*.THydrogen-bonded Turntrans-97.9-4.6-175.4-62-176.8179.2-179.60114.2N716 A723N716-K721 PolarHBondContact O-N 3.38Å; N716-K721 VanDerWaalsContact O-N 3.07Å; K721-A723 VanDerWaalsContact C-N 3.27Å; K721-A723 PolarHBondContact O-N 3.29Å
722G62.7Low73.3Confident64 Ų6473.5 Ų73.566%0.6641%0.41SS*.  trans60.136.1179.800000113A717A717-G722 PolarHBondContact O-N 3.11Å
723A60.4Low72.8Confident46 Ų4674.3 Ų74.338%0.3841%0.41SS..  trans-56.5142.7177.200000110.8A717 K721 D725A717-A723 HydrophobicContact CB-CB 4.41Å; A717-A723 WeakPolarHBondContact O-CB 3.42Å; A717-A723 PolarHBondContact O-N 3.19Å; A717-A723 VanDerWaalsContact O-N 3.07Å; K721-A723 VanDerWaalsContact C-N 3.27Å; K721-A723 PolarHBondContact O-N 3.29Å; A723-D725 PolarHBondContact O-N 3.36Å
724S56.5Low72.3Confident86 Ų8668 Ų6860%0.60138%0.381SS*.  trans-62.6123.9-178179.30000111.1S726S724-S726 WeakPolarHBondContact CB-OG 3.29Å; S724-S726 PolarHBondContact O-N 3.34Å; S724-S726 WeakPolarHBondContact OG-CB 3.12Å; S724-S726 PolarHBondContact OG-OG 3.4Å
725D64.5Low71.8Confident61 Ų6170.8 Ų70.833%0.32640%0.4SS..G310 helixtrans-58.3-12.7177.7-56.2-30.9000113.7L718 A723 E727 L728 R733 F737L718-D725 WeakPolarHBondContact CD1-OD1 3.4Å; A723-D725 PolarHBondContact O-N 3.36Å; D725-E727 PolarHBondContact O-N 3.06Å; D725-E727 VanDerWaalsContact O-N 3.12Å; D725-L728 PolarHBondContact O-N 3.28Å; D725-R733 VanDerWaalsContact O-CZ 3.24Å; D725-R733 PolarHBondContact O-NE 2.91Å; D725-R733 VanDerWaalsContact O-NE 3.08Å; D725-R733 PolarHBondContact O-NH2 3.06Å; D725-F737 HydrophobicContact CB-CZ 4.41Å; D725-F737 WeakPolarHBondContact OD1-CE2 3.47Å; D725-F737 WeakPolarHBondContact OD1-CZ 3.36Å; D725-F737 WeakPolarHBondContact OD2-CE2 3.35Å
726S57.2Low71.4Confident84 Ų8475.3 Ų75.359%0.58742%0.417SS*.G310 helixtrans-55.7-25.8-176.2550000114.5S724 R733S724-S726 WeakPolarHBondContact CB-OG 3.29Å; S724-S726 PolarHBondContact O-N 3.34Å; S724-S726 WeakPolarHBondContact OG-CB 3.12Å; S724-S726 PolarHBondContact OG-OG 3.4Å; S726-R733 PolarHBondContact O-NH2 3.39Å
727E64.4Low71.1Confident182 Ų18275.6 Ų75.685%0.8542%0.416SS*.G310 helixtrans-80.4-15.5179.5-65.9-176.9176.800113.9D725D725-E727 PolarHBondContact O-N 3.06Å; D725-E727 VanDerWaalsContact O-N 3.12Å
728L70.2Confident71Confident31 Ų3175 Ų7516%0.16241%0.409CS..SBendtrans-81.7137.8179.9-66.7168000111.4F670 L674 L718 D725 V730 R733 F737F670-L728 HydrophobicContact CE1-CD2 4.5Å; L674-L728 HydrophobicContact CD1-CD1 3.87Å; L674-L728 HydrophobicContact CD1-CD2 3.71Å; L674-L728 HydrophobicContact CD1-CG 4.43Å; L718-L728 HydrophobicContact CD1-CD1 4.38Å; D725-L728 PolarHBondContact O-N 3.28Å; L728-V730 PolarHBondContact O-N 3.1Å; L728-R733 PolarHBondContact O-NH2 2.78Å; L728-F737 HydrophobicContact CD1-CE1 4.38Å; L728-F737 HydrophobicContact CD1-CZ 4.43Å
729P71Confident71.1Confident55 Ų5581.2 Ų81.236%0.35744%0.435SS..  trans-55.5135.3170.9-23.331.5000111.6E731 I732 R733P729-E731 PolarHBondContact O-N 2.88Å; P729-E731 VanDerWaalsContact O-N 3.1Å; P729-I732 HydrophobicContact CB-CG1 4.2Å; P729-I732 HydrophobicContact CG-CD1 4.29Å; P729-I732 HydrophobicContact CG-CG1 4.36Å; P729-I732 WeakPolarHBondContact O-CG1 3.19Å; P729-I732 PolarHBondContact O-N 3.25Å; P729-R733 PolarHBondContact O-N 3.13Å
730V73.5Confident71.5Confident107 Ų10780 Ų8065%0.64843%0.432SS*.G310 helixtrans-54.9-33.9-179.9178.70000111.2K678 L728 I732 R733K678-V730 PolarHBondContact NZ-O 3.14Å; L728-V730 PolarHBondContact O-N 3.1Å; V730-I732 VanDerWaalsContact C-N 3.28Å; V730-I732 PolarHBondContact O-N 2.7Å; V730-R733 PolarHBondContact O-N 3.25Å
731E70.4Confident72.1Confident134 Ų13478.3 Ų78.363%0.62642%0.423SS*.G310 helixtrans-57.4-33.7178.9-66.4171-168.100113.9R667 K678 P729R667-E731 IonicContact NH2-OE2 3.44Å; R667-E731 PolarHBondContact NH2-OE2 3.08Å; K678-E731 WeakPolarHBondContact CD-O 3.49Å; K678-E731 WeakPolarHBondContact CE-O 3.48Å; K678-E731 PolarHBondContact NZ-O 3.13Å; P729-E731 PolarHBondContact O-N 2.88Å; P729-E731 VanDerWaalsContact O-N 3.1Å
732I75Confident73.2Confident1 Ų175.3 Ų75.31%0.00541%0.41CS..G310 helixtrans-109.1-1.4-17666170.9000113.6E671 L674 L675 P729 V730 P734E671-I732 HydrophobicContact CB-CD1 4.04Å; E671-I732 HydrophobicContact CG-CD1 3.8Å; L674-I732 HydrophobicContact CD1-CD1 4.42Å; L675-I732 HydrophobicContact CB-CG2 4.4Å; L675-I732 HydrophobicContact CD1-CG2 4.37Å; P729-I732 HydrophobicContact CB-CG1 4.2Å; P729-I732 HydrophobicContact CG-CD1 4.29Å; P729-I732 HydrophobicContact CG-CG1 4.36Å; P729-I732 WeakPolarHBondContact O-CG1 3.19Å; P729-I732 PolarHBondContact O-N 3.25Å; V730-I732 VanDerWaalsContact C-N 3.28Å; V730-I732 PolarHBondContact O-N 2.7Å; I732-P734 VanDerWaalsContact O-CD 3.29Å; I732-P734 WeakPolarHBondContact O-CD 3.23Å
733R79.4Confident74.5Confident73 Ų7374.2 Ų74.228%0.27539%0.389SS..  trans-82.3115.5-176.9-169-173-66143.5-2111.3K678 D725 S726 L728 P729 V730 F737K678-R733 WeakPolarHBondContact CD-O 3.46Å; K678-R733 VanDerWaalsContact CE-O 3.31Å; K678-R733 WeakPolarHBondContact CE-O 3.44Å; D725-R733 VanDerWaalsContact O-CZ 3.24Å; D725-R733 PolarHBondContact O-NE 2.91Å; D725-R733 VanDerWaalsContact O-NE 3.08Å; D725-R733 PolarHBondContact O-NH2 3.06Å; S726-R733 PolarHBondContact O-NH2 3.39Å; L728-R733 PolarHBondContact O-NH2 2.78Å; P729-R733 PolarHBondContact O-N 3.13Å; V730-R733 PolarHBondContact O-N 3.25Å; R733-F737 HydrophobicContact CG-CZ 4.25Å
734P77.1Confident75.9Confident4 Ų474.5 Ų74.53%0.02638%0.38CS..  trans-74.3155.4169.331.8-34.1000111.3T677 K678 E681 I732 R736 F737T677-P734 HydrophobicContact CG2-CB 4.25Å; T677-P734 HydrophobicContact CG2-CG 4.29Å; K678-P734 HydrophobicContact CB-CB 4.32Å; E681-P734 VanDerWaalsContact OE2-C 3.28Å; E681-P734 WeakPolarHBondContact OE2-CA 3.41Å; E681-P734 WeakPolarHBondContact OE2-CB 3.4Å; I732-P734 VanDerWaalsContact O-CD 3.29Å; I732-P734 WeakPolarHBondContact O-CD 3.23Å; P734-R736 VanDerWaalsContact C-N 3.28Å; P734-F737 HydrophobicContact CG-CD1 3.81Å; P734-F737 HydrophobicContact CG-CE1 3.79Å; P734-F737 HydrophobicContact CG-CG 4.46Å; P734-F737 HydrophobicContact CG-CZ 4.43Å
735S74.6Confident77.5Confident100 Ų10071.6 Ų71.670%0.69936%0.361SS*.SBendtrans-69.6-28.6171.868.40000112.3E681E681-S735 VanDerWaalsContact CD-N 3.3Å; E681-S735 WeakPolarHBondContact OE1-CB 3.31Å; E681-S735 PolarHBondContact OE1-N 2.83Å; E681-S735 VanDerWaalsContact OE1-N 3.13Å; E681-S735 PolarHBondContact OE1-OG 3.44Å; E681-S735 PolarHBondContact OE2-N 3.43Å
736R78.8Confident78.7Confident118 Ų11869 Ų6945%0.44535%0.347SS..SBendtrans-133.3121.1178.9179.8176.5163.9-169.3-8.9111.1L688 D689 P734L688-R736 HydrophobicContact CD1-CB 4.03Å; D689-R736 IonicContact OD1-CZ 3.8Å; D689-R736 IonicContact OD1-NH1 3.73Å; D689-R736 PolarHBondContact OD1-NH1 3.43Å; D689-R736 IonicContact OD1-NH2 3.63Å; D689-R736 PolarHBondContact OD1-NH2 3.43Å; D689-R736 IonicContact OD2-NH1 3.83Å; P734-R736 VanDerWaalsContact C-N 3.28Å
737F78.1Confident80.1Confident51 Ų5165 Ų6522%0.22432%0.319CS..  trans-78.6123177-63.3-82.7000111.3L674 L718 Y719 D725 L728 R733 P734L674-F737 HydrophobicContact CD2-CD1 4.04Å; L674-F737 HydrophobicContact CD2-CE1 3.9Å; L718-F737 HydrophobicContact CD1-CE1 4.46Å; L718-F737 HydrophobicContact CD1-CZ 4.45Å; L718-F737 HydrophobicContact CD2-CD1 3.73Å; L718-F737 HydrophobicContact CD2-CE1 3.66Å; L718-F737 HydrophobicContact CD2-CZ 4.42Å; Y719-F737 HydrophobicContact CE1-CB 3.86Å; D725-F737 HydrophobicContact CB-CZ 4.41Å; D725-F737 WeakPolarHBondContact OD1-CE2 3.47Å; D725-F737 WeakPolarHBondContact OD1-CZ 3.36Å; D725-F737 WeakPolarHBondContact OD2-CE2 3.35Å; L728-F737 HydrophobicContact CD1-CE1 4.38Å; L728-F737 HydrophobicContact CD1-CZ 4.43Å; R733-F737 HydrophobicContact CG-CZ 4.25Å; P734-F737 HydrophobicContact CG-CD1 3.81Å; P734-F737 HydrophobicContact CG-CE1 3.79Å; P734-F737 HydrophobicContact CG-CG 4.46Å; P734-F737 HydrophobicContact CG-CZ 4.43Å
738V79.5Confident80.9Confident16 Ų1656.3 Ų56.310%0.09728%0.279CS..  trans-84126.8176-173.60000109.1T677 L688 C692 Y719 P740T677-V738 HydrophobicContact CG2-CB 4.39Å; T677-V738 HydrophobicContact CG2-CG2 3.81Å; L688-V738 HydrophobicContact CB-CG2 3.86Å; L688-V738 HydrophobicContact CD2-CG2 3.54Å; L688-V738 HydrophobicContact CG-CG2 4.22Å; C692-V738 HydrophobicContact CB-CG1 4.43Å; C692-V738 WeakPolarHBondContact SG-CG1 3.41Å; Y719-V738 WeakPolarHBondContact CE1-O 3.33Å; Y719-V738 VanDerWaalsContact CZ-O 3.28Å; Y719-V738 PolarHBondContact OH-O 3.45Å; V738-P740 WeakPolarHBondContact O-CD 3.44Å
739K83.9Confident81.2Confident154 Ų15459.8 Ų59.867%0.6729%0.292SS*.  trans-91.7115.2175.2-172.4174-178172.20109.9Y719Y719-K739 HydrophobicContact CD1-CB 4.36Å; Y719-K739 HydrophobicContact CD1-CG 4.43Å; Y719-K739 HydrophobicContact CE1-CB 4.39Å
740P86.3Confident81.7Confident15 Ų1562.9 Ų62.910%0.09730%0.3CS..  trans-60.3138.7175.8-22.733.1000112.5F673 V694 F715 V738 K742F673-P740 HydrophobicContact CZ-CG 4.02Å; V694-P740 HydrophobicContact CB-CB 4.49Å; V694-P740 HydrophobicContact CB-CG 4.49Å; V694-P740 HydrophobicContact CG2-CB 3.85Å; V694-P740 HydrophobicContact CG2-CG 3.54Å; F715-P740 HydrophobicContact CE2-CG 3.99Å; F715-P740 HydrophobicContact CZ-CG 4.12Å; V738-P740 WeakPolarHBondContact O-CD 3.44Å; P740-K742 VanDerWaalsContact C-N 3.28Å
741K85.3Confident81.9Confident98 Ų9861.6 Ų61.643%0.42629%0.287SS..SBendtrans-63.4-38.3170.7-77.7-168.7170.4-174.80111.1P691 C692P691-K741 HydrophobicContact CB-CD 4.08Å; C692-K741 PolarHBondContact O-N 3.41Å
742K87.9Confident82.5Confident101 Ų10159.5 Ų59.544%0.43928%0.277SS..EExtended strand (participates in β ladder)trans-153148.4-179.7-162.266.7174-173.70111.2V694 P740 W744 H760V694-K742 PolarHBondContact N-O 2.49Å; P740-K742 VanDerWaalsContact C-N 3.28Å; K742-W744 HydrophobicContact CG-CD2 4.47Å; K742-W744 HydrophobicContact CG-CZ2 4.02Å; K742-H760 WeakPolarHBondContact CB-NE2 3.2Å
743L90Very high82.9Confident42 Ų4263.8 Ų63.822%0.2230%0.3CS..EExtended strand (participates in β ladder)trans-117.7130.6172.4-172.1143.8000110V694 L696 F708 F711 M712V694-L743 HydrophobicContact CB-CD1 4.43Å; V694-L743 HydrophobicContact CB-CG 4.46Å; V694-L743 HydrophobicContact CG1-CD1 4.19Å; V694-L743 HydrophobicContact CG1-CG 4.42Å; V694-L743 CarbonylContact O-C 3.55Å; V694-L743 WeakPolarHBondContact O-CA 3.46Å; L696-L743 HydrophobicContact CD1-CD1 4.29Å; L696-L743 HydrophobicContact CD1-CD2 3.86Å; L696-L743 HydrophobicContact CD1-CG 4.42Å; L696-L743 HydrophobicContact CG-CD2 4.3Å; F708-L743 HydrophobicContact CE2-CD2 4.15Å; F711-L743 HydrophobicContact CD1-CD1 4.22Å; F711-L743 HydrophobicContact CE1-CD1 3.4Å; F711-L743 VanDerWaalsContact CE1-CD1 3.4Å; F711-L743 HydrophobicContact CZ-CD1 4.09Å; M712-L743 HydrophobicContact SD-CD1 4.45Å; M712-L743 HydrophobicContact SD-CD2 4.21Å
744W90.2Very high83.1Confident52 Ų5260.9 Ų60.920%0.19729%0.29CS..EExtended strand (participates in β ladder)trans-121.5137.8-179-66.6101.7000110.9V694 C695 L696 K742 I746 P756 V757 H760V694-W744 PolarHBondContact O-N 3.27Å; C695-W744 CarbonylContact C-O 3.54Å; C695-W744 WeakPolarHBondContact CA-O 3.37Å; L696-W744 PolarHBondContact N-O 3.39Å; K742-W744 HydrophobicContact CG-CD2 4.47Å; K742-W744 HydrophobicContact CG-CZ2 4.02Å; W744-I746 HydrophobicContact CB-CG2 4.19Å; W744-P756 HydrophobicContact CE3-CB 4.38Å; W744-P756 HydrophobicContact CH2-CB 3.72Å; W744-P756 HydrophobicContact CZ3-CB 3.63Å; W744-V757 HydrophobicContact CB-CG2 3.81Å; W744-V757 HydrophobicContact CD2-CG2 3.86Å; W744-V757 HydrophobicContact CE3-CG2 4.39Å; W744-V757 HydrophobicContact CG-CG2 3.58Å; W744-H760 HydrophobicContact CZ2-CB 3.97Å; W744-H760 AromaticContact NE1-CD2 3.78Å
745A90.7Very high83.4Confident25 Ų2566.7 Ų66.721%0.20732%0.317CS..EExtended strand (participates in β ladder)trans-101.9116.1170.600000108.4M699 F708 N753M699-A745 HydrophobicContact CE-CB 4.39Å; M699-A745 HydrophobicContact CG-CB 4Å; M699-A745 HydrophobicContact SD-CB 4.27Å; F708-A745 HydrophobicContact CD2-CB 4.38Å; F708-A745 HydrophobicContact CE2-CB 3.87Å; A745-N753 WeakPolarHBondContact O-CB 3.29Å; A745-N753 PolarHBondContact O-ND2 3.29Å
746I89.4Confident83.9Confident6 Ų664.5 Ų64.53%0.03130%0.3CS..  trans-127.2156.5-173.567171.6000111.4C695 L696 N697 K698 M699 W744 N753 V757C695-I746 HydrophobicContact CB-CD1 3.84Å; C695-I746 HydrophobicContact CB-CG1 4.34Å; L696-I746 PolarHBondContact O-N 2.93Å; N697-I746 CarbonylContact C-O 3.32Å; N697-I746 HydrophobicContact CB-CG1 4.32Å; K698-I746 PolarHBondContact N-O 3.24Å; M699-I746 WeakPolarHBondContact CB-O 3.46Å; M699-I746 WeakPolarHBondContact CG-O 3Å; M699-I746 PolarHBondContact N-O 3.04Å; W744-I746 HydrophobicContact CB-CG2 4.19Å; I746-N753 HydrophobicContact CG2-CB 4.07Å; I746-V757 HydrophobicContact CG2-CG2 3.96Å
747S85.8Confident84.3Confident0 Ų059 Ų590%028%0.28CS..BIsolated β-bridgetrans-121.5101.9159.7176.80000107.3D700 K749 K750 H751 E752D700-S747 VanDerWaalsContact CG-OG 3.27Å; D700-S747 PolarHBondContact OD1-OG 3.34Å; S747-K749 VanDerWaalsContact C-N 3.26Å; S747-K749 PolarHBondContact O-N 3.41Å; S747-K750 PolarHBondContact O-N 2.96Å; S747-K750 PolarHBondContact OG-N 3.44Å; S747-H751 WeakPolarHBondContact O-CA 3.47Å; S747-H751 PolarHBondContact O-N 2.51Å; S747-E752 PolarHBondContact N-O 3.49Å; S747-E752 PolarHBondContact O-N 2.74Å
748A81.2Confident84.6Confident0 Ų057.5 Ų57.50%027%0.274CS..THydrogen-bonded Turntrans-54-49.5174.400000109.8Y546 C550 Y556 N697 K750 H751Y546-A748 HydrophobicContact CD1-CB 3.51Å; Y546-A748 HydrophobicContact CE1-CB 4.29Å; Y546-A748 HydrophobicContact CG-CB 4.04Å; C550-A748 WeakPolarHBondContact SG-CB 3.44Å; Y556-A748 PolarHBondContact OH-O 2.91Å; N697-A748 VanDerWaalsContact OD1-CB 3.28Å; N697-A748 WeakPolarHBondContact OD1-CB 3.46Å; N697-A748 PolarHBondContact OD1-N 3.48Å; A748-K750 VanDerWaalsContact C-N 3.28Å; A748-K750 PolarHBondContact O-N 3.28Å; A748-K750 VanDerWaalsContact O-N 3.16Å; A748-H751 PolarHBondContact O-N 3.5Å
749K77.3Confident84.9Confident104 Ų10459.6 Ų59.645%0.45229%0.287SS..THydrogen-bonded Turntrans-52.9-39.6-179.9-172.8-179.9176.8-174.30114.4Y546 S747Y546-K749 HydrophobicContact CE1-CB 4.29Å; S747-K749 VanDerWaalsContact C-N 3.26Å; S747-K749 PolarHBondContact O-N 3.41Å
750K80.9Confident85.1Confident120 Ų12054 Ų5452%0.52226%0.263SS..THydrogen-bonded Turntrans-98.61.9-179.1-67.4-170.8176.1179.30113.9D700 S747 A748 E752D700-K750 HydrophobicContact CB-CD 3.93Å; D700-K750 HydrophobicContact CB-CG 4.28Å; S747-K750 PolarHBondContact O-N 2.96Å; S747-K750 PolarHBondContact OG-N 3.44Å; A748-K750 VanDerWaalsContact C-N 3.28Å; A748-K750 PolarHBondContact O-N 3.28Å; A748-K750 VanDerWaalsContact O-N 3.16Å; K750-E752 HydrophobicContact CB-CG 3.83Å; K750-E752 WeakPolarHBondContact CD-OE1 3.44Å; K750-E752 PolarHBondContact O-N 2.91Å
751H77.7Confident85Confident80 Ų8053.3 Ų53.337%0.3726%0.258SS..THydrogen-bonded Turntrans5428.9-169.3-65.3-89.4000115Y556 S747 A748 I754Y556-H751 AromaticContact CD1-NE2 3.89Å; Y556-H751 AromaticContact CD2-CE1 3.39Å; Y556-H751 WeakPolarHBondContact CD2-CE1 3.4Å; Y556-H751 AromaticContact CD2-NE2 3.03Å; Y556-H751 WeakPolarHBondContact CD2-NE2 3.32Å; Y556-H751 AromaticContact CE1-NE2 3.79Å; Y556-H751 AromaticContact CE2-CE1 2.93Å; Y556-H751 WeakPolarHBondContact CE2-CE1 3.29Å; Y556-H751 AromaticContact CE2-ND1 3.98Å; Y556-H751 AromaticContact CE2-NE2 2.97Å; Y556-H751 WeakPolarHBondContact CE2-NE2 3.41Å; Y556-H751 AromaticContact CG-NE2 3.52Å; Y556-H751 AromaticContact CZ-CE1 3.47Å; Y556-H751 VanDerWaalsContact CZ-CE1 3.47Å; Y556-H751 AromaticContact CZ-NE2 3.34Å; Y556-H751 VanDerWaalsContact CZ-NE2 3.34Å; S747-H751 WeakPolarHBondContact O-CA 3.47Å; S747-H751 PolarHBondContact O-N 2.51Å; A748-H751 PolarHBondContact O-N 3.5Å; H751-I754 HydrophobicContact CB-CD1 4.11Å
752E82.8Confident85Confident89 Ų8952 Ų5242%0.41625%0.25SS..BIsolated β-bridgetrans-82.1130.5179.1-68.1175.1-172.600110.3S747 K750 I754S747-E752 PolarHBondContact N-O 3.49Å; S747-E752 PolarHBondContact O-N 2.74Å; K750-E752 HydrophobicContact CB-CG 3.83Å; K750-E752 WeakPolarHBondContact CD-OE1 3.44Å; K750-E752 PolarHBondContact O-N 2.91Å; E752-I754 VanDerWaalsContact C-N 3.27Å; E752-I754 PolarHBondContact O-N 3.16Å
753N83.8Confident85Confident91 Ų9152 Ų5249%0.48725%0.252SS..THydrogen-bonded Turntrans61.420.1178.6-62.3-30.1000116.4A745 I746 V757A745-N753 WeakPolarHBondContact O-CB 3.29Å; A745-N753 PolarHBondContact O-ND2 3.29Å; I746-N753 HydrophobicContact CG2-CB 4.07Å; N753-V757 WeakPolarHBondContact O-CG2 3.47Å
754I83.7Confident84.8Confident12 Ų1250.1 Ų50.16%0.06224%0.243CC..Hα-helixtrans-73.5-47.5176.5-65.6-177.1000112.1C550 H751 E752 V757 I758C550-I754 HydrophobicContact CB-CD1 4.44Å; C550-I754 WeakPolarHBondContact O-CG2 3.4Å; H751-I754 HydrophobicContact CB-CD1 4.11Å; E752-I754 VanDerWaalsContact C-N 3.27Å; E752-I754 PolarHBondContact O-N 3.16Å; I754-V757 WeakPolarHBondContact O-CA 3.47Å; I754-V757 WeakPolarHBondContact O-CB 3.35Å; I754-V757 PolarHBondContact O-N 3.44Å; I754-I758 HydrophobicContact CG2-CD1 3.82Å; I754-I758 HydrophobicContact CG2-CG1 4.32Å; I754-I758 PolarHBondContact O-N 3.36Å; I754-I758 VanDerWaalsContact O-N 3.09Å
755Q82.9Confident84.5Confident127 Ų12747.6 Ų47.659%0.59323%0.233SC*.Hα-helixtrans-57.5-43.1-176.2-16466.110.700113.5V757 I758 T759Q755-V757 VanDerWaalsContact C-N 3.27Å; Q755-V757 PolarHBondContact O-N 3.44Å; Q755-I758 PolarHBondContact O-N 2.85Å; Q755-T759 PolarHBondContact O-N 2.77Å; Q755-T759 PolarHBondContact O-OG1 2.81Å
756P86.5Confident84.2Confident53 Ų5348.7 Ų48.734%0.34424%0.236SC..Hα-helixtrans-59.3-34.3173.1-25.235.6000114.1W744 H760W744-P756 HydrophobicContact CE3-CB 4.38Å; W744-P756 HydrophobicContact CH2-CB 3.72Å; W744-P756 HydrophobicContact CZ3-CB 3.63Å; P756-H760 WeakPolarHBondContact O-CB 3.44Å; P756-H760 PolarHBondContact O-N 2.8Å
757V86Confident83.9Confident4 Ų453.4 Ų53.42%0.02426%0.257CS..Hα-helixtrans-66.7-45.9176.3175.90000110.3W744 I746 N753 I754 Q755 T759 H760 L761W744-V757 HydrophobicContact CB-CG2 3.81Å; W744-V757 HydrophobicContact CD2-CG2 3.86Å; W744-V757 HydrophobicContact CE3-CG2 4.39Å; W744-V757 HydrophobicContact CG-CG2 3.58Å; I746-V757 HydrophobicContact CG2-CG2 3.96Å; N753-V757 WeakPolarHBondContact O-CG2 3.47Å; I754-V757 WeakPolarHBondContact O-CA 3.47Å; I754-V757 WeakPolarHBondContact O-CB 3.35Å; I754-V757 PolarHBondContact O-N 3.44Å; Q755-V757 VanDerWaalsContact C-N 3.27Å; Q755-V757 PolarHBondContact O-N 3.44Å; V757-T759 PolarHBondContact O-N 3.04Å; V757-H760 PolarHBondContact O-N 3.3Å; V757-L761 HydrophobicContact CG1-CD1 4.18Å; V757-L761 HydrophobicContact CG1-CG 4.41Å; V757-L761 WeakPolarHBondContact O-CG 3.33Å; V757-L761 PolarHBondContact O-N 3.44Å
758I84.8Confident83.6Confident18 Ų1854.4 Ų54.49%0.09226%0.262CS..Hα-helixtrans-59-48.7177.5-67.5173.6000110.7F551 I609 Y611 I754 Q755 H760 L761 R762F551-I758 HydrophobicContact CD1-CD1 3.96Å; F551-I758 HydrophobicContact CD1-CG1 3.71Å; F551-I758 HydrophobicContact CE1-CD1 4.46Å; F551-I758 HydrophobicContact CE1-CG1 3.76Å; I609-I758 HydrophobicContact CG2-CG2 3.86Å; Y611-I758 HydrophobicContact CE1-CG2 3.63Å; Y611-I758 PolarHBondContact OH-O 3.41Å; Y611-I758 VanDerWaalsContact OH-O 3.06Å; I754-I758 HydrophobicContact CG2-CD1 3.82Å; I754-I758 HydrophobicContact CG2-CG1 4.32Å; I754-I758 PolarHBondContact O-N 3.36Å; I754-I758 VanDerWaalsContact O-N 3.09Å; Q755-I758 PolarHBondContact O-N 2.85Å; I758-H760 VanDerWaalsContact C-N 3.31Å; I758-H760 PolarHBondContact O-N 3.03Å; I758-L761 PolarHBondContact O-N 3.37Å; I758-R762 PolarHBondContact O-N 3.2Å; I758-R762 VanDerWaalsContact O-N 3.17Å
759T85.9Confident83.2Confident60 Ų6055.7 Ų55.737%0.36827%0.269SS..Hα-helixtrans-59.2-42.3176.7-53.60000112Q755 V757 R762 E763Q755-T759 PolarHBondContact O-N 2.77Å; Q755-T759 PolarHBondContact O-OG1 2.81Å; V757-T759 PolarHBondContact O-N 3.04Å; T759-R762 WeakPolarHBondContact O-CB 3.32Å; T759-R762 PolarHBondContact O-N 3.16Å; T759-E763 WeakPolarHBondContact O-CG 3.41Å; T759-E763 PolarHBondContact O-N 3.11Å; T759-E763 VanDerWaalsContact O-N 3.1Å
760H87.4Confident83.2Confident36 Ų3656 Ų5617%0.16727%0.272CS..Hα-helixtrans-67.8-35.5179-175.362.8000113.4K742 W744 P756 V757 I758 R762 E763 S764K742-H760 WeakPolarHBondContact CB-NE2 3.2Å; W744-H760 HydrophobicContact CZ2-CB 3.97Å; W744-H760 AromaticContact NE1-CD2 3.78Å; P756-H760 WeakPolarHBondContact O-CB 3.44Å; P756-H760 PolarHBondContact O-N 2.8Å; V757-H760 PolarHBondContact O-N 3.3Å; I758-H760 VanDerWaalsContact C-N 3.31Å; I758-H760 PolarHBondContact O-N 3.03Å; H760-R762 VanDerWaalsContact C-N 3.33Å; H760-E763 PolarHBondContact O-N 2.88Å; H760-S764 VanDerWaalsContact O-CB 3.32Å; H760-S764 WeakPolarHBondContact O-CB 3.24Å; H760-S764 PolarHBondContact O-N 3Å; H760-S764 PolarHBondContact O-OG 3.48Å
761L85.9Confident82.9Confident1 Ų155.4 Ų55.41%0.00527%0.271CS..Hα-helixtrans-61.6-43.6174.9-74172.5000110.7V537 F551 L648 L650 V757 I758 S764 I765V537-L761 HydrophobicContact CG1-CD2 4.48Å; V537-L761 HydrophobicContact CG2-CD2 4.34Å; F551-L761 HydrophobicContact CE1-CD1 3.97Å; F551-L761 HydrophobicContact CZ-CD1 4.09Å; L648-L761 HydrophobicContact CD2-CD2 3.7Å; L650-L761 HydrophobicContact CD1-CD2 4.47Å; L650-L761 HydrophobicContact CD2-CD1 4.23Å; V757-L761 HydrophobicContact CG1-CD1 4.18Å; V757-L761 HydrophobicContact CG1-CG 4.41Å; V757-L761 WeakPolarHBondContact O-CG 3.33Å; V757-L761 PolarHBondContact O-N 3.44Å; I758-L761 PolarHBondContact O-N 3.37Å; L761-S764 PolarHBondContact O-N 3.06Å; L761-I765 WeakPolarHBondContact O-CB 3.28Å; L761-I765 VanDerWaalsContact O-CG1 3.31Å; L761-I765 WeakPolarHBondContact O-CG1 3.44Å; L761-I765 PolarHBondContact O-N 3.44Å
762R85.3Confident82.3Confident70 Ų7056.3 Ų56.326%0.26428%0.275SS..Hα-helixtrans-57.8-55.8173.8179.4177.9168.8151.81.3112.4Y611 D613 I617 I758 T759 H760 S764 I765 D766Y611-R762 HydrophobicContact CE1-CB 3.65Å; Y611-R762 HydrophobicContact CE1-CG 4.12Å; Y611-R762 HydrophobicContact CE2-CB 4.43Å; D613-R762 VanDerWaalsContact CG-NH1 3.29Å; D613-R762 IonicContact OD1-CZ 3.04Å; D613-R762 IonicContact OD1-NH1 3.02Å; D613-R762 PolarHBondContact OD1-NH1 3.07Å; D613-R762 IonicContact OD1-NH2 3.79Å; D613-R762 IonicContact OD2-CZ 2.85Å; D613-R762 VanDerWaalsContact OD2-CZ 3.31Å; D613-R762 IonicContact OD2-NH1 3.73Å; D613-R762 PolarHBondContact OD2-NH1 3.04Å; D613-R762 IonicContact OD2-NH2 2.61Å; D613-R762 PolarHBondContact OD2-NH2 3.12Å; I617-R762 HydrophobicContact CD1-CB 4.15Å; I758-R762 PolarHBondContact O-N 3.2Å; I758-R762 VanDerWaalsContact O-N 3.17Å; T759-R762 WeakPolarHBondContact O-CB 3.32Å; T759-R762 PolarHBondContact O-N 3.16Å; H760-R762 VanDerWaalsContact C-N 3.33Å; R762-S764 PolarHBondContact O-N 2.76Å; R762-I765 PolarHBondContact O-N 3.49Å; R762-I765 VanDerWaalsContact O-N 3.13Å; R762-D766 WeakPolarHBondContact CG-OD2 3.47Å; R762-D766 IonicContact NE-OD2 2.74Å; R762-D766 PolarHBondContact O-N 3.07Å
763E87Confident81.3Confident101 Ų10160.2 Ų60.247%0.47229%0.285SS..Hα-helixtrans-56.3-41.6-179.4-70.4171.8176.700111.7T759 H760 Q767T759-E763 WeakPolarHBondContact O-CG 3.41Å; T759-E763 PolarHBondContact O-N 3.11Å; T759-E763 VanDerWaalsContact O-N 3.1Å; H760-E763 PolarHBondContact O-N 2.88Å; E763-Q767 WeakPolarHBondContact O-CB 3.43Å; E763-Q767 WeakPolarHBondContact O-CG 3.41Å; E763-Q767 PolarHBondContact O-N 3.41Å
764S85.4Confident80.4Confident3 Ų362.4 Ų62.42%0.02129%0.291CS..Hα-helixtrans-66.5-39.8179.2-62.60000112.4H760 L761 R762 L768H760-S764 VanDerWaalsContact O-CB 3.32Å; H760-S764 WeakPolarHBondContact O-CB 3.24Å; H760-S764 PolarHBondContact O-N 3Å; H760-S764 PolarHBondContact O-OG 3.48Å; L761-S764 PolarHBondContact O-N 3.06Å; R762-S764 PolarHBondContact O-N 2.76Å; S764-L768 WeakPolarHBondContact O-CD1 3.43Å; S764-L768 WeakPolarHBondContact O-CG 3.22Å; S764-L768 PolarHBondContact O-N 3.49Å
765I84Confident79.2Confident0 Ų068.1 Ų68.10%032%0.32CS..Hα-helixtrans-71.7-44.5178.9-72.2165.5000110.7D536 V537 I617 L761 R762 Q767 L768 D769D536-I765 HydrophobicContact CB-CD1 4.04Å; V537-I765 HydrophobicContact CG2-CD1 3.69Å; I617-I765 HydrophobicContact CD1-CB 4.45Å; I617-I765 HydrophobicContact CD1-CD1 3.73Å; I617-I765 HydrophobicContact CG1-CD1 4.27Å; I617-I765 HydrophobicContact CG2-CD1 3.49Å; I617-I765 VanDerWaalsContact CG2-CD1 3.49Å; L761-I765 WeakPolarHBondContact O-CB 3.28Å; L761-I765 VanDerWaalsContact O-CG1 3.31Å; L761-I765 WeakPolarHBondContact O-CG1 3.44Å; L761-I765 PolarHBondContact O-N 3.44Å; R762-I765 PolarHBondContact O-N 3.49Å; R762-I765 VanDerWaalsContact O-N 3.13Å; I765-Q767 VanDerWaalsContact C-N 3.31Å; I765-Q767 PolarHBondContact O-N 3.04Å; I765-L768 PolarHBondContact O-N 3.31Å; I765-L768 VanDerWaalsContact O-N 3.15Å; I765-D769 PolarHBondContact O-N 2.74Å
766D83.8Confident77.4Confident48 Ų4868 Ų6826%0.25732%0.318SS..Hα-helixtrans-62.8-38.3179.3-70-21.2000111.4R615 R762 D769 E770R615-D766 IonicContact NE-OD1 3Å; R615-D766 IonicContact NH2-OD1 2.7Å; R615-D766 PolarHBondContact NH2-OD1 3.31Å; R762-D766 WeakPolarHBondContact CG-OD2 3.47Å; R762-D766 IonicContact NE-OD2 2.74Å; R762-D766 PolarHBondContact O-N 3.07Å; D766-D769 PolarHBondContact O-N 3.49Å; D766-E770 PolarHBondContact O-N 3.08Å
767Q83.8Confident75.2Confident105 Ų10571 Ų7149%0.49134%0.335SS..Hα-helixtrans-62.4-44.5172.3-75.9172.27.600112.6E763 I765 D769 E770 E771E763-Q767 WeakPolarHBondContact O-CB 3.43Å; E763-Q767 WeakPolarHBondContact O-CG 3.41Å; E763-Q767 PolarHBondContact O-N 3.41Å; I765-Q767 VanDerWaalsContact C-N 3.31Å; I765-Q767 PolarHBondContact O-N 3.04Å; Q767-D769 VanDerWaalsContact C-N 3.31Å; Q767-D769 PolarHBondContact O-N 3.47Å; Q767-E770 PolarHBondContact O-N 3.4Å; Q767-E771 WeakPolarHBondContact O-CG 3.14Å; Q767-E771 PolarHBondContact O-N 3.49Å
768L80Confident72.7Confident20 Ų2076.5 Ų76.511%0.10536%0.364CS..Hα-helixtrans-65.3-36.2178.1-70.3167.7000111.8P691 S764 I765 K772P691-L768 HydrophobicContact CB-CD1 4.41Å; P691-L768 HydrophobicContact CG-CD1 3.95Å; P691-L768 HydrophobicContact CG-CD2 3.92Å; S764-L768 WeakPolarHBondContact O-CD1 3.43Å; S764-L768 WeakPolarHBondContact O-CG 3.22Å; S764-L768 PolarHBondContact O-N 3.49Å; I765-L768 PolarHBondContact O-N 3.31Å; I765-L768 VanDerWaalsContact O-N 3.15Å; L768-K772 WeakPolarHBondContact O-CB 3.2Å; L768-K772 WeakPolarHBondContact O-CG 3.42Å; L768-K772 PolarHBondContact O-N 3.15Å; L768-K772 VanDerWaalsContact O-N 3.09Å
769D72.2Confident70Confident27 Ų2780.2 Ų80.214%0.14439%0.389CS..Hα-helixtrans-63.3-42.4173.3-87.8-9.9000111.4R615 I765 D766 Q767 R773R615-D769 IonicContact NH2-OD2 2.78Å; R615-D769 PolarHBondContact NH2-OD2 3.31Å; I765-D769 PolarHBondContact O-N 2.74Å; D766-D769 PolarHBondContact O-N 3.49Å; Q767-D769 VanDerWaalsContact C-N 3.31Å; Q767-D769 PolarHBondContact O-N 3.47Å; D769-R773 VanDerWaalsContact O-CG 3.3Å; D769-R773 WeakPolarHBondContact O-CG 3.46Å; D769-R773 PolarHBondContact O-N 3.5Å
770E76.8Confident67.5Low110 Ų11083.6 Ų83.651%0.51441%0.41SS..Hα-helixtrans-65.7-44.3176.1-77.4-172.2-17700113.3D766 Q767 K772 R773 K774D766-E770 PolarHBondContact O-N 3.08Å; Q767-E770 PolarHBondContact O-N 3.4Å; E770-K772 VanDerWaalsContact C-N 3.34Å; E770-K772 PolarHBondContact O-N 2.94Å; E770-R773 PolarHBondContact O-N 3.35Å; E770-K774 WeakPolarHBondContact O-CG 3.41Å; E770-K774 PolarHBondContact O-N 3Å
771E75.1Confident64.7Low108 Ų10888.8 Ų88.851%0.50544%0.439SS..Hα-helixtrans-59.7-45177.1-74.2175.9173.700111.2Q767 R773 K774 L775Q767-E771 WeakPolarHBondContact O-CG 3.14Å; Q767-E771 PolarHBondContact O-N 3.49Å; E771-R773 VanDerWaalsContact C-N 3.34Å; E771-R773 PolarHBondContact O-N 3.22Å; E771-K774 PolarHBondContact O-N 3.25Å; E771-L775 PolarHBondContact O-N 3.18Å; E771-L775 VanDerWaalsContact O-N 3.12Å
772K64.8Low62.2Low100 Ų10096.4 Ų96.444%0.43548%0.479SS..Hα-helixtrans-64.4-36.1175.7-76.3-177176.4-173.50112.7Y647 L768 E770 L775 K776Y647-K772 HydrophobicContact CE1-CD 4.04Å; L768-K772 WeakPolarHBondContact O-CB 3.2Å; L768-K772 WeakPolarHBondContact O-CG 3.42Å; L768-K772 PolarHBondContact O-N 3.15Å; L768-K772 VanDerWaalsContact O-N 3.09Å; E770-K772 VanDerWaalsContact C-N 3.34Å; E770-K772 PolarHBondContact O-N 2.94Å; K772-L775 PolarHBondContact O-N 3.04Å; K772-K776 PolarHBondContact O-N 2.91Å
773R63.1Low59.5Low171 Ų171100.3 Ų100.365%0.64550%0.504SS*.Hα-helixtrans-65.1-43174.6-77.1174.9-172.8174.95.2111.9D769 E770 E771 L775 K776 T777D769-R773 VanDerWaalsContact O-CG 3.3Å; D769-R773 WeakPolarHBondContact O-CG 3.46Å; D769-R773 PolarHBondContact O-N 3.5Å; E770-R773 PolarHBondContact O-N 3.35Å; E771-R773 VanDerWaalsContact C-N 3.34Å; E771-R773 PolarHBondContact O-N 3.22Å; R773-L775 VanDerWaalsContact C-N 3.33Å; R773-L775 PolarHBondContact O-N 2.84Å; R773-K776 PolarHBondContact O-N 3.2Å; R773-T777 PolarHBondContact O-N 3.17Å; R773-T777 PolarHBondContact O-OG1 3.26Å
774K65.1Low56.6Low137 Ų137103.1 Ų103.160%0.59652%0.523SS*.Hα-helixtrans-62.7-37.9177.5-71.8173.5-175.3167.10112.2E770 E771 K776 T777E770-K774 WeakPolarHBondContact O-CG 3.41Å; E770-K774 PolarHBondContact O-N 3Å; E771-K774 PolarHBondContact O-N 3.25Å; K774-K776 VanDerWaalsContact C-N 3.32Å; K774-K776 PolarHBondContact O-N 2.99Å; K774-T777 PolarHBondContact O-N 3.22Å; K774-T777 PolarHBondContact O-OG1 3.12Å
775L56.7Low53.8Low131 Ų131112.7 Ų112.769%0.68656%0.564SS**Hα-helixtrans-63-35.6174.6-104.995.1000113.1E771 K772 R773 T777E771-L775 PolarHBondContact O-N 3.18Å; E771-L775 VanDerWaalsContact O-N 3.12Å; K772-L775 PolarHBondContact O-N 3.04Å; R773-L775 VanDerWaalsContact C-N 3.33Å; R773-L775 PolarHBondContact O-N 2.84Å; L775-T777 VanDerWaalsContact C-N 3.34Å
776K45.2Very low51.2Low125 Ų125121.7 Ų121.754%0.54361%0.606SS.*Hα-helixtrans-74.6-19.8179.7-76.8-177.4178.2179.60114.2H497 K772 R773 K774H497-K776 PolarHBondContact CE1-NZ 3Å; H497-K776 VanDerWaalsContact CG-NZ 3.32Å; H497-K776 PolarHBondContact ND1-NZ 2.91Å; H497-K776 PolarHBondContact NE2-NZ 3.04Å; K772-K776 PolarHBondContact O-N 2.91Å; R773-K776 PolarHBondContact O-N 3.2Å; K774-K776 VanDerWaalsContact C-N 3.32Å; K774-K776 PolarHBondContact O-N 2.99Å
777T40.8Very low48.4Very low116 Ų116126.7 Ų126.771%0.71263%0.633SS**THydrogen-bonded Turntrans-88.8-0.5179.945.60000114.1R773 K774 L775R773-T777 PolarHBondContact O-N 3.17Å; R773-T777 PolarHBondContact O-OG1 3.26Å; K774-T777 PolarHBondContact O-N 3.22Å; K774-T777 PolarHBondContact O-OG1 3.12Å; L775-T777 VanDerWaalsContact C-N 3.34Å
778L33.3Very low45.8Very low120 Ų120128.5 Ų128.563%0.62865%0.652SS**SBendtrans-72.7134.7172.9-82.8148.5000110.3T780L778-T780 PolarHBondContact O-N 3.37Å
779P29.6Very low43.3Very low95 Ų95130.9 Ų130.962%0.61768%0.68SS**  trans-59.3132.3178-17.929.3000111D781P779-D781 PolarHBondContact O-N 2.71Å
780T31.9Very low41.1Very low132 Ų132135.9 Ų135.981%0.8171%0.714SS**SBendtrans-63.910.4178.4110000115.5L778 L782L778-T780 PolarHBondContact O-N 3.37Å; T780-L782 PolarHBondContact O-N 2.93Å
781D29.9Very low38.9Very low145 Ų145139 Ų13978%0.77573%0.734SS**THydrogen-bonded Turntrans-93.215.9-170.4-59.5-24.3000113.5P779P779-D781 PolarHBondContact O-N 2.71Å
782L33.4Very low36.6Very low160 Ų160141.8 Ų141.884%0.83875%0.751SS**THydrogen-bonded Turntrans-134.115-174.4-89160.1000115T780T780-L782 PolarHBondContact O-N 2.93Å
783L28.8Very low34.9Very low152 Ų152148.5 Ų148.580%0.79679%0.791SS**  trans-115.477.9169.9-76.9162000108.8F785L783-F785 PolarHBondContact O-N 3.25Å
784D25.9Very low33.5Very low161 Ų161147.4 Ų147.486%0.86180%0.798SS**  trans-58.2121.1167.1-81.1-37.5000109.3E786D784-E786 PolarHBondContact O-N 2.58Å
785F26.2Very low31.9Very low204 Ų204147.9 Ų147.990%0.89581%0.808SS**  trans-72.1105.2171-82.6-103.8000108.6L783L783-F785 PolarHBondContact O-N 3.25Å
786E28.1Very low30.5Very low189 Ų189148.8 Ų148.888%0.88382%0.815SS**  trans-86106.6157.2-80.7-170.8163.200109.6D784D784-E786 PolarHBondContact O-N 2.58Å
787D26Very low29.6Very low153 Ų153150.2 Ų150.282%0.81883%0.831SS**  trans-5121.3152.3-75.8-41.7000117.3
788T29.8Very low28.9Very low143 Ų143152.4 Ų152.488%0.87784%0.839SS**  trans-156.3112130.231.30000109.9
789G26.9Very low28.6Very low69 Ų69154.5 Ų154.571%0.71185%0.853SS**  trans-74.6-174.4-178.400000115.1
790P26.9Very low28.6Very low132 Ų132158.8 Ų158.886%0.85787%0.87SS**  trans-85135.3-170.534.1-31000111.3
791L30.6Very low28.3Very low175 Ų175160.8 Ų160.892%0.91687%0.874SS**  trans-116.1116.6166.7-99.2158.5000110.2
792L25.8Very low28.2Very low168 Ų168162.2 Ų162.288%0.8888%0.882SS**  trans-59132.5161.1-84.1134.5000110.8
793L30Very low27.7Very low240 Ų240162.4 Ų162.4100%1.25789%0.886SS**  trans-147.30134.5-108.4165.9000108.2

Retrieved 793 of 793 residues in 284.5 ms (Link to these results)

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