A0A087XI65_POEFO Loading...

Peter pan homolog

AlphaFold DB , UniProt , Accession A0A087XI65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 aa.

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

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
1M43.3Very low71.3Confident245 Ų245142.2 Ų142.2100%1.20773%0.729SS**  01140-73.2-62.1-137.800109.8
2G55.8Low72.5Confident79 Ų79135.8 Ų135.881%0.81471%0.707SS**PPolyproline II helixtrans-81135.1174.600000111.5S4G2-S4 PolarHBondContact O-N 3.45Å
3K60Low73.5Confident209 Ų209138.7 Ų138.791%0.90970%0.703SS**PPolyproline II helixtrans-58.1130.7179.5-65.3-178.9179.3179.80110.5K5K3-K5 PolarHBondContact O-N 3.09Å
4S63.7Low74.3Confident115 Ų115133.3 Ų133.380%0.80469%0.69SS**PPolyproline II helixtrans-67.6127-178.750.30000110.9G2 T6G2-S4 PolarHBondContact O-N 3.45Å; S4-T6 PolarHBondContact O-N 3.21Å
5K72.1Confident75.1Confident136 Ų136131.8 Ų131.859%0.59168%0.678SS**PPolyproline II helixtrans-64.3131-178.2-63.3-172.6178.8-173.50110.6K3 Q9 K10K3-K5 PolarHBondContact O-N 3.09Å; K5-Q9 HydrophobicContact CB-CB 4.37Å; K5-K10 WeakPolarHBondContact O-CE 3.47Å
6T80.9Confident75.5Confident79 Ų79127.5 Ų127.549%0.48567%0.669SS.*PPolyproline II helixtrans-65.6159.3-173.163.30000112.1S4 N8 Q9 K10S4-T6 PolarHBondContact O-N 3.21Å; T6-N8 PolarHBondContact O-N 3.45Å; T6-Q9 PolarHBondContact O-N 3.33Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.33Å; T6-Q9 PolarHBondContact OG1-N 3.02Å; T6-K10 PolarHBondContact O-N 3.02Å
7K78.3Confident76.1Confident185 Ų185123.9 Ų123.980%0.80465%0.653SS**Hα-helixtrans-53.5-41179-71.2-175178.1-179.90111.8K10 K11K7-K10 WeakPolarHBondContact O-CB 3.29Å; K7-K10 PolarHBondContact O-N 3.15Å; K7-K11 PolarHBondContact O-N 3.22Å
8N79.7Confident76.4Confident131 Ų131123.2 Ų123.270%0.70165%0.645SS**Hα-helixtrans-66.9-40.2177.8-67.79.4000112.6T6 K10 K11 S12T6-N8 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact C-N 3.26Å; N8-K10 PolarHBondContact O-N 2.97Å; N8-K11 PolarHBondContact O-N 2.91Å; N8-S12 PolarHBondContact O-N 3.19Å; N8-S12 PolarHBondContact O-OG 3.32Å
9Q81.8Confident76.7Confident105 Ų105121.8 Ų121.849%0.49164%0.642SS.*Hα-helixtrans-65.2-27.7173.6-72.3173.9-700113.1K5 T6 R13K5-Q9 HydrophobicContact CB-CB 4.37Å; T6-Q9 PolarHBondContact O-N 3.33Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.33Å; T6-Q9 PolarHBondContact OG1-N 3.02Å; Q9-R13 VanDerWaalsContact O-CB 3.31Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 PolarHBondContact O-N 3.19Å
10K83.8Confident76.9Confident140 Ų140118.8 Ų118.861%0.60964%0.635SS**Hα-helixtrans-73.3-45.5171.3-65.7-177.2-179.5-175.40111.2K5 T6 K7 N8 R13 A14K5-K10 WeakPolarHBondContact O-CE 3.47Å; T6-K10 PolarHBondContact O-N 3.02Å; K7-K10 WeakPolarHBondContact O-CB 3.29Å; K7-K10 PolarHBondContact O-N 3.15Å; N8-K10 VanDerWaalsContact C-N 3.26Å; N8-K10 PolarHBondContact O-N 2.97Å; K10-R13 PolarHBondContact O-N 2.56Å; K10-A14 PolarHBondContact O-N 2.7Å
11K85.4Confident76.9Confident140 Ų140117.7 Ų117.761%0.60963%0.626SS**Hα-helixtrans-63.7-47.6179.1-168.6176.1-178.8179.20112.1K7 N8 R13 A14 Q15K7-K11 PolarHBondContact O-N 3.22Å; N8-K11 PolarHBondContact O-N 2.91Å; K11-R13 VanDerWaalsContact C-N 3.34Å; K11-R13 PolarHBondContact O-N 3.21Å; K11-A14 PolarHBondContact O-N 2.91Å; K11-Q15 WeakPolarHBondContact O-CG 3.31Å; K11-Q15 PolarHBondContact O-N 3.47Å
12S85.6Confident78.5Confident66 Ų66109.1 Ų109.146%0.46259%0.586SS.*Hα-helixtrans-65-3617864.70000112.5N8 Q15 A16N8-S12 PolarHBondContact O-N 3.19Å; N8-S12 PolarHBondContact O-OG 3.32Å; S12-Q15 PolarHBondContact O-N 2.99Å; S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.33Å; S12-A16 PolarHBondContact O-N 3.02Å
13R85.6Confident79.4Confident173 Ų173107.8 Ų107.865%0.65357%0.567SS**Hα-helixtrans-64.9-42.1171.9-173.2-179.1-177.2-157.40.5112Q9 K10 K11 A16 V17Q9-R13 VanDerWaalsContact O-CB 3.31Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 PolarHBondContact O-N 3.19Å; K10-R13 PolarHBondContact O-N 2.56Å; K11-R13 VanDerWaalsContact C-N 3.34Å; K11-R13 PolarHBondContact O-N 3.21Å; R13-A16 PolarHBondContact O-N 3.47Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.45Å
14A84.9Confident80.3Confident63 Ų63103.8 Ų103.852%0.52155%0.547SS..Hα-helixtrans-62.9-43.4177.100000111.6K10 K11 V17 H18K10-A14 PolarHBondContact O-N 2.7Å; K11-A14 PolarHBondContact O-N 2.91Å; A14-V17 PolarHBondContact O-N 3.19Å; A14-H18 PolarHBondContact O-N 2.96Å
15Q85.3Confident80.8Confident111 Ų111105.9 Ų105.952%0.51954%0.537SS..Hα-helixtrans-63.2-42.7174.3-69.1173.3-63.900112K11 S12 V17 H18 V19K11-Q15 WeakPolarHBondContact O-CG 3.31Å; K11-Q15 PolarHBondContact O-N 3.47Å; S12-Q15 PolarHBondContact O-N 2.99Å; Q15-V17 VanDerWaalsContact C-N 3.33Å; Q15-V17 PolarHBondContact O-N 3.06Å; Q15-H18 PolarHBondContact O-N 3.27Å; Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 3.22Å
16A82.4Confident81.2Confident63 Ų63103.9 Ų103.952%0.52154%0.54SS..Hα-helixtrans-65.7-32.7176.300000113.2S12 R13 A20S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.33Å; S12-A16 PolarHBondContact O-N 3.02Å; R13-A16 PolarHBondContact O-N 3.47Å; A16-A20 VanDerWaalsContact O-CB 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.38Å; A16-A20 PolarHBondContact O-N 3.33Å; A16-A20 VanDerWaalsContact O-N 3.07Å
17V85.4Confident81.4Confident66 Ų66101.1 Ų101.140%0.452%0.523SS..Hα-helixtrans-69.1-45.8171.8169.30000110.7R13 A14 Q15 V19 A20 E21R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.45Å; A14-V17 PolarHBondContact O-N 3.19Å; Q15-V17 VanDerWaalsContact C-N 3.33Å; Q15-V17 PolarHBondContact O-N 3.06Å; V17-V19 PolarHBondContact O-N 3.41Å; V17-A20 CarbonylContact O-C 3.57Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.09Å; V17-A20 VanDerWaalsContact O-N 3.13Å; V17-E21 HydrophobicContact CG1-CG 4.43Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.42Å; V17-E21 WeakPolarHBondContact O-CG 3.49Å; V17-E21 PolarHBondContact O-N 2.85Å
18H81.4Confident81.7Confident111 Ų11193.2 Ų93.251%0.51449%0.491SS..Hα-helixtrans-59.2-47.7177.4-160.1-59.3000111.8A14 Q15 A20 E21 D22A14-H18 PolarHBondContact O-N 2.96Å; Q15-H18 PolarHBondContact O-N 3.27Å; H18-A20 VanDerWaalsContact C-N 3.28Å; H18-A20 PolarHBondContact O-N 3.41Å; H18-E21 PolarHBondContact O-N 3.27Å; H18-E21 VanDerWaalsContact O-N 3.15Å; H18-D22 IonicContact CE1-OD1 2.73Å; H18-D22 IonicContact CE1-OD2 2.75Å; H18-D22 PolarHBondContact CE1-OD2 2.95Å; H18-D22 IonicContact CG-OD2 2.54Å; H18-D22 IonicContact ND1-OD1 2.69Å; H18-D22 IonicContact ND1-OD2 3.8Å; H18-D22 PolarHBondContact ND1-OD2 3.23Å; H18-D22 VanDerWaalsContact O-CG 3.3Å; H18-D22 PolarHBondContact O-N 3.14Å
19V82.4Confident82.2Confident98 Ų9887.3 Ų87.359%0.59446%0.459SS*.Hα-helixtrans-62.2-35175.8171.80000111.8Q15 V17 A23Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 3.22Å; V17-V19 PolarHBondContact O-N 3.41Å; V19-A23 WeakPolarHBondContact O-CB 3.42Å; V19-A23 PolarHBondContact O-N 3.27Å
20A79.8Confident82.6Confident60 Ų6082.4 Ų82.450%0.49644%0.436SS..Hα-helixtrans-70.8-37.1174.300000112.6A16 V17 H18 Y24A16-A20 VanDerWaalsContact O-CB 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.38Å; A16-A20 PolarHBondContact O-N 3.33Å; A16-A20 VanDerWaalsContact O-N 3.07Å; V17-A20 CarbonylContact O-C 3.57Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.09Å; V17-A20 VanDerWaalsContact O-N 3.13Å; H18-A20 VanDerWaalsContact C-N 3.28Å; H18-A20 PolarHBondContact O-N 3.41Å; A20-Y24 VanDerWaalsContact O-CB 3.24Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 2.88Å
21E78.1Confident83.1Confident96 Ų9676.1 Ų76.145%0.44941%0.409SS..Hα-helixtrans-68.2-40.8174.6-74.9-179.7-160.400111.9V17 H18 Y24 R25V17-E21 HydrophobicContact CG1-CG 4.43Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.42Å; V17-E21 WeakPolarHBondContact O-CG 3.49Å; V17-E21 PolarHBondContact O-N 2.85Å; H18-E21 PolarHBondContact O-N 3.27Å; H18-E21 VanDerWaalsContact O-N 3.15Å; E21-Y24 PolarHBondContact O-N 2.97Å; E21-R25 WeakPolarHBondContact O-CB 3.23Å; E21-R25 VanDerWaalsContact O-CG 3.27Å; E21-R25 WeakPolarHBondContact O-CG 3.33Å; E21-R25 PolarHBondContact O-N 2.88Å; E21-R25 IonicContact OE2-NH2 3.18Å
22D75.3Confident83.4Confident66 Ų6669.5 Ų69.535%0.35338%0.38SS..Hα-helixtrans-68.2-40.8175.7-63.4-35.5000111.7H18 Y24 R25 S26H18-D22 IonicContact CE1-OD1 2.73Å; H18-D22 IonicContact CE1-OD2 2.75Å; H18-D22 PolarHBondContact CE1-OD2 2.95Å; H18-D22 IonicContact CG-OD2 2.54Å; H18-D22 IonicContact ND1-OD1 2.69Å; H18-D22 IonicContact ND1-OD2 3.8Å; H18-D22 PolarHBondContact ND1-OD2 3.23Å; H18-D22 VanDerWaalsContact O-CG 3.3Å; H18-D22 PolarHBondContact O-N 3.14Å; D22-Y24 VanDerWaalsContact C-N 3.31Å; D22-Y24 PolarHBondContact O-N 3.27Å; D22-R25 PolarHBondContact O-N 3.48Å; D22-R25 IonicContact OD1-NH1 3.22Å; D22-R25 PolarHBondContact OD1-NH1 3.14Å; D22-S26 PolarHBondContact O-N 2.96Å; D22-S26 PolarHBondContact O-OG 3.35Å
23A75.9Confident83.8Confident51 Ų5166.5 Ų66.542%0.42136%0.359SS..Hα-helixtrans-63.4-36.6171.800000112.1V19 S26 V27V19-A23 WeakPolarHBondContact O-CB 3.42Å; V19-A23 PolarHBondContact O-N 3.27Å; A23-S26 PolarHBondContact O-OG 3.13Å; A23-V27 WeakPolarHBondContact O-CG2 3.31Å; A23-V27 PolarHBondContact O-N 3.24Å
24Y77.9Confident84Confident124 Ų12461.1 Ų61.149%0.48634%0.341SS..Hα-helixtrans-67.8-41.4175-170.5-89.6000111.7A20 E21 D22 V27 H29A20-Y24 VanDerWaalsContact O-CB 3.24Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 2.88Å; E21-Y24 PolarHBondContact O-N 2.97Å; D22-Y24 VanDerWaalsContact C-N 3.31Å; D22-Y24 PolarHBondContact O-N 3.27Å; Y24-V27 PolarHBondContact O-N 2.97Å; Y24-H29 AromaticContact CD1-CE1 3.77Å; Y24-H29 AromaticContact CD2-CE1 3.7Å; Y24-H29 AromaticContact CD2-NE2 3.72Å; Y24-H29 AromaticContact CE1-CE1 3.67Å; Y24-H29 AromaticContact CE1-NE2 3.7Å; Y24-H29 AromaticContact CE2-CE1 3.61Å; Y24-H29 AromaticContact CE2-NE2 3.16Å; Y24-H29 WeakPolarHBondContact CE2-NE2 3.48Å; Y24-H29 AromaticContact CG-CE1 3.79Å; Y24-H29 AromaticContact CZ-CD2 3.66Å; Y24-H29 AromaticContact CZ-CE1 3.59Å; Y24-H29 AromaticContact CZ-NE2 3.14Å; Y24-H29 PolarHBondContact O-CE1 3.29Å; Y24-H29 PolarHBondContact O-ND1 2.64Å; Y24-H29 PolarHBondContact OH-NE2 3.32Å
25R76Confident84.1Confident159 Ų15964 Ų6460%0.634%0.339SS*.Hα-helixtrans-67-33.4176.2-73.9168.4-179.7158.23.3113.5E21 D22 V27E21-R25 WeakPolarHBondContact O-CB 3.23Å; E21-R25 VanDerWaalsContact O-CG 3.27Å; E21-R25 WeakPolarHBondContact O-CG 3.33Å; E21-R25 PolarHBondContact O-N 2.88Å; E21-R25 IonicContact OE2-NH2 3.18Å; D22-R25 PolarHBondContact O-N 3.48Å; D22-R25 IonicContact OD1-NH1 3.22Å; D22-R25 PolarHBondContact OD1-NH1 3.14Å; R25-V27 VanDerWaalsContact C-N 3.29Å
26S78.8Confident84.1Confident95 Ų9561.3 Ų61.366%0.66434%0.34SS*.Hα-helixtrans-74.1-20.7178.771.20000113.3D22 A23D22-S26 PolarHBondContact O-N 2.96Å; D22-S26 PolarHBondContact O-OG 3.35Å; A23-S26 PolarHBondContact O-OG 3.13Å
27V84.8Confident84.1Confident21 Ų2165.3 Ų65.313%0.12735%0.349CS..SBendtrans-83.3133.2179.8163.60000111.7A23 Y24 R25 H29 Y56 P164A23-V27 WeakPolarHBondContact O-CG2 3.31Å; A23-V27 PolarHBondContact O-N 3.24Å; Y24-V27 PolarHBondContact O-N 2.97Å; R25-V27 VanDerWaalsContact C-N 3.29Å; V27-H29 PolarHBondContact O-N 2.91Å; V27-H29 PolarHBondContact O-ND1 3.01Å; V27-Y56 HydrophobicContact CG1-CD1 3.6Å; V27-Y56 HydrophobicContact CG1-CD2 3.49Å; V27-Y56 VanDerWaalsContact CG1-CD2 3.49Å; V27-Y56 HydrophobicContact CG1-CE1 3.78Å; V27-Y56 HydrophobicContact CG1-CE2 3.66Å; V27-Y56 HydrophobicContact CG1-CG 3.45Å; V27-Y56 VanDerWaalsContact CG1-CG 3.45Å; V27-P164 HydrophobicContact CG1-CG 4.28Å
28P86.6Confident84Confident19 Ų1963.5 Ų63.512%0.12334%0.337CS..  trans-68.710017826.6-33.6000112.2T82 N161 F163P28-T82 WeakPolarHBondContact CA-OG1 3.27Å; P28-T82 WeakPolarHBondContact CB-OG1 3.5Å; P28-N161 WeakPolarHBondContact CB-O 3.5Å; P28-N161 WeakPolarHBondContact CG-O 3.36Å; P28-F163 VanDerWaalsContact CG-C 3.45Å; P28-F163 WeakPolarHBondContact CG-O 3.32Å
29H89.6Confident84.2Confident6 Ų660.2 Ų60.23%0.02833%0.333CS..EExtended strand (participates in β ladder)trans-79.1143.7175.9-79.579.6000112.5Y24 V27 Y56 V81 T82 H83Y24-H29 AromaticContact CD1-CE1 3.77Å; Y24-H29 AromaticContact CD2-CE1 3.7Å; Y24-H29 AromaticContact CD2-NE2 3.72Å; Y24-H29 AromaticContact CE1-CE1 3.67Å; Y24-H29 AromaticContact CE1-NE2 3.7Å; Y24-H29 AromaticContact CE2-CE1 3.61Å; Y24-H29 AromaticContact CE2-NE2 3.16Å; Y24-H29 WeakPolarHBondContact CE2-NE2 3.48Å; Y24-H29 AromaticContact CG-CE1 3.79Å; Y24-H29 AromaticContact CZ-CD2 3.66Å; Y24-H29 AromaticContact CZ-CE1 3.59Å; Y24-H29 AromaticContact CZ-NE2 3.14Å; Y24-H29 PolarHBondContact O-CE1 3.29Å; Y24-H29 PolarHBondContact O-ND1 2.64Å; Y24-H29 PolarHBondContact OH-NE2 3.32Å; V27-H29 PolarHBondContact O-N 2.91Å; V27-H29 PolarHBondContact O-ND1 3.01Å; H29-Y56 PolarHBondContact CD2-O 2.93Å; H29-Y56 AromaticContact CE1-CD1 3.85Å; H29-Y56 AromaticContact NE2-CD1 3.43Å; H29-Y56 WeakPolarHBondContact NE2-CD1 3.35Å; H29-Y56 AromaticContact NE2-CG 3.97Å; H29-V81 HydrophobicContact CB-CG2 4.34Å; H29-T82 PolarHBondContact N-OG1 2.81Å; H29-T82 PolarHBondContact O-N 3.03Å; H29-T82 PolarHBondContact O-OG1 3Å; H29-H83 PolarHBondContact O-N 3.07Å; H29-H83 VanDerWaalsContact O-N 3.16Å
30S90.6Very high84.5Confident2 Ų264.4 Ų64.41%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-123.2138.8-174.1-72.40000113.5Y56 T57 H83S30-Y56 PolarHBondContact N-O 3.46Å; S30-T57 WeakPolarHBondContact O-CA 3.29Å; S30-T57 PolarHBondContact O-OG1 3.26Å; S30-H83 CarbonylContact C-O 3.57Å; S30-H83 WeakPolarHBondContact CA-O 3.32Å
31F92.7Very high85Confident9 Ų965.6 Ų65.64%0.03934%0.342CS..EExtended strand (participates in β ladder)trans-111.1120.4168-85.31.9000110.6F33 A58 L61 V75 L79 V81 H83 F84 V85F31-F33 HydrophobicContact CB-CD1 4.2Å; F31-F33 HydrophobicContact CB-CE1 4.35Å; F31-A58 HydrophobicContact CD1-CB 3.87Å; F31-A58 HydrophobicContact CE1-CB 3.54Å; F31-L61 HydrophobicContact CB-CD2 4.31Å; F31-L61 HydrophobicContact CD1-CD2 4.29Å; F31-L61 HydrophobicContact CD2-CD2 4.06Å; F31-L61 HydrophobicContact CE2-CD2 4.43Å; F31-L61 HydrophobicContact CG-CD2 3.97Å; F31-V75 HydrophobicContact CE2-CG1 4.11Å; F31-V75 HydrophobicContact CZ-CG1 4.23Å; F31-L79 HydrophobicContact CZ-CD1 3.85Å; F31-V81 HydrophobicContact CB-CG1 4.04Å; F31-V81 HydrophobicContact CD1-CG1 3.94Å; F31-V81 HydrophobicContact CD1-CG2 3.81Å; F31-V81 HydrophobicContact CD2-CG1 4.19Å; F31-V81 HydrophobicContact CD2-CG2 4.44Å; F31-V81 HydrophobicContact CE1-CG1 4.49Å; F31-V81 HydrophobicContact CE1-CG2 3.53Å; F31-V81 HydrophobicContact CE2-CG2 4.2Å; F31-V81 HydrophobicContact CG-CG1 3.78Å; F31-V81 HydrophobicContact CG-CG2 4.28Å; F31-V81 HydrophobicContact CZ-CG2 3.76Å; F31-H83 PolarHBondContact N-O 2.89Å; F31-F84 HydrophobicContact CB-CD1 3.75Å; F31-F84 HydrophobicContact CB-CE1 3.96Å; F31-F84 HydrophobicContact CD2-CD1 4.37Å; F31-F84 AromaticContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CZ 4.31Å; F31-F84 HydrophobicContact CG-CD1 4.46Å; F31-F84 HydrophobicContact CG-CE1 4.18Å; F31-F84 CarbonylContact O-C 3.58Å; F31-F84 WeakPolarHBondContact O-CA 3.42Å; F31-V85 PolarHBondContact O-N 3.14Å
32V92.9Very high85.6Confident1 Ų161.3 Ų61.31%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-108.7117.7177.3-174.90000109.2V46 M49 R50 M53 T57 V85 F87V32-V46 HydrophobicContact CG1-CG1 4.41Å; V32-M49 HydrophobicContact CG1-CB 3.93Å; V32-M49 HydrophobicContact CG1-CG 3.82Å; V32-M49 HydrophobicContact CG2-CG 4.38Å; V32-R50 HydrophobicContact CB-CG 3.75Å; V32-R50 HydrophobicContact CG1-CG 4.2Å; V32-R50 HydrophobicContact CG2-CG 4.4Å; V32-R50 VanDerWaalsContact O-CZ 3.28Å; V32-R50 PolarHBondContact O-NE 3.38Å; V32-R50 PolarHBondContact O-NH2 3.32Å; V32-M53 HydrophobicContact CG2-CB 4.44Å; V32-M53 HydrophobicContact CG2-CG 4.15Å; V32-T57 HydrophobicContact CG2-CG2 4.08Å; V32-V85 WeakPolarHBondContact CA-O 3.33Å; V32-V85 HydrophobicContact CB-CB 4.43Å; V32-V85 HydrophobicContact CG1-CB 4.23Å; V32-V85 HydrophobicContact CG1-CG1 4.41Å; V32-V85 HydrophobicContact CG2-CB 4.13Å; V32-V85 HydrophobicContact CG2-CG2 4.29Å; V32-F87 HydrophobicContact CG1-CD2 4.4Å; V32-F87 HydrophobicContact CG1-CE2 3.97Å
33F92.5Very high86.3Confident3 Ų358.8 Ų58.81%0.01331%0.312CS..EExtended strand (participates in β ladder)trans-150.1172.9-176.463.4-86.6000114.5F31 L61 V63 L69 F72 F84 V85 I86 F87F31-F33 HydrophobicContact CB-CD1 4.2Å; F31-F33 HydrophobicContact CB-CE1 4.35Å; F33-L61 HydrophobicContact CB-CD2 4.45Å; F33-V63 HydrophobicContact CB-CG2 3.7Å; F33-V63 HydrophobicContact CD2-CG2 4.49Å; F33-V63 HydrophobicContact CG-CG2 4.4Å; F33-L69 HydrophobicContact CZ-CD1 4.01Å; F33-F72 HydrophobicContact CD2-CD2 4.34Å; F33-F72 HydrophobicContact CD2-CE2 4.16Å; F33-F72 HydrophobicContact CD2-CZ 4.33Å; F33-F72 HydrophobicContact CE1-CB 4.44Å; F33-F72 HydrophobicContact CE1-CD1 4.48Å; F33-F72 HydrophobicContact CE1-CG 4.28Å; F33-F72 AromaticContact CE2-CD2 3.71Å; F33-F72 HydrophobicContact CE2-CD2 3.71Å; F33-F72 AromaticContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CG 4.09Å; F33-F72 HydrophobicContact CE2-CZ 4.49Å; F33-F72 HydrophobicContact CZ-CB 4.09Å; F33-F72 HydrophobicContact CZ-CD1 4.44Å; F33-F72 AromaticContact CZ-CD2 3.91Å; F33-F72 HydrophobicContact CZ-CD2 3.91Å; F33-F72 AromaticContact CZ-CG 3.87Å; F33-F72 HydrophobicContact CZ-CG 3.87Å; F33-F84 HydrophobicContact CE1-CB 4.12Å; F33-F84 HydrophobicContact CE1-CD1 4.25Å; F33-F84 AromaticContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CE2 4.2Å; F33-F84 AromaticContact CE1-CG 3.78Å; F33-F84 HydrophobicContact CE1-CG 3.78Å; F33-F84 AromaticContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CE2 4.18Å; F33-F84 HydrophobicContact CZ-CG 4.3Å; F33-V85 PolarHBondContact N-O 2.88Å; F33-I86 HydrophobicContact CD2-CG2 4.2Å; F33-I86 HydrophobicContact CE1-CD1 4.41Å; F33-I86 HydrophobicContact CE1-CG1 3.98Å; F33-I86 HydrophobicContact CE2-CD1 4.12Å; F33-I86 HydrophobicContact CE2-CG1 4.02Å; F33-I86 HydrophobicContact CE2-CG2 3.91Å; F33-I86 HydrophobicContact CZ-CD1 3.7Å; F33-I86 HydrophobicContact CZ-CG1 3.66Å; F33-I86 HydrophobicContact CZ-CG2 4.43Å; F33-I86 WeakPolarHBondContact O-CA 3.3Å; F33-F87 PolarHBondContact O-N 3.46Å
34Q91.3Very high87.1Confident59 Ų5958.5 Ų58.528%0.27630%0.302SS..EExtended strand (participates in β ladder)trans-109.6146177.762-167.942.600111.7V38 V46 F87Q34-V38 HydrophobicContact CB-CG1 4.36Å; Q34-V38 HydrophobicContact CB-CG2 3.75Å; Q34-V38 HydrophobicContact CG-CG2 3.95Å; Q34-V46 HydrophobicContact CB-CG2 4.16Å; Q34-F87 CarbonylContact C-O 3.47Å; Q34-F87 WeakPolarHBondContact CA-O 3.39Å
35R87.3Confident87.8Confident124 Ų12452.6 Ų52.647%0.46828%0.279SS..EExtended strand (participates in β ladder)trans-122.9137174.7-178.2174.8175.6173.1-1.3110.5I86 F87R35-I86 HydrophobicContact CB-CG2 3.77Å; R35-F87 PolarHBondContact N-O 3.34Å
36G84.2Confident88.6Confident54 Ų5445.2 Ų45.256%0.55725%0.252SS*.SBendtrans79.9-161.2-17900000113.5V38G36-V38 PolarHBondContact O-N 3.34Å
37Q82.4Confident89.2Confident148 Ų14846.2 Ų46.269%0.69225%0.246SC*.SBendtrans-89.2102.7177.9-54.8-148.673.800109.7
38V84.6Confident89.6Confident27 Ų2745.6 Ų45.616%0.16424%0.241CC..  trans-111.6147.5177.4-52.40000111.3Q34 G36 V42 K89Q34-V38 HydrophobicContact CB-CG1 4.36Å; Q34-V38 HydrophobicContact CB-CG2 3.75Å; Q34-V38 HydrophobicContact CG-CG2 3.95Å; G36-V38 PolarHBondContact O-N 3.34Å; V38-V42 HydrophobicContact CB-CB 3.95Å; V38-V42 HydrophobicContact CB-CG1 3.9Å; V38-V42 HydrophobicContact CG1-CG1 4.2Å; V38-V42 HydrophobicContact CG2-CB 4.2Å; V38-V42 HydrophobicContact CG2-CG1 4.1Å; V38-K89 HydrophobicContact CG1-CB 4.11Å
39G85.4Confident89.8Confident42 Ų4245 Ų4543%0.43324%0.237SC..  trans-75.2168.1-179.800000113.9N41 V42 G43G39-N41 PolarHBondContact O-N 3.01Å; G39-N41 VanDerWaalsContact O-N 3.13Å; G39-V42 PolarHBondContact O-N 2.93Å; G39-V42 VanDerWaalsContact O-N 3.14Å; G39-G43 PolarHBondContact O-N 3.44Å
40K88.5Confident89.9Confident186 Ų18645.8 Ų45.881%0.80924%0.24SC*.Hα-helixtrans-52.3-36-179.4-67.1177.8-178.8173.60113.2G43 Q44K40-G43 PolarHBondContact O-N 2.87Å; K40-Q44 WeakPolarHBondContact O-CG 3.36Å; K40-Q44 PolarHBondContact O-N 3Å; K40-Q44 PolarHBondContact O-NE2 2.81Å
41N90.6Very high89.9Confident86 Ų8649.1 Ų49.146%0.4625%0.254SS..Hα-helixtrans-69.9-44.5-178.3-58.116.5000111.3G39 G43 Q44 L45 Y114G39-N41 PolarHBondContact O-N 3.01Å; G39-N41 VanDerWaalsContact O-N 3.13Å; N41-G43 VanDerWaalsContact C-N 3.31Å; N41-G43 PolarHBondContact O-N 3.16Å; N41-Q44 WeakPolarHBondContact O-CB 3.49Å; N41-Q44 PolarHBondContact O-N 3.24Å; N41-Q44 VanDerWaalsContact O-N 3.12Å; N41-L45 PolarHBondContact O-N 2.94Å; N41-Y114 HydrophobicContact CB-CE2 4.37Å
42V89.9Confident89.8Confident5 Ų548.7 Ų48.73%0.0325%0.252CS..Hα-helixtrans-65-37.2174.9-177.40000110.7V38 G39 Q44 L45 V46 F87 I94V38-V42 HydrophobicContact CB-CB 3.95Å; V38-V42 HydrophobicContact CB-CG1 3.9Å; V38-V42 HydrophobicContact CG1-CG1 4.2Å; V38-V42 HydrophobicContact CG2-CB 4.2Å; V38-V42 HydrophobicContact CG2-CG1 4.1Å; G39-V42 PolarHBondContact O-N 2.93Å; G39-V42 VanDerWaalsContact O-N 3.14Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.13Å; V42-L45 PolarHBondContact O-N 3.49Å; V42-V46 VanDerWaalsContact O-CG2 3.23Å; V42-V46 WeakPolarHBondContact O-CG2 3.5Å; V42-V46 PolarHBondContact O-N 3Å; V42-F87 HydrophobicContact CG1-CB 4.1Å; V42-I94 HydrophobicContact CG2-CD1 3.78Å; V42-I94 HydrophobicContact CG2-CG1 4.16Å
43G90.7Very high89.5Confident14 Ų1449.1 Ų49.114%0.14425%0.254CS..Hα-helixtrans-62.5-32.9172.600000113.7G39 K40 N41 Q47G39-G43 PolarHBondContact O-N 3.44Å; K40-G43 PolarHBondContact O-N 2.87Å; N41-G43 VanDerWaalsContact C-N 3.31Å; N41-G43 PolarHBondContact O-N 3.16Å; G43-Q47 WeakPolarHBondContact O-CG 3.4Å; G43-Q47 PolarHBondContact O-N 2.81Å
44Q92Very high89.3Confident45 Ų4551.1 Ų51.121%0.2126%0.264CS..Hα-helixtrans-74.3-42171.6-74.2174.788.200111.7K40 N41 V42 V46 Q47 D48 L116K40-Q44 WeakPolarHBondContact O-CG 3.36Å; K40-Q44 PolarHBondContact O-N 3Å; K40-Q44 PolarHBondContact O-NE2 2.81Å; N41-Q44 WeakPolarHBondContact O-CB 3.49Å; N41-Q44 PolarHBondContact O-N 3.24Å; N41-Q44 VanDerWaalsContact O-N 3.12Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.13Å; Q44-V46 VanDerWaalsContact C-N 3.26Å; Q44-V46 PolarHBondContact O-N 3.09Å; Q44-Q47 CarbonylContact O-C 3.58Å; Q44-Q47 WeakPolarHBondContact O-CA 3.41Å; Q44-Q47 WeakPolarHBondContact O-CB 3.27Å; Q44-Q47 PolarHBondContact O-N 3.39Å; Q44-D48 PolarHBondContact O-N 3.34Å; Q44-L116 HydrophobicContact CB-CD1 4.03Å; Q44-L116 HydrophobicContact CB-CD2 4.2Å
45L92.9Very high89Confident0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-57.5-38.5174.4-173.863.8000112.1N41 V42 D48 M49 F87 Y114 L116 P276 M278N41-L45 PolarHBondContact O-N 2.94Å; V42-L45 PolarHBondContact O-N 3.49Å; L45-D48 PolarHBondContact O-N 2.94Å; L45-M49 WeakPolarHBondContact O-CB 3.49Å; L45-M49 PolarHBondContact O-N 2.9Å; L45-F87 HydrophobicContact CD2-CD1 4.27Å; L45-F87 HydrophobicContact CD2-CE1 3.9Å; L45-F87 HydrophobicContact CG-CE1 4.27Å; L45-Y114 HydrophobicContact CD2-CD2 4.02Å; L45-Y114 HydrophobicContact CD2-CG 4.31Å; L45-L116 HydrophobicContact CB-CD2 3.87Å; L45-L116 HydrophobicContact CD1-CD2 4.35Å; L45-P276 HydrophobicContact CD1-CB 3.71Å; L45-P276 HydrophobicContact CD1-CG 4Å; L45-M278 HydrophobicContact CD1-CG 4.39Å; L45-M278 HydrophobicContact CD1-SD 3.99Å; L45-M278 HydrophobicContact CD2-CE 4.12Å; L45-M278 HydrophobicContact CD2-SD 4.17Å; L45-M278 HydrophobicContact CG-SD 4.41Å
46V92.6Very high89Confident4 Ų448.2 Ų48.22%0.02426%0.257CS..Hα-helixtrans-63.6-40.81731690000111.7V32 Q34 V42 Q44 R50 F87V32-V46 HydrophobicContact CG1-CG1 4.41Å; Q34-V46 HydrophobicContact CB-CG2 4.16Å; V42-V46 VanDerWaalsContact O-CG2 3.23Å; V42-V46 WeakPolarHBondContact O-CG2 3.5Å; V42-V46 PolarHBondContact O-N 3Å; Q44-V46 VanDerWaalsContact C-N 3.26Å; Q44-V46 PolarHBondContact O-N 3.09Å; V46-R50 VanDerWaalsContact O-CG 3.27Å; V46-R50 WeakPolarHBondContact O-CG 3.4Å; V46-R50 PolarHBondContact O-N 3.23Å; V46-F87 HydrophobicContact CG2-CB 3.89Å; V46-F87 HydrophobicContact CG2-CD2 3.6Å; V46-F87 HydrophobicContact CG2-CE2 4.38Å; V46-F87 HydrophobicContact CG2-CG 3.91Å
47Q91.3Very high89.1Confident116 Ų11646.2 Ų46.254%0.54224%0.235SC..Hα-helixtrans-69.2-36.4175.2-69172.915.900112.2G43 Q44 R50 K51G43-Q47 WeakPolarHBondContact O-CG 3.4Å; G43-Q47 PolarHBondContact O-N 2.81Å; Q44-Q47 CarbonylContact O-C 3.58Å; Q44-Q47 WeakPolarHBondContact O-CA 3.41Å; Q44-Q47 WeakPolarHBondContact O-CB 3.27Å; Q44-Q47 PolarHBondContact O-N 3.39Å; Q47-R50 WeakPolarHBondContact O-CB 3.4Å; Q47-R50 PolarHBondContact O-N 2.61Å; Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.85Å
48D92.3Very high89.1Confident7 Ų740.7 Ų40.74%0.03721%0.214CC..Hα-helixtrans-70.7-42.8178.3-74.4-13.3000111.3Q44 L45 R50 K51 V52 I117 P276Q44-D48 PolarHBondContact O-N 3.34Å; L45-D48 PolarHBondContact O-N 2.94Å; D48-R50 VanDerWaalsContact C-N 3.31Å; D48-R50 PolarHBondContact O-N 3.24Å; D48-K51 WeakPolarHBondContact O-CB 3.42Å; D48-K51 PolarHBondContact O-N 2.81Å; D48-K51 IonicContact OD1-NZ 2.65Å; D48-K51 PolarHBondContact OD1-NZ 2.84Å; D48-V52 PolarHBondContact O-N 2.81Å; D48-V52 VanDerWaalsContact O-N 3.13Å; D48-I117 HydrophobicContact CB-CB 4.49Å; D48-I117 HydrophobicContact CB-CD1 3.55Å; D48-I117 HydrophobicContact CB-CG1 3.75Å; D48-I117 VanDerWaalsContact CG-CD1 3.5Å; D48-I117 VanDerWaalsContact CG-CG1 3.48Å; D48-I117 WeakPolarHBondContact OD2-CB 3.2Å; D48-I117 WeakPolarHBondContact OD2-CG1 3.28Å; D48-I117 PolarHBondContact OD2-N 2.96Å; D48-P276 HydrophobicContact CB-CG 4.2Å
49M91.6Very high88.9Confident7 Ų743 Ų433%0.03423%0.228CC..Hα-helixtrans-64.4-33.6172-173.261176.100112.1V32 L45 K51 V52 M53 F87 F193V32-M49 HydrophobicContact CG1-CB 3.93Å; V32-M49 HydrophobicContact CG1-CG 3.82Å; V32-M49 HydrophobicContact CG2-CG 4.38Å; L45-M49 WeakPolarHBondContact O-CB 3.49Å; L45-M49 PolarHBondContact O-N 2.9Å; M49-K51 VanDerWaalsContact C-N 3.31Å; M49-K51 PolarHBondContact O-N 2.96Å; M49-V52 PolarHBondContact O-N 3.26Å; M49-V52 HydrophobicContact SD-CB 4.32Å; M49-M53 HydrophobicContact CE-CG 4.14Å; M49-M53 HydrophobicContact CE-SD 4.12Å; M49-M53 WeakPolarHBondContact O-CG 3.41Å; M49-M53 PolarHBondContact O-N 2.87Å; M49-M53 VanDerWaalsContact O-N 3.12Å; M49-F87 HydrophobicContact CB-CE2 4.17Å; M49-F87 HydrophobicContact CB-CZ 4.3Å; M49-F87 HydrophobicContact CG-CE2 4.11Å; M49-F87 HydrophobicContact CG-CZ 4.22Å; M49-F193 HydrophobicContact CE-CE2 4.29Å; M49-F193 HydrophobicContact CE-CZ 4.22Å; M49-F193 HydrophobicContact SD-CE1 4.36Å; M49-F193 HydrophobicContact SD-CE2 4.39Å; M49-F193 HydrophobicContact SD-CZ 3.73Å
50R91.9Very high88.8Confident22 Ų2245.9 Ų45.98%0.08324%0.242CC..Hα-helixtrans-59.9-38.1169-77.4172.2-174.2-165.61.1112.9V32 V46 Q47 D48 M53 Q54 T57 V59 L61V32-R50 HydrophobicContact CB-CG 3.75Å; V32-R50 HydrophobicContact CG1-CG 4.2Å; V32-R50 HydrophobicContact CG2-CG 4.4Å; V32-R50 VanDerWaalsContact O-CZ 3.28Å; V32-R50 PolarHBondContact O-NE 3.38Å; V32-R50 PolarHBondContact O-NH2 3.32Å; V46-R50 VanDerWaalsContact O-CG 3.27Å; V46-R50 WeakPolarHBondContact O-CG 3.4Å; V46-R50 PolarHBondContact O-N 3.23Å; Q47-R50 WeakPolarHBondContact O-CB 3.4Å; Q47-R50 PolarHBondContact O-N 2.61Å; D48-R50 VanDerWaalsContact C-N 3.31Å; D48-R50 PolarHBondContact O-N 3.24Å; R50-M53 PolarHBondContact O-N 3.48Å; R50-Q54 WeakPolarHBondContact O-CG 3.44Å; R50-Q54 PolarHBondContact O-N 3.47Å; R50-T57 HydrophobicContact CB-CG2 4.35Å; R50-T57 HydrophobicContact CG-CG2 4.08Å; R50-V59 PolarHBondContact NH1-O 3.34Å; R50-L61 VanDerWaalsContact CZ-O 3.24Å; R50-L61 PolarHBondContact NH1-O 3.01Å; R50-L61 PolarHBondContact NH2-O 2.75Å
51K89.7Confident88.7Confident72 Ų7238.6 Ų38.631%0.31321%0.212SC..Hα-helixtrans-65.5-44.4175.9-63.1164.7-166.9161.30110.9Q47 D48 M49 M53 Q54 I117 F134Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.85Å; D48-K51 WeakPolarHBondContact O-CB 3.42Å; D48-K51 PolarHBondContact O-N 2.81Å; D48-K51 IonicContact OD1-NZ 2.65Å; D48-K51 PolarHBondContact OD1-NZ 2.84Å; M49-K51 VanDerWaalsContact C-N 3.31Å; M49-K51 PolarHBondContact O-N 2.96Å; K51-M53 VanDerWaalsContact C-N 3.27Å; K51-M53 PolarHBondContact O-N 3.1Å; K51-Q54 WeakPolarHBondContact O-CB 3.37Å; K51-Q54 PolarHBondContact O-N 3.14Å; K51-I117 HydrophobicContact CD-CD1 4.02Å; K51-F134 HydrophobicContact CB-CD1 4.24Å; K51-F134 HydrophobicContact CB-CE1 3.96Å; K51-F134 WeakPolarHBondContact O-CD1 3.46Å
52V90.3Very high88.4Confident1 Ų143.7 Ų43.71%0.00623%0.23CC..Hα-helixtrans-54.4-46.6176.2179.60000110.6D48 M49 Q54 R178 V180 F193 H195D48-V52 PolarHBondContact O-N 2.81Å; D48-V52 VanDerWaalsContact O-N 3.13Å; M49-V52 PolarHBondContact O-N 3.26Å; M49-V52 HydrophobicContact SD-CB 4.32Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.14Å; V52-R178 PolarHBondContact O-NH1 2.85Å; V52-V180 HydrophobicContact CG1-CG2 3.51Å; V52-F193 HydrophobicContact CG1-CZ 4.21Å; V52-F193 HydrophobicContact CG2-CZ 4.43Å; V52-H195 HydrophobicContact CG1-CB 4.44Å; V52-H195 HydrophobicContact CG2-CB 4.29Å
53M88.4Confident88.3Confident9 Ų945.4 Ų45.44%0.04424%0.24CC..THydrogen-bonded Turntrans-83.311.5-175.9-56.6-57.2-61.200115.2V32 M49 R50 K51 Y56 T57 M162 F163V32-M53 HydrophobicContact CG2-CB 4.44Å; V32-M53 HydrophobicContact CG2-CG 4.15Å; M49-M53 HydrophobicContact CE-CG 4.14Å; M49-M53 HydrophobicContact CE-SD 4.12Å; M49-M53 WeakPolarHBondContact O-CG 3.41Å; M49-M53 PolarHBondContact O-N 2.87Å; M49-M53 VanDerWaalsContact O-N 3.12Å; R50-M53 PolarHBondContact O-N 3.48Å; K51-M53 VanDerWaalsContact C-N 3.27Å; K51-M53 PolarHBondContact O-N 3.1Å; M53-Y56 PolarHBondContact O-N 2.77Å; M53-T57 HydrophobicContact CB-CG2 4.32Å; M53-T57 WeakPolarHBondContact CB-OG1 3.5Å; M53-T57 VanDerWaalsContact O-CB 3.3Å; M53-T57 WeakPolarHBondContact O-CB 3.44Å; M53-T57 PolarHBondContact O-OG1 3.33Å; M53-M162 HydrophobicContact CE-CE 3.84Å; M53-M162 HydrophobicContact CE-CG 3.7Å; M53-M162 HydrophobicContact CE-SD 3.99Å; M53-M162 HydrophobicContact SD-CE 3.96Å; M53-F163 HydrophobicContact CE-CD1 4.1Å; M53-F163 HydrophobicContact CE-CE1 3.47Å; M53-F163 VanDerWaalsContact CE-CE1 3.47Å; M53-F163 HydrophobicContact CE-CZ 3.75Å; M53-F163 HydrophobicContact SD-CE1 3.52Å; M53-F163 VanDerWaalsContact SD-CE1 3.52Å; M53-F163 HydrophobicContact SD-CZ 3.5Å; M53-F163 VanDerWaalsContact SD-CZ 3.5Å
54Q86.7Confident88Confident45 Ų4554.2 Ų54.221%0.2127%0.269CS..  trans-69.7151169.7-68.7-177.31800111.2R50 K51 V52 V59 F134 R178R50-Q54 WeakPolarHBondContact O-CG 3.44Å; R50-Q54 PolarHBondContact O-N 3.47Å; K51-Q54 WeakPolarHBondContact O-CB 3.37Å; K51-Q54 PolarHBondContact O-N 3.14Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.14Å; Q54-V59 HydrophobicContact CG-CG2 3.9Å; Q54-F134 CarbonylContact C-O 3.6Å; Q54-F134 HydrophobicContact CB-CB 4.25Å; Q54-F134 WeakPolarHBondContact CB-O 3.34Å; Q54-R178 PolarHBondContact O-NH2 2.82Å
55P85.6Confident87.5Confident52 Ų5260 Ų6034%0.33829%0.293SS..SBendcis-82.7-19.21.733.3-37.1000114.6T57P55-T57 PolarHBondContact O-N 3.1Å
56Y86.8Confident87.2Confident70 Ų7069.3 Ų69.328%0.27533%0.334SS..SBendtrans-80.236.9-166.9-52.1-56.5000114.6V27 H29 S30 M53 H137 P164V27-Y56 HydrophobicContact CG1-CD1 3.6Å; V27-Y56 HydrophobicContact CG1-CD2 3.49Å; V27-Y56 VanDerWaalsContact CG1-CD2 3.49Å; V27-Y56 HydrophobicContact CG1-CE1 3.78Å; V27-Y56 HydrophobicContact CG1-CE2 3.66Å; V27-Y56 HydrophobicContact CG1-CG 3.45Å; V27-Y56 VanDerWaalsContact CG1-CG 3.45Å; H29-Y56 PolarHBondContact CD2-O 2.93Å; H29-Y56 AromaticContact CE1-CD1 3.85Å; H29-Y56 AromaticContact NE2-CD1 3.43Å; H29-Y56 WeakPolarHBondContact NE2-CD1 3.35Å; H29-Y56 AromaticContact NE2-CG 3.97Å; S30-Y56 PolarHBondContact N-O 3.46Å; M53-Y56 PolarHBondContact O-N 2.77Å; Y56-H137 HydrophobicContact CD2-CB 4.29Å; Y56-H137 HydrophobicContact CE2-CB 4.01Å; Y56-P164 HydrophobicContact CD2-CG 4.06Å; Y56-P164 HydrophobicContact CE2-CG 3.73Å
57T86.1Confident86.9Confident13 Ų1371.8 Ų71.88%0.0835%0.347CS..BIsolated β-bridgetrans-138.7136.6-177.1-69.30000112.1S30 V32 R50 M53 P55 V59S30-T57 WeakPolarHBondContact O-CA 3.29Å; S30-T57 PolarHBondContact O-OG1 3.26Å; V32-T57 HydrophobicContact CG2-CG2 4.08Å; R50-T57 HydrophobicContact CB-CG2 4.35Å; R50-T57 HydrophobicContact CG-CG2 4.08Å; M53-T57 HydrophobicContact CB-CG2 4.32Å; M53-T57 WeakPolarHBondContact CB-OG1 3.5Å; M53-T57 VanDerWaalsContact O-CB 3.3Å; M53-T57 WeakPolarHBondContact O-CB 3.44Å; M53-T57 PolarHBondContact O-OG1 3.33Å; P55-T57 PolarHBondContact O-N 3.1Å; T57-V59 VanDerWaalsContact C-N 3.34Å; T57-V59 PolarHBondContact O-N 2.89Å
58A83.1Confident86.7Confident32 Ų3271.5 Ų71.526%0.26435%0.348SS..  trans-71.482.5176.700000112.5F31 S60 L61F31-A58 HydrophobicContact CD1-CB 3.87Å; F31-A58 HydrophobicContact CE1-CB 3.54Å; A58-S60 PolarHBondContact O-N 2.95Å; A58-L61 HydrophobicContact CB-CB 4.05Å; A58-L61 VanDerWaalsContact O-CB 3.28Å; A58-L61 WeakPolarHBondContact O-CB 3.4Å; A58-L61 PolarHBondContact O-N 2.98Å; A58-L61 VanDerWaalsContact O-N 3.16Å
59V81.4Confident86.3Confident74 Ų7472.5 Ų72.545%0.44835%0.354SS..THydrogen-bonded Turntrans-52.3-41.7179.7-1740000112R50 Q54 T57 L61R50-V59 PolarHBondContact NH1-O 3.34Å; Q54-V59 HydrophobicContact CG-CG2 3.9Å; T57-V59 VanDerWaalsContact C-N 3.34Å; T57-V59 PolarHBondContact O-N 2.89Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.65Å
60S82.4Confident86Confident104 Ų10480 Ų8073%0.72739%0.386SS*.THydrogen-bonded Turntrans-81.10-175.555.50000115.4A58 K62A58-S60 PolarHBondContact O-N 2.95Å; S60-K62 PolarHBondContact O-N 2.73Å
61L86Confident85.8Confident33 Ų3381.9 Ų81.917%0.17340%0.398CS..  trans-61.3103.8-175.3-179.166.9000112.2F31 F33 R50 A58 V59 F72F31-L61 HydrophobicContact CB-CD2 4.31Å; F31-L61 HydrophobicContact CD1-CD2 4.29Å; F31-L61 HydrophobicContact CD2-CD2 4.06Å; F31-L61 HydrophobicContact CE2-CD2 4.43Å; F31-L61 HydrophobicContact CG-CD2 3.97Å; F33-L61 HydrophobicContact CB-CD2 4.45Å; R50-L61 VanDerWaalsContact CZ-O 3.24Å; R50-L61 PolarHBondContact NH1-O 3.01Å; R50-L61 PolarHBondContact NH2-O 2.75Å; A58-L61 HydrophobicContact CB-CB 4.05Å; A58-L61 VanDerWaalsContact O-CB 3.28Å; A58-L61 WeakPolarHBondContact O-CB 3.4Å; A58-L61 PolarHBondContact O-N 2.98Å; A58-L61 VanDerWaalsContact O-N 3.16Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.65Å; L61-F72 HydrophobicContact CD1-CE1 4.36Å; L61-F72 HydrophobicContact CD2-CE1 4.4Å
62K85.3Confident85.8Confident193 Ų19379 Ų7984%0.83939%0.386SS*.  trans-91.2109.9179.5-71.1177.9-176.5176.80111.1S60S60-K62 PolarHBondContact O-N 2.73Å
63V86.7Confident85.7Confident41 Ų4181.4 Ų81.425%0.24840%0.4CS..  trans-89129.3176.6175.40000111.1F33 F72F33-V63 HydrophobicContact CB-CG2 3.7Å; F33-V63 HydrophobicContact CD2-CG2 4.49Å; F33-V63 HydrophobicContact CG-CG2 4.4Å; V63-F72 HydrophobicContact CB-CZ 4.13Å; V63-F72 HydrophobicContact CG1-CE2 4.37Å; V63-F72 HydrophobicContact CG1-CZ 3.82Å; V63-F72 HydrophobicContact CG2-CE1 3.72Å; V63-F72 HydrophobicContact CG2-CZ 3.44Å; V63-F72 VanDerWaalsContact CG2-CZ 3.44Å
64R85.3Confident85.6Confident198 Ų19885 Ų8575%0.74743%0.426SS*.  trans-98.2154.6171.1-49.6-178.9175.5-157.9-0.6109.8K66 N67R64-K66 PolarHBondContact O-N 3.11Å; R64-K66 VanDerWaalsContact O-N 3.1Å; R64-N67 WeakPolarHBondContact CB-OD1 3.46Å; R64-N67 PolarHBondContact O-N 3.4Å; R64-N67 VanDerWaalsContact O-N 3.11Å; R64-N67 PolarHBondContact O-OD1 2.8Å
65K81.5Confident85.7Confident167 Ų16786 Ų8673%0.72644%0.435SS*.THydrogen-bonded Turntrans-58.4-23178.4-66.1-171.8-176-1780114
66K85.8Confident85.8Confident195 Ų19583.6 Ų83.685%0.84842%0.42SS*.THydrogen-bonded Turntrans-81-16.8179.1-67-166.6176.4-169.40114.2R64 L68R64-K66 PolarHBondContact O-N 3.11Å; R64-K66 VanDerWaalsContact O-N 3.1Å; K66-L68 PolarHBondContact O-N 2.79Å
67N86.5Confident85.7Confident56 Ų5683.1 Ų83.130%0.29944%0.435SS..  trans-69.2131.1-174.6-66.841.8000111.4R64 D71 F72R64-N67 WeakPolarHBondContact CB-OD1 3.46Å; R64-N67 PolarHBondContact O-N 3.4Å; R64-N67 VanDerWaalsContact O-N 3.11Å; R64-N67 PolarHBondContact O-OD1 2.8Å; N67-D71 VanDerWaalsContact CA-OD2 3.3Å; N67-D71 WeakPolarHBondContact CA-OD2 3.36Å; N67-F72 HydrophobicContact CB-CE2 3.61Å; N67-F72 HydrophobicContact CB-CZ 3.8Å
68L86.4Confident85.7Confident110 Ų11087.8 Ų87.858%0.57647%0.466SS*.  trans-90.9164.2173.2-55.4178.5000110.9K66 K70 D71 F72K66-L68 PolarHBondContact O-N 2.79Å; L68-K70 PolarHBondContact O-N 2.86Å; L68-D71 PolarHBondContact N-OD2 3.14Å; L68-D71 WeakPolarHBondContact O-CB 3.45Å; L68-D71 PolarHBondContact O-N 3.01Å; L68-F72 VanDerWaalsContact O-CD2 3.25Å; L68-F72 WeakPolarHBondContact O-CD2 3.42Å
69L84.6Confident85.8Confident29 Ų2990.3 Ų90.315%0.15248%0.475CS..Hα-helixtrans-63.3-31176.1-176.357.5000112F33 D71 F72 V73 F84 I86 M106F33-L69 HydrophobicContact CZ-CD1 4.01Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 2.91Å; L69-F72 PolarHBondContact O-N 3.13Å; L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 2.98Å; L69-V73 VanDerWaalsContact O-N 3.13Å; L69-F84 HydrophobicContact CD1-CD2 3.97Å; L69-F84 HydrophobicContact CD1-CE2 3.98Å; L69-I86 HydrophobicContact CD1-CD1 3.72Å; L69-M106 HydrophobicContact CD2-CE 4.46Å
70K85.7Confident85.9Confident164 Ų16488.3 Ų88.371%0.71347%0.469SS*.Hα-helixtrans-60.2-41.6177.1-63.8-172.3176-173.80111.7L68 F72 V73 S74L68-K70 PolarHBondContact O-N 2.86Å; K70-F72 VanDerWaalsContact C-N 3.3Å; K70-F72 PolarHBondContact O-N 3.47Å; K70-V73 PolarHBondContact O-N 3.2Å; K70-V73 VanDerWaalsContact O-N 3.11Å; K70-S74 PolarHBondContact O-N 3Å; K70-S74 PolarHBondContact O-OG 2.81Å
71D88.6Confident86.2Confident61 Ų6183.8 Ų83.833%0.32644%0.437SS..Hα-helixtrans-61.5-38.1178.3-37.4-7.9000111.7N67 L68 L69 S74 V75N67-D71 VanDerWaalsContact CA-OD2 3.3Å; N67-D71 WeakPolarHBondContact CA-OD2 3.36Å; L68-D71 PolarHBondContact N-OD2 3.14Å; L68-D71 WeakPolarHBondContact O-CB 3.45Å; L68-D71 PolarHBondContact O-N 3.01Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 2.91Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.05Å; D71-V75 WeakPolarHBondContact O-CB 3.48Å; D71-V75 VanDerWaalsContact O-CG2 3.3Å; D71-V75 WeakPolarHBondContact O-CG2 3.13Å; D71-V75 PolarHBondContact O-N 3.06Å
72F87.8Confident86.4Confident13 Ų1383.9 Ų83.96%0.05744%0.439CS..Hα-helixtrans-70.4-37.9175.1-67.5-72.3000111.6F33 L61 V63 N67 L68 L69 K70 V75 A76 F84F33-F72 HydrophobicContact CD2-CD2 4.34Å; F33-F72 HydrophobicContact CD2-CE2 4.16Å; F33-F72 HydrophobicContact CD2-CZ 4.33Å; F33-F72 HydrophobicContact CE1-CB 4.44Å; F33-F72 HydrophobicContact CE1-CD1 4.48Å; F33-F72 HydrophobicContact CE1-CG 4.28Å; F33-F72 AromaticContact CE2-CD2 3.71Å; F33-F72 HydrophobicContact CE2-CD2 3.71Å; F33-F72 AromaticContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CG 4.09Å; F33-F72 HydrophobicContact CE2-CZ 4.49Å; F33-F72 HydrophobicContact CZ-CB 4.09Å; F33-F72 HydrophobicContact CZ-CD1 4.44Å; F33-F72 AromaticContact CZ-CD2 3.91Å; F33-F72 HydrophobicContact CZ-CD2 3.91Å; F33-F72 AromaticContact CZ-CG 3.87Å; F33-F72 HydrophobicContact CZ-CG 3.87Å; L61-F72 HydrophobicContact CD1-CE1 4.36Å; L61-F72 HydrophobicContact CD2-CE1 4.4Å; V63-F72 HydrophobicContact CB-CZ 4.13Å; V63-F72 HydrophobicContact CG1-CE2 4.37Å; V63-F72 HydrophobicContact CG1-CZ 3.82Å; V63-F72 HydrophobicContact CG2-CE1 3.72Å; V63-F72 HydrophobicContact CG2-CZ 3.44Å; V63-F72 VanDerWaalsContact CG2-CZ 3.44Å; N67-F72 HydrophobicContact CB-CE2 3.61Å; N67-F72 HydrophobicContact CB-CZ 3.8Å; L68-F72 VanDerWaalsContact O-CD2 3.25Å; L68-F72 WeakPolarHBondContact O-CD2 3.42Å; L69-F72 PolarHBondContact O-N 3.13Å; K70-F72 VanDerWaalsContact C-N 3.3Å; K70-F72 PolarHBondContact O-N 3.47Å; F72-V75 PolarHBondContact O-N 2.8Å; F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 3.41Å; F72-F84 HydrophobicContact CB-CE2 3.74Å; F72-F84 HydrophobicContact CB-CZ 3.79Å; F72-F84 WeakPolarHBondContact O-CZ 3.31Å
73V88.1Confident86.7Confident50 Ų5074.7 Ų74.730%0.30340%0.399SS..Hα-helixtrans-65.7-41.4176.4175.60000111.7L69 K70 V75 A76 G77 F84 L101 M289L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 2.98Å; L69-V73 VanDerWaalsContact O-N 3.13Å; K70-V73 PolarHBondContact O-N 3.2Å; K70-V73 VanDerWaalsContact O-N 3.11Å; V73-V75 VanDerWaalsContact C-N 3.35Å; V73-V75 PolarHBondContact O-N 3.16Å; V73-A76 PolarHBondContact O-N 3.25Å; V73-G77 PolarHBondContact O-N 3.05Å; V73-F84 HydrophobicContact CG2-CE2 3.96Å; V73-F84 HydrophobicContact CG2-CZ 4.39Å; V73-L101 HydrophobicContact CG1-CD2 4.47Å; V73-L101 HydrophobicContact CG2-CD2 4.28Å; V73-M289 HydrophobicContact CG2-CE 3.91Å
74S87.6Confident86.9Confident85 Ų8572.8 Ų72.859%0.59439%0.387SS*.Hα-helixtrans-67.5-34177.162.30000112.8K70 D71 P78K70-S74 PolarHBondContact O-N 3Å; K70-S74 PolarHBondContact O-OG 2.81Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.05Å; S74-P78 WeakPolarHBondContact O-CD 3.46Å
75V87.8Confident87.3Confident67 Ų6763.4 Ų63.441%0.40635%0.352SS..Hα-helixtrans-74.9-30.1173171.20000112.5F31 D71 F72 V73 P78 L79F31-V75 HydrophobicContact CE2-CG1 4.11Å; F31-V75 HydrophobicContact CZ-CG1 4.23Å; D71-V75 WeakPolarHBondContact O-CB 3.48Å; D71-V75 VanDerWaalsContact O-CG2 3.3Å; D71-V75 WeakPolarHBondContact O-CG2 3.13Å; D71-V75 PolarHBondContact O-N 3.06Å; F72-V75 PolarHBondContact O-N 2.8Å; V73-V75 VanDerWaalsContact C-N 3.35Å; V73-V75 PolarHBondContact O-N 3.16Å; V75-P78 WeakPolarHBondContact O-CD 3.32Å; V75-L79 HydrophobicContact CG1-CD1 3.8Å
76A88.1Confident87.8Confident1 Ų155.7 Ų55.71%0.00832%0.319CS..Hα-helixtrans-68.4-37.8-179.300000113.8F72 V73 L79 G80 V81 F84 L101F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 3.41Å; V73-A76 PolarHBondContact O-N 3.25Å; A76-L79 CarbonylContact O-C 3.53Å; A76-L79 PolarHBondContact O-N 3.49Å; A76-G80 PolarHBondContact O-N 3.39Å; A76-V81 HydrophobicContact CB-CB 3.85Å; A76-V81 HydrophobicContact CB-CG1 4.5Å; A76-V81 PolarHBondContact O-N 3.18Å; A76-F84 HydrophobicContact CB-CE1 3.75Å; A76-F84 HydrophobicContact CB-CZ 3.73Å; A76-L101 HydrophobicContact CB-CD2 3.5Å
77G85.2Confident88.2Confident59 Ų5946.4 Ų46.461%0.60828%0.278SS*.THydrogen-bonded Turntrans-51.6-63179.400000114.2V73 L79 G80V73-G77 PolarHBondContact O-N 3.05Å; G77-L79 PolarHBondContact O-N 3.44Å; G77-G80 PolarHBondContact O-N 3.49Å
78P85.5Confident88.4Confident112 Ų11244.2 Ų44.273%0.72727%0.269SS*.THydrogen-bonded Turntrans-67.9-14.7-179.428.1-35.9000114S74 V75S74-P78 WeakPolarHBondContact O-CD 3.46Å; V75-P78 WeakPolarHBondContact O-CD 3.32Å
79L84.8Confident88.6Confident85 Ų8544.4 Ų44.445%0.44527%0.265SS..THydrogen-bonded Turntrans-98.23.3177.6-67.1175.7000113.6F31 V75 A76 G77 V81F31-L79 HydrophobicContact CZ-CD1 3.85Å; V75-L79 HydrophobicContact CG1-CD1 3.8Å; A76-L79 CarbonylContact O-C 3.53Å; A76-L79 PolarHBondContact O-N 3.49Å; G77-L79 PolarHBondContact O-N 3.44Å; L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 HydrophobicContact CB-CG2 3.92Å; L79-V81 PolarHBondContact O-N 3.11Å
80G84.4Confident88.7Confident31 Ų3145.8 Ų45.832%0.3228%0.275SS..THydrogen-bonded Turntrans65.323.417800000114.6A76 G77 T82A76-G80 PolarHBondContact O-N 3.39Å; G77-G80 PolarHBondContact O-N 3.49Å; G80-T82 PolarHBondContact O-N 2.92Å
81V89.5Confident88.6Confident10 Ų1042.9 Ų42.96%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-78120.3-173-178.50000110.7H29 F31 A76 L79 F84H29-V81 HydrophobicContact CB-CG2 4.34Å; F31-V81 HydrophobicContact CB-CG1 4.04Å; F31-V81 HydrophobicContact CD1-CG1 3.94Å; F31-V81 HydrophobicContact CD1-CG2 3.81Å; F31-V81 HydrophobicContact CD2-CG1 4.19Å; F31-V81 HydrophobicContact CD2-CG2 4.44Å; F31-V81 HydrophobicContact CE1-CG1 4.49Å; F31-V81 HydrophobicContact CE1-CG2 3.53Å; F31-V81 HydrophobicContact CE2-CG2 4.2Å; F31-V81 HydrophobicContact CG-CG1 3.78Å; F31-V81 HydrophobicContact CG-CG2 4.28Å; F31-V81 HydrophobicContact CZ-CG2 3.76Å; A76-V81 HydrophobicContact CB-CB 3.85Å; A76-V81 HydrophobicContact CB-CG1 4.5Å; A76-V81 PolarHBondContact O-N 3.18Å; L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 HydrophobicContact CB-CG2 3.92Å; L79-V81 PolarHBondContact O-N 3.11Å; V81-F84 HydrophobicContact CG1-CD1 4.1Å; V81-F84 HydrophobicContact CG1-CE1 3.88Å
82T89.1Confident88.2Confident35 Ų3546.9 Ų46.922%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-97.2-28.4-172.357.10000113.5P28 H29 G80 R100 L101P28-T82 WeakPolarHBondContact CA-OG1 3.27Å; P28-T82 WeakPolarHBondContact CB-OG1 3.5Å; H29-T82 PolarHBondContact N-OG1 2.81Å; H29-T82 PolarHBondContact O-N 3.03Å; H29-T82 PolarHBondContact O-OG1 3Å; G80-T82 PolarHBondContact O-N 2.92Å; T82-R100 CarbonylContact O-C 3.55Å; T82-R100 WeakPolarHBondContact O-CA 3.5Å; T82-L101 PolarHBondContact O-N 3.13Å
83H90.9Very high88.2Confident0 Ų048.1 Ų48.10%030%0.303CS..EExtended strand (participates in β ladder)trans-133.8138.1-176.4-58.489.9000113H29 S30 F31 L98 A99 R100 N161 M162H29-H83 PolarHBondContact O-N 3.07Å; H29-H83 VanDerWaalsContact O-N 3.16Å; S30-H83 CarbonylContact C-O 3.57Å; S30-H83 WeakPolarHBondContact CA-O 3.32Å; F31-H83 PolarHBondContact N-O 2.89Å; H83-L98 HydrophobicContact CB-CD1 4.41Å; H83-A99 CarbonylContact C-O 3.6Å; H83-A99 WeakPolarHBondContact CA-O 3.49Å; H83-R100 PolarHBondContact CE1-NH1 2.93Å; H83-R100 PolarHBondContact NE2-NH1 3.23Å; H83-N161 PolarHBondContact CE1-O 2.85Å; H83-M162 HydrophobicContact CB-CG 4.22Å
84F92.5Very high88.4Confident0 Ų046.8 Ų46.80%029%0.294CS..EExtended strand (participates in β ladder)trans-110.6129.4170.9-74.52.3000110.6F31 F33 L69 F72 V73 A76 V81 I86 L98 A99 L101 M289F31-F84 HydrophobicContact CB-CD1 3.75Å; F31-F84 HydrophobicContact CB-CE1 3.96Å; F31-F84 HydrophobicContact CD2-CD1 4.37Å; F31-F84 AromaticContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CZ 4.31Å; F31-F84 HydrophobicContact CG-CD1 4.46Å; F31-F84 HydrophobicContact CG-CE1 4.18Å; F31-F84 CarbonylContact O-C 3.58Å; F31-F84 WeakPolarHBondContact O-CA 3.42Å; F33-F84 HydrophobicContact CE1-CB 4.12Å; F33-F84 HydrophobicContact CE1-CD1 4.25Å; F33-F84 AromaticContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CE2 4.2Å; F33-F84 AromaticContact CE1-CG 3.78Å; F33-F84 HydrophobicContact CE1-CG 3.78Å; F33-F84 AromaticContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CE2 4.18Å; F33-F84 HydrophobicContact CZ-CG 4.3Å; L69-F84 HydrophobicContact CD1-CD2 3.97Å; L69-F84 HydrophobicContact CD1-CE2 3.98Å; F72-F84 HydrophobicContact CB-CE2 3.74Å; F72-F84 HydrophobicContact CB-CZ 3.79Å; F72-F84 WeakPolarHBondContact O-CZ 3.31Å; V73-F84 HydrophobicContact CG2-CE2 3.96Å; V73-F84 HydrophobicContact CG2-CZ 4.39Å; A76-F84 HydrophobicContact CB-CE1 3.75Å; A76-F84 HydrophobicContact CB-CZ 3.73Å; V81-F84 HydrophobicContact CG1-CD1 4.1Å; V81-F84 HydrophobicContact CG1-CE1 3.88Å; F84-I86 HydrophobicContact CB-CD1 4.27Å; F84-I86 HydrophobicContact CB-CG1 4.01Å; F84-I86 HydrophobicContact CD2-CD1 4.27Å; F84-L98 WeakPolarHBondContact O-CA 3.26Å; F84-A99 HydrophobicContact CB-CB 4.46Å; F84-A99 PolarHBondContact N-O 2.84Å; F84-A99 PolarHBondContact O-N 2.84Å; F84-L101 HydrophobicContact CB-CD1 4.22Å; F84-L101 HydrophobicContact CD1-CD1 3.53Å; F84-L101 HydrophobicContact CD1-CD2 4.34Å; F84-L101 HydrophobicContact CD2-CD1 3.86Å; F84-L101 HydrophobicContact CE1-CD1 3.75Å; F84-L101 HydrophobicContact CE1-CD2 3.68Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CE2-CD1 4.07Å; F84-L101 HydrophobicContact CE2-CD2 4.04Å; F84-L101 HydrophobicContact CG-CD1 3.59Å; F84-L101 HydrophobicContact CZ-CD1 4Å; F84-L101 HydrophobicContact CZ-CD2 3.49Å; F84-L101 VanDerWaalsContact CZ-CD2 3.49Å; F84-L101 HydrophobicContact CZ-CG 4.39Å; F84-M289 HydrophobicContact CD2-CE 3.7Å; F84-M289 HydrophobicContact CE2-CE 3.92Å
85V92.9Very high88.6Confident2 Ų244.5 Ų44.51%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-108.4106.9167.1-174.20000107.9F31 V32 F33 F87 M96 R97 L98 M162F31-V85 PolarHBondContact O-N 3.14Å; V32-V85 WeakPolarHBondContact CA-O 3.33Å; V32-V85 HydrophobicContact CB-CB 4.43Å; V32-V85 HydrophobicContact CG1-CB 4.23Å; V32-V85 HydrophobicContact CG1-CG1 4.41Å; V32-V85 HydrophobicContact CG2-CB 4.13Å; V32-V85 HydrophobicContact CG2-CG2 4.29Å; F33-V85 PolarHBondContact N-O 2.88Å; V85-F87 HydrophobicContact CG1-CD2 4.28Å; V85-F87 HydrophobicContact CG1-CE2 3.63Å; V85-F87 HydrophobicContact CG1-CZ 4.12Å; V85-M96 HydrophobicContact CG1-CG 3.94Å; V85-M96 HydrophobicContact CG1-SD 3.97Å; V85-R97 CarbonylContact C-O 3.58Å; V85-R97 WeakPolarHBondContact CA-O 3.39Å; V85-L98 HydrophobicContact CG2-CD1 4.11Å; V85-M162 HydrophobicContact CG2-SD 4.19Å
86I92.6Very high88.9Confident4 Ų441.8 Ų41.82%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-112110.3-172.6-44-179.7000110F33 R35 L69 F84 M96 R97F33-I86 HydrophobicContact CD2-CG2 4.2Å; F33-I86 HydrophobicContact CE1-CD1 4.41Å; F33-I86 HydrophobicContact CE1-CG1 3.98Å; F33-I86 HydrophobicContact CE2-CD1 4.12Å; F33-I86 HydrophobicContact CE2-CG1 4.02Å; F33-I86 HydrophobicContact CE2-CG2 3.91Å; F33-I86 HydrophobicContact CZ-CD1 3.7Å; F33-I86 HydrophobicContact CZ-CG1 3.66Å; F33-I86 HydrophobicContact CZ-CG2 4.43Å; F33-I86 WeakPolarHBondContact O-CA 3.3Å; R35-I86 HydrophobicContact CB-CG2 3.77Å; L69-I86 HydrophobicContact CD1-CD1 3.72Å; F84-I86 HydrophobicContact CB-CD1 4.27Å; F84-I86 HydrophobicContact CB-CG1 4.01Å; F84-I86 HydrophobicContact CD2-CD1 4.27Å; I86-M96 CarbonylContact O-C 3.56Å; I86-R97 HydrophobicContact CB-CB 4.27Å; I86-R97 PolarHBondContact N-O 3.29Å; I86-R97 PolarHBondContact O-N 3.33Å
87F93.5Very high89.1Confident0 Ų044.9 Ų44.90%027%0.27CS..EExtended strand (participates in β ladder)trans-86.5133.2171.3-68-89.2000110.7V32 F33 Q34 R35 V42 L45 V46 M49 V85 N95 M96 M278V32-F87 HydrophobicContact CG1-CD2 4.4Å; V32-F87 HydrophobicContact CG1-CE2 3.97Å; F33-F87 PolarHBondContact O-N 3.46Å; Q34-F87 CarbonylContact C-O 3.47Å; Q34-F87 WeakPolarHBondContact CA-O 3.39Å; R35-F87 PolarHBondContact N-O 3.34Å; V42-F87 HydrophobicContact CG1-CB 4.1Å; L45-F87 HydrophobicContact CD2-CD1 4.27Å; L45-F87 HydrophobicContact CD2-CE1 3.9Å; L45-F87 HydrophobicContact CG-CE1 4.27Å; V46-F87 HydrophobicContact CG2-CB 3.89Å; V46-F87 HydrophobicContact CG2-CD2 3.6Å; V46-F87 HydrophobicContact CG2-CE2 4.38Å; V46-F87 HydrophobicContact CG2-CG 3.91Å; M49-F87 HydrophobicContact CB-CE2 4.17Å; M49-F87 HydrophobicContact CB-CZ 4.3Å; M49-F87 HydrophobicContact CG-CE2 4.11Å; M49-F87 HydrophobicContact CG-CZ 4.22Å; V85-F87 HydrophobicContact CG1-CD2 4.28Å; V85-F87 HydrophobicContact CG1-CE2 3.63Å; V85-F87 HydrophobicContact CG1-CZ 4.12Å; F87-N95 CarbonylContact C-O 3.54Å; F87-N95 WeakPolarHBondContact CA-O 3.16Å; F87-M96 HydrophobicContact CD1-CB 4.23Å; F87-M96 HydrophobicContact CD1-CG 4.22Å; F87-M96 HydrophobicContact CE1-CB 4.09Å; F87-M96 HydrophobicContact CE1-CG 3.84Å; F87-M96 HydrophobicContact CE1-SD 3.99Å; F87-M96 HydrophobicContact CZ-CG 4Å; F87-M96 HydrophobicContact CZ-SD 3.85Å; F87-M278 HydrophobicContact CE1-CE 3.88Å; F87-M278 HydrophobicContact CE1-SD 4.43Å
88G90.8Very high89.5Confident11 Ų1142.1 Ų42.111%0.11324%0.241CC..EExtended strand (participates in β ladder)trans-135.7150.417200000110.9N95G88-N95 PolarHBondContact N-O 3.41Å; G88-N95 PolarHBondContact O-N 3.4Å
89K90.1Very high89.8Confident113 Ų11336.8 Ų36.849%0.49121%0.207SC..EExtended strand (participates in β ladder)trans-106.8124.7169.5179.9171.3-177-170.30109.5V38 P91V38-K89 HydrophobicContact CG1-CB 4.11Å; K89-P91 WeakPolarHBondContact CE-O 3.19Å; K89-P91 PolarHBondContact NZ-O 3.44Å
90T87.4Confident90Very high58 Ų5836.8 Ų36.836%0.35620%0.2SC..  trans-92.3166156.621.90000108.5D92 T93 N95T90-D92 PolarHBondContact O-N 3.12Å; T90-D92 VanDerWaalsContact O-N 3.15Å; T90-T93 PolarHBondContact N-O 3.05Å; T90-T93 PolarHBondContact O-N 3.04Å; T90-T93 VanDerWaalsContact O-O 3.05Å; T90-T93 PolarHBondContact OG1-O 2.92Å; T90-T93 VanDerWaalsContact OG1-O 3.08Å; T90-T93 PolarHBondContact OG1-OG1 3.32Å; T90-N95 PolarHBondContact OG1-ND2 3.45Å
91P82.6Confident90.1Very high103 Ų10336.2 Ų36.267%0.66919%0.19SC*.SBendtrans-48.5-48.7-174.3-28.836.5000113.1K89K89-P91 WeakPolarHBondContact CE-O 3.19Å; K89-P91 PolarHBondContact NZ-O 3.44Å
92D80.6Confident89.4Confident146 Ų14640.9 Ų40.978%0.78122%0.221SC*.SBendtrans-98.7-16.3-168.2-25.2-77.8000113.3T90T90-D92 PolarHBondContact O-N 3.12Å; T90-D92 VanDerWaalsContact O-N 3.15Å
93T87.6Confident88.5Confident39 Ų3948 Ų4824%0.23925%0.249CC..  trans-144.4150.8-166.446.70000113.3T90 K110T90-T93 PolarHBondContact N-O 3.05Å; T90-T93 PolarHBondContact O-N 3.04Å; T90-T93 VanDerWaalsContact O-O 3.05Å; T90-T93 PolarHBondContact OG1-O 2.92Å; T90-T93 VanDerWaalsContact OG1-O 3.08Å; T90-T93 PolarHBondContact OG1-OG1 3.32Å; T93-K110 HydrophobicContact CG2-CG 4.42Å
94I91.9Very high87.9Confident21 Ų2148.8 Ų48.811%0.10826%0.257CS..EExtended strand (participates in β ladder)trans-99.5131.5166.7-63.2163.4000107.5V42 V111 Y114V42-I94 HydrophobicContact CG2-CD1 3.78Å; V42-I94 HydrophobicContact CG2-CG1 4.16Å; I94-V111 HydrophobicContact CB-CB 4.13Å; I94-V111 HydrophobicContact CB-CG2 4.39Å; I94-V111 HydrophobicContact CG2-CB 4.13Å; I94-V111 HydrophobicContact CG2-CG2 3.88Å; I94-V111 WeakPolarHBondContact O-CB 3.22Å; I94-V111 PolarHBondContact O-N 3.25Å; I94-Y114 HydrophobicContact CD1-CD1 4.03Å; I94-Y114 HydrophobicContact CD1-CE1 3.48Å; I94-Y114 VanDerWaalsContact CD1-CE1 3.48Å
95N92.9Very high87.8Confident37 Ų3750.2 Ų50.220%0.19827%0.266CS..EExtended strand (participates in β ladder)trans-114.9135177.6-60.9-69.1000109.9F87 G88 T90 F109F87-N95 CarbonylContact C-O 3.54Å; F87-N95 WeakPolarHBondContact CA-O 3.16Å; G88-N95 PolarHBondContact N-O 3.41Å; G88-N95 PolarHBondContact O-N 3.4Å; T90-N95 PolarHBondContact OG1-ND2 3.45Å; N95-F109 CarbonylContact C-O 3.53Å; N95-F109 VanDerWaalsContact CA-O 3.32Å; N95-F109 WeakPolarHBondContact CA-O 3.39Å
96M93.6Very high87.7Confident11 Ų1150.2 Ų50.25%0.05427%0.266CS..EExtended strand (participates in β ladder)trans-109.6130.3168.9-173.5-173.576.300108.5V85 I86 F87 F109 V111 M278 L280V85-M96 HydrophobicContact CG1-CG 3.94Å; V85-M96 HydrophobicContact CG1-SD 3.97Å; I86-M96 CarbonylContact O-C 3.56Å; F87-M96 HydrophobicContact CD1-CB 4.23Å; F87-M96 HydrophobicContact CD1-CG 4.22Å; F87-M96 HydrophobicContact CE1-CB 4.09Å; F87-M96 HydrophobicContact CE1-CG 3.84Å; F87-M96 HydrophobicContact CE1-SD 3.99Å; F87-M96 HydrophobicContact CZ-CG 4Å; F87-M96 HydrophobicContact CZ-SD 3.85Å; M96-F109 HydrophobicContact CB-CB 4.42Å; M96-F109 HydrophobicContact CE-CB 4.43Å; M96-F109 HydrophobicContact CE-CD2 3.62Å; M96-F109 HydrophobicContact CE-CE2 4.18Å; M96-F109 HydrophobicContact CE-CG 4.22Å; M96-F109 PolarHBondContact N-O 2.8Å; M96-F109 WeakPolarHBondContact O-CA 3.22Å; M96-F109 WeakPolarHBondContact O-CB 3.48Å; M96-F109 PolarHBondContact O-N 3.39Å; M96-V111 HydrophobicContact CB-CG2 4.08Å; M96-M278 HydrophobicContact SD-CE 4.5Å; M96-L280 HydrophobicContact CB-CD2 4.49Å; M96-L280 HydrophobicContact CE-CD1 3.52Å; M96-L280 HydrophobicContact CE-CD2 3.99Å; M96-L280 HydrophobicContact CE-CG 4.41Å; M96-L280 HydrophobicContact SD-CD2 4.37Å
97R93.1Very high87.6Confident65 Ų6550 Ų5025%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-114.2127.1174.7-46.5-178.4-168.1-166.6-0.3109.2V85 I86 M106 L107 Y108V85-R97 CarbonylContact C-O 3.58Å; V85-R97 WeakPolarHBondContact CA-O 3.39Å; I86-R97 HydrophobicContact CB-CB 4.27Å; I86-R97 PolarHBondContact N-O 3.29Å; I86-R97 PolarHBondContact O-N 3.33Å; R97-M106 HydrophobicContact CB-CG 4.17Å; R97-M106 HydrophobicContact CB-SD 4.12Å; R97-L107 CarbonylContact C-O 3.56Å; R97-L107 VanDerWaalsContact CA-O 3.24Å; R97-L107 WeakPolarHBondContact CA-O 3.48Å; R97-Y108 HydrophobicContact CG-CD1 4.01Å; R97-Y108 HydrophobicContact CG-CE1 4.27Å; R97-Y108 HydrophobicContact CG-CG 4.5Å
98L92.8Very high87.6Confident2 Ų251.4 Ų51.41%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-105.6120.6171175.758.6000107.8H83 F84 V85 M106 L107 F109 M158 F159 M162H83-L98 HydrophobicContact CB-CD1 4.41Å; F84-L98 WeakPolarHBondContact O-CA 3.26Å; V85-L98 HydrophobicContact CG2-CD1 4.11Å; L98-M106 CarbonylContact O-C 3.6Å; L98-M106 WeakPolarHBondContact O-CA 3.37Å; L98-L107 HydrophobicContact CB-CB 4.43Å; L98-L107 HydrophobicContact CD2-CD1 4.38Å; L98-L107 PolarHBondContact N-O 2.94Å; L98-L107 PolarHBondContact O-N 3.42Å; L98-F109 HydrophobicContact CB-CE2 4.26Å; L98-M158 HydrophobicContact CD2-CB 4.18Å; L98-M158 HydrophobicContact CG-SD 4.4Å; L98-F159 HydrophobicContact CD2-CD1 3.78Å; L98-F159 HydrophobicContact CD2-CE1 3.69Å; L98-M162 HydrophobicContact CD1-SD 3.73Å; L98-M162 HydrophobicContact CD2-SD 4.29Å
99A92.4Very high87.7Confident0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-128141.5-179.600000111.5H83 F84 P105 M106 M289H83-A99 CarbonylContact C-O 3.6Å; H83-A99 WeakPolarHBondContact CA-O 3.49Å; F84-A99 HydrophobicContact CB-CB 4.46Å; F84-A99 PolarHBondContact N-O 2.84Å; F84-A99 PolarHBondContact O-N 2.84Å; A99-P105 WeakPolarHBondContact CA-O 3.3Å; A99-M106 HydrophobicContact CB-CB 4.02Å; A99-M106 HydrophobicContact CB-CE 3.88Å; A99-M106 HydrophobicContact CB-CG 3.93Å; A99-M289 HydrophobicContact CB-CE 4.17Å; A99-M289 HydrophobicContact CB-SD 3.85Å
100R89.4Confident87.9Confident84 Ų8449.1 Ų49.132%0.31726%0.257SS..EExtended strand (participates in β ladder)trans-103128.6175.7-179.6176.4176.794-14.6111T82 H83 G104 P105 N161T82-R100 CarbonylContact O-C 3.55Å; T82-R100 WeakPolarHBondContact O-CA 3.5Å; H83-R100 PolarHBondContact CE1-NH1 2.93Å; H83-R100 PolarHBondContact NE2-NH1 3.23Å; R100-G104 CarbonylContact O-C 3.59Å; R100-G104 WeakPolarHBondContact O-CA 3.17Å; R100-G104 PolarHBondContact O-N 3.28Å; R100-P105 PolarHBondContact N-O 3.01Å; R100-P105 VanDerWaalsContact N-O 3.14Å; R100-N161 PolarHBondContact NH1-OD1 3.33Å; R100-N161 PolarHBondContact NH2-OD1 2.97Å
101L85.6Confident88.2Confident19 Ų1946.9 Ų46.910%0.09924%0.244CC..THydrogen-bonded Turntrans-91.4157.3179.2-79.480.1000111.4V73 A76 T82 F84 M289V73-L101 HydrophobicContact CG1-CD2 4.47Å; V73-L101 HydrophobicContact CG2-CD2 4.28Å; A76-L101 HydrophobicContact CB-CD2 3.5Å; T82-L101 PolarHBondContact O-N 3.13Å; F84-L101 HydrophobicContact CB-CD1 4.22Å; F84-L101 HydrophobicContact CD1-CD1 3.53Å; F84-L101 HydrophobicContact CD1-CD2 4.34Å; F84-L101 HydrophobicContact CD2-CD1 3.86Å; F84-L101 HydrophobicContact CE1-CD1 3.75Å; F84-L101 HydrophobicContact CE1-CD2 3.68Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CE2-CD1 4.07Å; F84-L101 HydrophobicContact CE2-CD2 4.04Å; F84-L101 HydrophobicContact CG-CD1 3.59Å; F84-L101 HydrophobicContact CZ-CD1 4Å; F84-L101 HydrophobicContact CZ-CD2 3.49Å; F84-L101 VanDerWaalsContact CZ-CD2 3.49Å; F84-L101 HydrophobicContact CZ-CG 4.39Å; L101-M289 HydrophobicContact CD1-CE 3.65Å; L101-M289 HydrophobicContact CD1-SD 3.95Å; L101-M289 HydrophobicContact CD2-CE 4.48Å; L101-M289 HydrophobicContact CG-CE 3.9Å; L101-M289 HydrophobicContact CG-SD 4.02Å
102P75Confident88.7Confident109 Ų10944.8 Ų44.871%0.70823%0.227SC*.THydrogen-bonded Turncis-85.1-24.6-2.632.7-34.8000114.4
103K69.4Low89.3Confident184 Ų18444 Ų4480%0.822%0.216SC*.THydrogen-bonded Turntrans-124.66-176.3-68.2-172.4177.1-177.10114.1
104G78.6Confident89.6Confident17 Ų1745.8 Ų45.818%0.17522%0.219CC..  trans-69.3169.2-175.700000113.4R100 G288R100-G104 CarbonylContact O-C 3.59Å; R100-G104 WeakPolarHBondContact O-CA 3.17Å; R100-G104 PolarHBondContact O-N 3.28Å; G104-G288 CarbonylContact O-C 3.45Å; G104-G288 VanDerWaalsContact O-C 3.31Å; G104-G288 WeakPolarHBondContact O-CA 3.28Å; G104-G288 PolarHBondContact O-N 3.08Å
105P89.9Confident89.6Confident30 Ų3046.7 Ų46.720%0.19523%0.228CC..  trans-71.2164.6-175.7-5.320.1000112.5A99 R100 M158 I285 Q286A99-P105 WeakPolarHBondContact CA-O 3.3Å; R100-P105 PolarHBondContact N-O 3.01Å; R100-P105 VanDerWaalsContact N-O 3.14Å; P105-M158 HydrophobicContact CB-CE 3.52Å; P105-M158 HydrophobicContact CG-CE 3.71Å; P105-M158 WeakPolarHBondContact O-CE 3.47Å; P105-I285 HydrophobicContact CB-CG2 4.5Å; P105-Q286 CarbonylContact C-O 3.44Å; P105-Q286 VanDerWaalsContact CA-O 3.23Å; P105-Q286 WeakPolarHBondContact CA-O 3.39Å; P105-Q286 WeakPolarHBondContact CB-O 3.25Å
106M90.8Very high89.7Confident2 Ų245.4 Ų45.41%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-118.9113174.1-175.5177-49.600110.4L69 R97 L98 A99 Y108 Q286 M289L69-M106 HydrophobicContact CD2-CE 4.46Å; R97-M106 HydrophobicContact CB-CG 4.17Å; R97-M106 HydrophobicContact CB-SD 4.12Å; L98-M106 CarbonylContact O-C 3.6Å; L98-M106 WeakPolarHBondContact O-CA 3.37Å; A99-M106 HydrophobicContact CB-CB 4.02Å; A99-M106 HydrophobicContact CB-CE 3.88Å; A99-M106 HydrophobicContact CB-CG 3.93Å; M106-Y108 HydrophobicContact CB-CE2 4.16Å; M106-Y108 HydrophobicContact CG-CD2 4.11Å; M106-Y108 HydrophobicContact CG-CE2 3.71Å; M106-Y108 WeakPolarHBondContact O-CD2 3.48Å; M106-Y108 HydrophobicContact SD-CE1 4.42Å; M106-Y108 HydrophobicContact SD-CE2 3.75Å; M106-Q286 PolarHBondContact N-O 2.93Å; M106-Q286 PolarHBondContact O-N 2.93Å; M106-M289 VanDerWaalsContact CE-C 3.49Å
107L92.3Very high89.5Confident0 Ų045.2 Ų45.20%022%0.22CC..EExtended strand (participates in β ladder)trans-80134.4168.7-53.7177.4000109.4R97 L98 F109 M155 M158 L282 I285R97-L107 CarbonylContact C-O 3.56Å; R97-L107 VanDerWaalsContact CA-O 3.24Å; R97-L107 WeakPolarHBondContact CA-O 3.48Å; L98-L107 HydrophobicContact CB-CB 4.43Å; L98-L107 HydrophobicContact CD2-CD1 4.38Å; L98-L107 PolarHBondContact N-O 2.94Å; L98-L107 PolarHBondContact O-N 3.42Å; L107-F109 HydrophobicContact CB-CD2 4.28Å; L107-F109 HydrophobicContact CB-CE2 3.56Å; L107-F109 HydrophobicContact CB-CZ 3.9Å; L107-F109 HydrophobicContact CD1-CE2 3.97Å; L107-F109 HydrophobicContact CD1-CZ 3.77Å; L107-F109 HydrophobicContact CG-CE2 4.41Å; L107-F109 HydrophobicContact CG-CZ 4.45Å; L107-M155 HydrophobicContact CD1-CB 4.26Å; L107-M155 HydrophobicContact CD1-CG 4.18Å; L107-M158 HydrophobicContact CD1-CB 4.05Å; L107-M158 HydrophobicContact CD1-CE 4.26Å; L107-M158 HydrophobicContact CD1-CG 4.01Å; L107-M158 HydrophobicContact CD1-SD 3.71Å; L107-M158 HydrophobicContact CD2-CE 3.96Å; L107-M158 HydrophobicContact CD2-SD 4.47Å; L107-M158 HydrophobicContact CG-CE 3.76Å; L107-M158 HydrophobicContact CG-SD 3.71Å; L107-L282 HydrophobicContact CB-CD1 4.49Å; L107-I285 HydrophobicContact CD2-CB 4.2Å; L107-I285 HydrophobicContact CD2-CD1 3.67Å; L107-I285 HydrophobicContact CD2-CG1 3.55Å; L107-I285 HydrophobicContact CD2-CG2 3.95Å
108Y92.9Very high89.4Confident29 Ų2948.4 Ų48.411%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-111.7114.2174.8-71.4-111.2000109.4R97 M106 V283 K284 Q286R97-Y108 HydrophobicContact CG-CD1 4.01Å; R97-Y108 HydrophobicContact CG-CE1 4.27Å; R97-Y108 HydrophobicContact CG-CG 4.5Å; M106-Y108 HydrophobicContact CB-CE2 4.16Å; M106-Y108 HydrophobicContact CG-CD2 4.11Å; M106-Y108 HydrophobicContact CG-CE2 3.71Å; M106-Y108 WeakPolarHBondContact O-CD2 3.48Å; M106-Y108 HydrophobicContact SD-CE1 4.42Å; M106-Y108 HydrophobicContact SD-CE2 3.75Å; Y108-V283 PolarHBondContact O-N 3.42Å; Y108-K284 HydrophobicContact CD2-CD 4.45Å; Y108-K284 HydrophobicContact CD2-CG 3.81Å; Y108-K284 HydrophobicContact CG-CD 4.48Å; Y108-K284 HydrophobicContact CG-CG 3.81Å; Y108-K284 PolarHBondContact N-O 2.81Å; Y108-K284 PolarHBondContact O-N 3.17Å; Y108-Q286 HydrophobicContact CD2-CB 4.46Å; Y108-Q286 HydrophobicContact CE2-CB 3.82Å; Y108-Q286 PolarHBondContact OH-OE1 2.98Å
109F93.8Very high89.3Confident1 Ų152 Ų520%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-107.4135.6175.7-59.3-79.1000111.3N95 M96 L98 L107 M155 F159 I191 L280 Q281 L282N95-F109 CarbonylContact C-O 3.53Å; N95-F109 VanDerWaalsContact CA-O 3.32Å; N95-F109 WeakPolarHBondContact CA-O 3.39Å; M96-F109 HydrophobicContact CB-CB 4.42Å; M96-F109 HydrophobicContact CE-CB 4.43Å; M96-F109 HydrophobicContact CE-CD2 3.62Å; M96-F109 HydrophobicContact CE-CE2 4.18Å; M96-F109 HydrophobicContact CE-CG 4.22Å; M96-F109 PolarHBondContact N-O 2.8Å; M96-F109 WeakPolarHBondContact O-CA 3.22Å; M96-F109 WeakPolarHBondContact O-CB 3.48Å; M96-F109 PolarHBondContact O-N 3.39Å; L98-F109 HydrophobicContact CB-CE2 4.26Å; L107-F109 HydrophobicContact CB-CD2 4.28Å; L107-F109 HydrophobicContact CB-CE2 3.56Å; L107-F109 HydrophobicContact CB-CZ 3.9Å; L107-F109 HydrophobicContact CD1-CE2 3.97Å; L107-F109 HydrophobicContact CD1-CZ 3.77Å; L107-F109 HydrophobicContact CG-CE2 4.41Å; L107-F109 HydrophobicContact CG-CZ 4.45Å; F109-M155 HydrophobicContact CE1-SD 3.54Å; F109-M155 VanDerWaalsContact CE1-SD 3.54Å; F109-M155 HydrophobicContact CZ-CG 4.22Å; F109-M155 HydrophobicContact CZ-SD 3.71Å; F109-F159 HydrophobicContact CE2-CZ 4.35Å; F109-F159 HydrophobicContact CZ-CE1 4.48Å; F109-F159 AromaticContact CZ-CZ 3.86Å; F109-F159 HydrophobicContact CZ-CZ 3.86Å; F109-I191 HydrophobicContact CD1-CD1 4.05Å; F109-I191 HydrophobicContact CE1-CD1 3.58Å; F109-L280 HydrophobicContact CB-CB 4.34Å; F109-L280 HydrophobicContact CB-CD2 4.19Å; F109-L280 HydrophobicContact CD1-CB 4.26Å; F109-L280 HydrophobicContact CG-CB 4.49Å; F109-Q281 CarbonylContact C-O 3.51Å; F109-Q281 VanDerWaalsContact CA-O 3.26Å; F109-Q281 WeakPolarHBondContact CA-O 3.46Å; F109-L282 HydrophobicContact CD1-CB 4.3Å; F109-L282 HydrophobicContact CD1-CD1 4.14Å; F109-L282 HydrophobicContact CE1-CB 4.2Å; F109-L282 HydrophobicContact CE1-CD1 3.79Å; F109-L282 HydrophobicContact CZ-CD1 4.28Å
110K93.3Very high89.2Confident74 Ų7452.2 Ų52.232%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-83.8127.3162.8179-177.7176.8-169.10107.3T93 L112 L280 Q281 V283T93-K110 HydrophobicContact CG2-CG 4.42Å; K110-L112 HydrophobicContact CD-CD2 3.74Å; K110-L112 HydrophobicContact CG-CD2 3.97Å; K110-L280 WeakPolarHBondContact O-CA 3.49Å; K110-Q281 PolarHBondContact N-O 2.87Å; K110-Q281 PolarHBondContact O-N 2.76Å; K110-V283 HydrophobicContact CB-CG2 3.6Å
111V94.1Very high89.1Confident11 Ų1149.5 Ų49.57%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-85.6113.8172.1-173.90000107.2I94 M96 M278 L280I94-V111 HydrophobicContact CB-CB 4.13Å; I94-V111 HydrophobicContact CB-CG2 4.39Å; I94-V111 HydrophobicContact CG2-CB 4.13Å; I94-V111 HydrophobicContact CG2-CG2 3.88Å; I94-V111 WeakPolarHBondContact O-CB 3.22Å; I94-V111 PolarHBondContact O-N 3.25Å; M96-V111 HydrophobicContact CB-CG2 4.08Å; V111-M278 HydrophobicContact CB-CE 4.29Å; V111-M278 HydrophobicContact CG1-CE 3.61Å; V111-M278 HydrophobicContact CG2-CE 3.62Å; V111-L280 HydrophobicContact CB-CD2 4.46Å; V111-L280 HydrophobicContact CG2-CD2 3.83Å
112L92.3Very high89.2Confident60 Ų6053.5 Ų53.531%0.31428%0.278SS..EExtended strand (participates in β ladder)trans-85.4-49.2-179.5-63.9178.7000111.2K110 E190 T279 Q281K110-L112 HydrophobicContact CD-CD2 3.74Å; K110-L112 HydrophobicContact CG-CD2 3.97Å; L112-E190 HydrophobicContact CD1-CG 3.97Å; L112-E190 WeakPolarHBondContact CD1-OE1 3.23Å; L112-T279 HydrophobicContact CB-CG2 4.08Å; L112-T279 HydrophobicContact CD1-CG2 4.16Å; L112-T279 PolarHBondContact N-O 2.91Å; L112-Q281 HydrophobicContact CD1-CB 3.95Å; L112-Q281 HydrophobicContact CG-CB 4.22Å
113K93.3Very high89.8Confident128 Ų12852.4 Ų52.456%0.55727%0.273SS*.EExtended strand (participates in β ladder)trans-132.7141.4-178.5-60.7159.5-173.1149.20108.3E190 M278 T279K113-E190 IonicContact NZ-OE1 3.94Å; K113-M278 WeakPolarHBondContact O-CA 3.36Å; K113-T279 PolarHBondContact O-N 3.43Å
114Y93.5Very high90.6Very high77 Ų7746 Ų4630%0.30225%0.247SC..EExtended strand (participates in β ladder)trans-147.5152.6173.175.3-79000111.6N41 L45 I94 L116 R277N41-Y114 HydrophobicContact CB-CE2 4.37Å; L45-Y114 HydrophobicContact CD2-CD2 4.02Å; L45-Y114 HydrophobicContact CD2-CG 4.31Å; I94-Y114 HydrophobicContact CD1-CD1 4.03Å; I94-Y114 HydrophobicContact CD1-CE1 3.48Å; I94-Y114 VanDerWaalsContact CD1-CE1 3.48Å; Y114-L116 HydrophobicContact CD2-CD2 4.35Å; Y114-L116 HydrophobicContact CE2-CD2 4.25Å; Y114-R277 CarbonylContact C-O 3.59Å; Y114-R277 WeakPolarHBondContact CA-O 3.33Å
115S93.2Very high90.7Very high41 Ų4155.6 Ų55.629%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-138.8138.8172.9-46.50000109.1P276 R277S115-P276 VanDerWaalsContact O-CA 3.26Å; S115-P276 WeakPolarHBondContact O-CA 3.41Å; S115-P276 WeakPolarHBondContact O-CB 3.22Å; S115-R277 PolarHBondContact N-O 2.84Å; S115-R277 PolarHBondContact O-N 2.95Å
116L93.6Very high90Very high9 Ų961.5 Ų61.55%0.04731%0.307CS..  trans-78162.2-179.8-55.5178.1000110.8Q44 L45 Y114 K118 D119 V120Q44-L116 HydrophobicContact CB-CD1 4.03Å; Q44-L116 HydrophobicContact CB-CD2 4.2Å; L45-L116 HydrophobicContact CB-CD2 3.87Å; L45-L116 HydrophobicContact CD1-CD2 4.35Å; Y114-L116 HydrophobicContact CD2-CD2 4.35Å; Y114-L116 HydrophobicContact CE2-CD2 4.25Å; L116-K118 PolarHBondContact O-N 3.2Å; L116-D119 VanDerWaalsContact CB-OD2 3.31Å; L116-D119 WeakPolarHBondContact CB-OD2 3.15Å; L116-D119 PolarHBondContact N-OD2 3.21Å; L116-D119 PolarHBondContact O-N 2.85Å; L116-D119 VanDerWaalsContact O-N 3.16Å; L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 2.85Å; L116-V120 VanDerWaalsContact O-N 3.14Å
117I90.6Very high89.2Confident8 Ų866.5 Ų66.54%0.04133%0.33CS..Hα-helixtrans-58-35.5175.7-71.7179.3000110.9D48 K51 D119 V120 V121 M129 I274D48-I117 HydrophobicContact CB-CB 4.49Å; D48-I117 HydrophobicContact CB-CD1 3.55Å; D48-I117 HydrophobicContact CB-CG1 3.75Å; D48-I117 VanDerWaalsContact CG-CD1 3.5Å; D48-I117 VanDerWaalsContact CG-CG1 3.48Å; D48-I117 WeakPolarHBondContact OD2-CB 3.2Å; D48-I117 WeakPolarHBondContact OD2-CG1 3.28Å; D48-I117 PolarHBondContact OD2-N 2.96Å; K51-I117 HydrophobicContact CD-CD1 4.02Å; I117-D119 PolarHBondContact O-N 3.15Å; I117-V120 PolarHBondContact O-N 3.39Å; I117-V121 HydrophobicContact CG2-CG2 3.89Å; I117-V121 VanDerWaalsContact O-CB 3.23Å; I117-V121 WeakPolarHBondContact O-CB 3.49Å; I117-V121 WeakPolarHBondContact O-CG2 3.5Å; I117-V121 PolarHBondContact O-N 3.25Å; I117-M129 HydrophobicContact CG2-CE 3.66Å; I117-M129 HydrophobicContact CG2-SD 4.35Å; I117-I274 WeakPolarHBondContact CD1-O 3.45Å; I117-I274 WeakPolarHBondContact CG1-O 3.47Å
118K90.3Very high88.2Confident132 Ų13272.9 Ų72.957%0.57435%0.354SS*.Hα-helixtrans-58.8-46.8178-66.6178.4175.8177.90112.1L116 V121 S122L116-K118 PolarHBondContact O-N 3.2Å; K118-V121 PolarHBondContact O-N 3.03Å; K118-S122 WeakPolarHBondContact O-CB 3.47Å; K118-S122 PolarHBondContact O-N 3.07Å; K118-S122 PolarHBondContact O-OG 3.33Å
119D91.6Very high87Confident77 Ų7774.7 Ų74.741%0.41236%0.364SS..Hα-helixtrans-67.6-47.2-175.9-36.8-30.3000109.2L116 I117 V121 S122 S123L116-D119 VanDerWaalsContact CB-OD2 3.31Å; L116-D119 WeakPolarHBondContact CB-OD2 3.15Å; L116-D119 PolarHBondContact N-OD2 3.21Å; L116-D119 PolarHBondContact O-N 2.85Å; L116-D119 VanDerWaalsContact O-N 3.16Å; I117-D119 PolarHBondContact O-N 3.15Å; D119-V121 PolarHBondContact O-N 3.28Å; D119-S122 PolarHBondContact O-N 3.17Å; D119-S122 PolarHBondContact O-OG 3.03Å; D119-S123 PolarHBondContact O-N 2.86Å; D119-S123 VanDerWaalsContact O-N 3.11Å
120V89.3Confident86Confident4 Ų478.8 Ų78.82%0.02438%0.383CS..Hα-helixtrans-58.3-47.3174.5175.30000111.5L116 I117 S122 S123 L124 E273 R277L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 2.85Å; L116-V120 VanDerWaalsContact O-N 3.14Å; I117-V120 PolarHBondContact O-N 3.39Å; V120-S122 VanDerWaalsContact C-N 3.34Å; V120-S122 PolarHBondContact O-N 3.4Å; V120-S123 WeakPolarHBondContact O-CB 3.47Å; V120-S123 PolarHBondContact O-N 2.92Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 WeakPolarHBondContact O-CG 3.29Å; V120-L124 PolarHBondContact O-N 2.87Å; V120-E273 HydrophobicContact CG1-CB 3.89Å; V120-E273 WeakPolarHBondContact CG1-OE2 3.49Å; V120-R277 HydrophobicContact CG2-CG 3.93Å
121V87.9Confident85.2Confident28 Ų2883.5 Ų83.517%0.1741%0.406CS..Hα-helixtrans-63.4-38.2178.2166.20000111.8I117 K118 D119 S123 L124 H127 M129I117-V121 HydrophobicContact CG2-CG2 3.89Å; I117-V121 VanDerWaalsContact O-CB 3.23Å; I117-V121 WeakPolarHBondContact O-CB 3.49Å; I117-V121 WeakPolarHBondContact O-CG2 3.5Å; I117-V121 PolarHBondContact O-N 3.25Å; K118-V121 PolarHBondContact O-N 3.03Å; D119-V121 PolarHBondContact O-N 3.28Å; V121-S123 VanDerWaalsContact C-N 3.28Å; V121-S123 PolarHBondContact O-N 2.85Å; V121-L124 PolarHBondContact O-N 2.69Å; V121-H127 HydrophobicContact CG1-CB 4.1Å; V121-M129 HydrophobicContact CG2-SD 3.67Å
122S87.6Confident84.4Confident103 Ų10389.9 Ų89.972%0.7244%0.435SS*.Hα-helixtrans-67.9-26.8176.975.20000113.5K118 D119 V120 L124K118-S122 WeakPolarHBondContact O-CB 3.47Å; K118-S122 PolarHBondContact O-N 3.07Å; K118-S122 PolarHBondContact O-OG 3.33Å; D119-S122 PolarHBondContact O-N 3.17Å; D119-S122 PolarHBondContact O-OG 3.03Å; V120-S122 VanDerWaalsContact C-N 3.34Å; V120-S122 PolarHBondContact O-N 3.4Å; S122-L124 VanDerWaalsContact C-N 3.33Å
123S88.1Confident83.9Confident86 Ų8687.6 Ų87.660%0.60142%0.423SS*.Hα-helixtrans-76.6-15.9174.6-177.10000113.6D119 V120 V121D119-S123 PolarHBondContact O-N 2.86Å; D119-S123 VanDerWaalsContact O-N 3.11Å; V120-S123 WeakPolarHBondContact O-CB 3.47Å; V120-S123 PolarHBondContact O-N 2.92Å; V121-S123 VanDerWaalsContact C-N 3.28Å; V121-S123 PolarHBondContact O-N 2.85Å
124L85.3Confident83.4Confident50 Ų5082.4 Ų82.426%0.26240%0.401SS..  trans-98.1111.4-174-68.3166.5000112V120 V121 S122 K126 E273V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 WeakPolarHBondContact O-CG 3.29Å; V120-L124 PolarHBondContact O-N 2.87Å; V121-L124 PolarHBondContact O-N 2.69Å; S122-L124 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 3.22Å; L124-E273 HydrophobicContact CD1-CB 4.11Å; L124-E273 WeakPolarHBondContact CD1-O 3.3Å
125K80.6Confident83Confident218 Ų21882.7 Ų82.795%0.94841%0.41SS*.SBendtrans-50.7-27.3175.8-65.7-176.5178.7179.80114.3
126K75.8Confident82.7Confident153 Ų15383 Ų8367%0.66541%0.408SS*.SBendtrans-144.195175.2-61.1-178.3-170.2176.80110.4L124 E240L124-K126 PolarHBondContact O-N 3.22Å; K126-E240 IonicContact NZ-OE1 3.8Å; K126-E240 PolarHBondContact NZ-OE1 2.93Å
127H74.6Confident82.4Confident108 Ų10884.5 Ų84.550%0.541%0.414SS..  trans-83.9141.917164.786.4000111.3V121V121-H127 HydrophobicContact CG1-CB 4.1Å
128R70.1Confident82.3Confident134 Ų13484.1 Ų84.151%0.50641%0.412SS..  trans-126.560.3179.6-158.5-175.3-165.8-1252.6112.6H130 Q133R128-H130 PolarHBondContact NE-NE2 2.82Å; R128-Q133 PolarHBondContact O-NE2 2.86Å; R128-Q133 PolarHBondContact O-OE1 2.96Å
129M68.9Low82.2Confident67 Ų6779.5 Ų79.533%0.3339%0.394SS..  trans-81.6113.1174.1-54.5-176.69100110.3I117 V121 F134 I274I117-M129 HydrophobicContact CG2-CE 3.66Å; I117-M129 HydrophobicContact CG2-SD 4.35Å; V121-M129 HydrophobicContact CG2-SD 3.67Å; M129-F134 HydrophobicContact CE-CZ 4.24Å; M129-I274 HydrophobicContact CE-CG2 3.89Å; M129-I274 HydrophobicContact CG-CD1 4.22Å; M129-I274 HydrophobicContact CG-CG1 4.32Å
130H71.6Confident82.1Confident86 Ų8677.9 Ų77.940%0.39839%0.385SS..  trans-112.9132.5170-70.5-76.7000109R128 Q132 Q133R128-H130 PolarHBondContact NE-NE2 2.82Å; H130-Q132 PolarHBondContact O-N 2.85Å; H130-Q133 HydrophobicContact CB-CG 4.1Å; H130-Q133 VanDerWaalsContact O-CB 3.3Å; H130-Q133 WeakPolarHBondContact O-CB 3.19Å; H130-Q133 PolarHBondContact O-N 3.35Å; H130-Q133 PolarHBondContact O-OE1 3.16Å
131E76.2Confident82.2Confident173 Ų17381.2 Ų81.281%0.80840%0.402SS*.G310 helixtrans-59-33.6179.9-164.4165.1-162.900112.1Q133 F134E131-Q133 PolarHBondContact O-N 2.99Å; E131-Q133 VanDerWaalsContact O-N 3.07Å; E131-F134 PolarHBondContact O-N 3.3Å
132Q78.6Confident82.3Confident145 Ų14582 Ų8268%0.67841%0.405SS*.G310 helixtrans-67.21173.2-58.8-177.5-0.100115.7H130 T135 K177H130-Q132 PolarHBondContact O-N 2.85Å; Q132-T135 PolarHBondContact O-OG1 3.41Å; Q132-K177 WeakPolarHBondContact O-CD 3.45Å; Q132-K177 PolarHBondContact O-NZ 2.88Å; Q132-K177 VanDerWaalsContact O-NZ 3.13Å
133Q80.5Confident82.4Confident13 Ų1378.8 Ų78.86%0.06138%0.382CS..G310 helixtrans-83.5-30.5165.8-69.4157.3-27.500111.1R128 H130 E131 K177 R178 S197 I274R128-Q133 PolarHBondContact O-NE2 2.86Å; R128-Q133 PolarHBondContact O-OE1 2.96Å; H130-Q133 HydrophobicContact CB-CG 4.1Å; H130-Q133 VanDerWaalsContact O-CB 3.3Å; H130-Q133 WeakPolarHBondContact O-CB 3.19Å; H130-Q133 PolarHBondContact O-N 3.35Å; H130-Q133 PolarHBondContact O-OE1 3.16Å; E131-Q133 PolarHBondContact O-N 2.99Å; E131-Q133 VanDerWaalsContact O-N 3.07Å; Q133-K177 HydrophobicContact CB-CB 4.45Å; Q133-K177 HydrophobicContact CG-CB 4.3Å; Q133-R178 HydrophobicContact CB-CG 4.03Å; Q133-R178 WeakPolarHBondContact O-CD 3.41Å; Q133-R178 PolarHBondContact O-NE 3.42Å; Q133-S197 PolarHBondContact NE2-OG 2.82Å; Q133-I274 VanDerWaalsContact OE1-CD1 3.25Å
134F83.6Confident82.2Confident18 Ų1879.2 Ų79.28%0.07938%0.378CS..THydrogen-bonded Turntrans-84-16.1-173.9-61.7-83.3000113.8K51 Q54 M129 E131 H136 I274K51-F134 HydrophobicContact CB-CD1 4.24Å; K51-F134 HydrophobicContact CB-CE1 3.96Å; K51-F134 WeakPolarHBondContact O-CD1 3.46Å; Q54-F134 CarbonylContact C-O 3.6Å; Q54-F134 HydrophobicContact CB-CB 4.25Å; Q54-F134 WeakPolarHBondContact CB-O 3.34Å; M129-F134 HydrophobicContact CE-CZ 4.24Å; E131-F134 PolarHBondContact O-N 3.3Å; F134-H136 PolarHBondContact O-N 3.49Å; F134-I274 HydrophobicContact CE1-CG2 4.01Å; F134-I274 HydrophobicContact CZ-CG2 3.55Å
135T86.1Confident81.9Confident83 Ų8378.3 Ų78.351%0.50937%0.372SS..THydrogen-bonded Turntrans-65.4-21.1174.554.40000114Q132Q132-T135 PolarHBondContact O-OG1 3.41Å
136H86.3Confident81.1Confident49 Ų4971 Ų7123%0.22736%0.359CS..SBendtrans-107.4147.9175-51-85.9000109.7F134 T175 K177 R178F134-H136 PolarHBondContact O-N 3.49Å; H136-T175 WeakPolarHBondContact CB-O 3.43Å; H136-K177 PolarHBondContact CD2-NZ 3.13Å; H136-K177 PolarHBondContact NE2-NZ 3.43Å; H136-R178 PolarHBondContact O-NH2 2.87Å
137H86.6Confident80.7Confident39 Ų3969.8 Ų69.818%0.18136%0.364CS..PPolyproline II helixtrans-64151.2173.265.286.3000110.6Y56 P164Y56-H137 HydrophobicContact CD2-CB 4.29Å; Y56-H137 HydrophobicContact CE2-CB 4.01Å; H137-P164 HydrophobicContact CB-CG 4.35Å
138P89.4Confident80.3Confident1 Ų167.5 Ų67.51%0.00636%0.355CS..PPolyproline II helixtrans-72.9162.7169.933.6-35.5000111.2F163 R178 V180P138-F163 HydrophobicContact CG-CD1 3.88Å; P138-F163 HydrophobicContact CG-CE1 3.42Å; P138-F163 VanDerWaalsContact CG-CE1 3.42Å; P138-F163 HydrophobicContact CG-CZ 4.2Å; P138-R178 CarbonylContact C-O 3.6Å; P138-R178 VanDerWaalsContact CA-O 3.28Å; P138-R178 WeakPolarHBondContact CA-O 3.42Å; P138-R178 HydrophobicContact CB-CB 3.98Å; P138-V180 HydrophobicContact CB-CG2 3.96Å; P138-V180 HydrophobicContact CG-CG2 3.91Å
139L88.5Confident80.5Confident35 Ų3563.3 Ų63.318%0.18335%0.353CS..EExtended strand (participates in β ladder)trans-73.4152.4157-60.5-175.5000110.5I166 I176 R178 C179 V180L139-I166 HydrophobicContact CD2-CD1 3.36Å; L139-I176 HydrophobicContact CD1-CD1 4.47Å; L139-I176 HydrophobicContact CD1-CG2 3.57Å; L139-I176 HydrophobicContact CD2-CD1 4.02Å; L139-I176 HydrophobicContact CD2-CG1 3.99Å; L139-I176 HydrophobicContact CD2-CG2 4.23Å; L139-I176 HydrophobicContact CG-CG2 3.83Å; L139-R178 PolarHBondContact N-O 3.05Å; L139-C179 HydrophobicContact CB-CB 4.03Å; L139-C179 CarbonylContact O-C 3.57Å; L139-C179 WeakPolarHBondContact O-CA 3.49Å; L139-V180 PolarHBondContact O-N 2.91Å
140L89.8Confident81.3Confident42 Ų4268 Ų6822%0.2238%0.377CS..EExtended strand (participates in β ladder)trans-99.2132.1163.5-179.568.5000109.5L142 F159 Q160 F163 F182L140-L142 HydrophobicContact CD1-CD2 3.84Å; L140-L142 HydrophobicContact CD1-CG 4.45Å; L140-L142 HydrophobicContact CD2-CD1 4.2Å; L140-L142 HydrophobicContact CD2-CD2 4.04Å; L140-L142 HydrophobicContact CD2-CG 3.97Å; L140-L142 HydrophobicContact CG-CD2 3.98Å; L140-L142 HydrophobicContact CG-CG 4.04Å; L140-F159 HydrophobicContact CD1-CB 4.45Å; L140-F159 VanDerWaalsContact CD2-C 3.5Å; L140-F159 HydrophobicContact CD2-CB 4.18Å; L140-F159 WeakPolarHBondContact CD2-O 3.36Å; L140-Q160 HydrophobicContact CD2-CB 4.36Å; L140-Q160 HydrophobicContact CD2-CG 4Å; L140-F163 HydrophobicContact CB-CD2 4.05Å; L140-F163 HydrophobicContact CD1-CD2 4.08Å; L140-F163 HydrophobicContact CD1-CE2 3.92Å; L140-F163 HydrophobicContact CD2-CD2 4.39Å; L140-F163 HydrophobicContact CG-CD2 4.41Å; L140-F182 HydrophobicContact CD1-CD2 3.49Å; L140-F182 VanDerWaalsContact CD1-CD2 3.49Å; L140-F182 HydrophobicContact CD1-CE2 3.53Å
141I90.3Very high81.9Confident75 Ų7566 Ų6639%0.38537%0.367SS..EExtended strand (participates in β ladder)trans-120.8125.2167.9-55175000107.2C179 V180 L181 F182I141-C179 HydrophobicContact CD1-CB 3.98Å; I141-C179 HydrophobicContact CG1-CB 4.43Å; I141-V180 PolarHBondContact N-O 3.14Å; I141-L181 HydrophobicContact CB-CD1 3.96Å; I141-L181 HydrophobicContact CG2-CD1 3.66Å; I141-F182 PolarHBondContact O-N 2.82Å
142L90.4Very high82.5Confident45 Ų4557.9 Ų57.924%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-113.2110.3175.3-62.6-174.1000108.8L140 F145 A156 F159 Q160 F182L140-L142 HydrophobicContact CD1-CD2 3.84Å; L140-L142 HydrophobicContact CD1-CG 4.45Å; L140-L142 HydrophobicContact CD2-CD1 4.2Å; L140-L142 HydrophobicContact CD2-CD2 4.04Å; L140-L142 HydrophobicContact CD2-CG 3.97Å; L140-L142 HydrophobicContact CG-CD2 3.98Å; L140-L142 HydrophobicContact CG-CG 4.04Å; L142-F145 HydrophobicContact CB-CB 4.04Å; L142-F145 HydrophobicContact CB-CD2 3.73Å; L142-F145 HydrophobicContact CB-CG 4.07Å; L142-F145 HydrophobicContact CD1-CB 4.31Å; L142-F145 HydrophobicContact CD1-CG 4.35Å; L142-F145 HydrophobicContact CD2-CD2 4.08Å; L142-F145 HydrophobicContact CD2-CE2 4.13Å; L142-F145 HydrophobicContact CD2-CG 4.42Å; L142-F145 HydrophobicContact CD2-CZ 4.48Å; L142-F145 HydrophobicContact CG-CD2 4.37Å; L142-A156 HydrophobicContact CD1-CB 3.96Å; L142-F159 HydrophobicContact CD2-CB 4.19Å; L142-F159 HydrophobicContact CD2-CD2 4.28Å; L142-Q160 HydrophobicContact CD1-CG 4.05Å; L142-F182 WeakPolarHBondContact CA-O 3.16Å; L142-F182 HydrophobicContact CD2-CB 3.85Å; L142-F182 HydrophobicContact CD2-CD2 3.99Å; L142-F182 HydrophobicContact CD2-CG 4.2Å
143S89.5Confident82.9Confident35 Ų3558.3 Ų58.325%0.24533%0.329CS..EExtended strand (participates in β ladder)trans-95.2129.7173.5142.20000109.5F145 F182 S183 F184S143-F145 WeakPolarHBondContact O-CD2 3.46Å; S143-F145 PolarHBondContact O-N 2.86Å; S143-F182 PolarHBondContact N-O 2.84Å; S143-S183 PolarHBondContact OG-OG 3.5Å; S143-F184 PolarHBondContact O-N 3.46Å
144N84.5Confident83.3Confident95 Ų9560.2 Ų60.251%0.50834%0.339SS..SBendtrans65.810176.6-46.1-4.7000115.3G146 F184N144-G146 PolarHBondContact O-N 2.83Å; N144-F184 HydrophobicContact CB-CB 4.43Å; N144-F184 VanDerWaalsContact CB-O 3.26Å; N144-F184 WeakPolarHBondContact CB-O 3.37Å; N144-F184 PolarHBondContact ND2-O 2.93Å
145F78.6Confident83.6Confident31 Ų3159.4 Ų59.414%0.13634%0.336CS..THydrogen-bonded Turntrans-81.794.6171.9-71.8-101.7000110.5L142 S143 V152 M155 A156 F159 F182 F184 I191L142-F145 HydrophobicContact CB-CB 4.04Å; L142-F145 HydrophobicContact CB-CD2 3.73Å; L142-F145 HydrophobicContact CB-CG 4.07Å; L142-F145 HydrophobicContact CD1-CB 4.31Å; L142-F145 HydrophobicContact CD1-CG 4.35Å; L142-F145 HydrophobicContact CD2-CD2 4.08Å; L142-F145 HydrophobicContact CD2-CE2 4.13Å; L142-F145 HydrophobicContact CD2-CG 4.42Å; L142-F145 HydrophobicContact CD2-CZ 4.48Å; L142-F145 HydrophobicContact CG-CD2 4.37Å; S143-F145 WeakPolarHBondContact O-CD2 3.46Å; S143-F145 PolarHBondContact O-N 2.86Å; F145-V152 HydrophobicContact CB-CG1 4.45Å; F145-V152 HydrophobicContact CD1-CG1 3.75Å; F145-V152 HydrophobicContact CE1-CG1 4.44Å; F145-V152 HydrophobicContact CG-CG1 4.36Å; F145-M155 HydrophobicContact CD1-CE 4.46Å; F145-M155 HydrophobicContact CE1-CE 3.8Å; F145-M155 HydrophobicContact CE1-CG 4.06Å; F145-M155 HydrophobicContact CE1-SD 4.26Å; F145-A156 HydrophobicContact CB-CB 4.06Å; F145-A156 HydrophobicContact CD1-CB 3.97Å; F145-A156 HydrophobicContact CG-CB 4.4Å; F145-F159 AromaticContact CE1-CD2 3.97Å; F145-F159 HydrophobicContact CE1-CD2 3.97Å; F145-F159 AromaticContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CZ-CD2 4.21Å; F145-F159 HydrophobicContact CZ-CE2 4Å; F145-F182 HydrophobicContact CE2-CB 3.61Å; F145-F182 HydrophobicContact CZ-CB 3.8Å; F145-F184 HydrophobicContact CD2-CB 4.05Å; F145-F184 HydrophobicContact CE2-CB 3.76Å; F145-F184 HydrophobicContact CZ-CB 4.01Å; F145-I191 HydrophobicContact CZ-CG2 4.02Å
146G63.8Low83.8Confident65 Ų6556 Ų5667%0.6732%0.316SS*.THydrogen-bonded Turntrans175-26.4171.800000116.6N144N144-G146 PolarHBondContact O-N 2.83Å
147V66.6Low84Confident127 Ų12756.2 Ų56.277%0.7732%0.321SS*.SBendtrans-85.5-44.8-173.8-168.90000111.4G149V147-G149 PolarHBondContact O-N 2.79Å
148D66Low84.1Confident59 Ų5954.6 Ų54.632%0.31631%0.313SS..SBendtrans-95.980.5-161.3-47.4-82.6000114.6V152 F184D148-V152 HydrophobicContact CB-CG2 4.38Å; D148-V152 VanDerWaalsContact O-CB 3.29Å; D148-V152 WeakPolarHBondContact O-CB 3.27Å; D148-V152 WeakPolarHBondContact O-CG2 3.4Å; D148-F184 HydrophobicContact CB-CE1 4.06Å
149G75.4Confident84.1Confident46 Ų4654.7 Ų54.747%0.47431%0.313SS..Hα-helixtrans73.2168.5160.200000117.5V147 H151 V152 K153V147-G149 PolarHBondContact O-N 2.79Å; G149-H151 VanDerWaalsContact C-N 3.28Å; G149-H151 PolarHBondContact O-N 3.43Å; G149-V152 PolarHBondContact O-N 2.98Å; G149-K153 PolarHBondContact O-N 2.89Å
150M84.5Confident84.2Confident167 Ų16758.2 Ų58.282%0.82333%0.329SS*.Hα-helixtrans-65-29.9-170-163.6-177.9-64.800113.5K153 L154M150-K153 PolarHBondContact O-N 3.15Å; M150-L154 WeakPolarHBondContact O-CB 3.39Å; M150-L154 PolarHBondContact O-N 3.09Å
151H84.6Confident84.1Confident44 Ų4459.3 Ų59.320%0.20434%0.335CS..Hα-helixtrans-72.7-37.3-178.961.8-90000112.6G149 L154 M155 L282 I285 Y296G149-H151 VanDerWaalsContact C-N 3.28Å; G149-H151 PolarHBondContact O-N 3.43Å; H151-L154 PolarHBondContact O-N 2.82Å; H151-M155 WeakPolarHBondContact O-CB 3.49Å; H151-M155 PolarHBondContact O-N 3.39Å; H151-L282 HydrophobicContact CB-CD2 4.47Å; H151-I285 HydrophobicContact CB-CD1 3.81Å; H151-Y296 HydrophobicContact CB-CD1 4.19Å; H151-Y296 HydrophobicContact CB-CD2 4.19Å; H151-Y296 HydrophobicContact CB-CG 3.97Å; H151-Y296 AromaticContact CE1-CE2 3.99Å; H151-Y296 AromaticContact ND1-CD2 3.99Å; H151-Y296 AromaticContact ND1-CE2 3.75Å
152V88.1Confident84Confident1 Ų156 Ų561%0.00632%0.318CS..Hα-helixtrans-69.5-37.9172.7-178.90000110.7F145 D148 G149 M155 A156 F184F145-V152 HydrophobicContact CB-CG1 4.45Å; F145-V152 HydrophobicContact CD1-CG1 3.75Å; F145-V152 HydrophobicContact CE1-CG1 4.44Å; F145-V152 HydrophobicContact CG-CG1 4.36Å; D148-V152 HydrophobicContact CB-CG2 4.38Å; D148-V152 VanDerWaalsContact O-CB 3.29Å; D148-V152 WeakPolarHBondContact O-CB 3.27Å; D148-V152 WeakPolarHBondContact O-CG2 3.4Å; G149-V152 PolarHBondContact O-N 2.98Å; V152-M155 HydrophobicContact CB-CE 4.32Å; V152-M155 HydrophobicContact CG1-CE 4.15Å; V152-M155 HydrophobicContact CG2-CE 4.09Å; V152-M155 WeakPolarHBondContact O-CB 3.38Å; V152-M155 PolarHBondContact O-N 2.85Å; V152-A156 WeakPolarHBondContact O-CB 3.42Å; V152-A156 PolarHBondContact O-N 2.97Å; V152-F184 HydrophobicContact CG1-CD1 4.28Å; V152-F184 HydrophobicContact CG1-CE1 4.35Å; V152-F184 HydrophobicContact CG2-CE1 3.82Å; V152-F184 HydrophobicContact CG2-CE2 4.27Å; V152-F184 HydrophobicContact CG2-CZ 3.68Å
153K88.9Confident83.8Confident154 Ų15454.5 Ų54.567%0.6731%0.31SS*.Hα-helixtrans-61.7-43.2174-169.8172.7-1761740112.5G149 M150 A156 T157G149-K153 PolarHBondContact O-N 2.89Å; M150-K153 PolarHBondContact O-N 3.15Å; K153-A156 PolarHBondContact O-N 2.89Å; K153-T157 PolarHBondContact O-N 3.18Å; K153-T157 VanDerWaalsContact O-N 3.08Å; K153-T157 PolarHBondContact O-OG1 3.36Å
154L88.9Confident83.6Confident53 Ų5353.9 Ų53.928%0.27731%0.305SS..Hα-helixtrans-65.9-37.1174.4179.757000112.2M150 H151 T157 M158 I285M150-L154 WeakPolarHBondContact O-CB 3.39Å; M150-L154 PolarHBondContact O-N 3.09Å; H151-L154 PolarHBondContact O-N 2.82Å; L154-T157 PolarHBondContact O-OG1 2.87Å; L154-T157 VanDerWaalsContact O-OG1 3.06Å; L154-M158 WeakPolarHBondContact O-CG 3.47Å; L154-M158 PolarHBondContact O-N 2.93Å; L154-M158 VanDerWaalsContact O-N 3.08Å; L154-I285 HydrophobicContact CD2-CD1 4.07Å; L154-I285 HydrophobicContact CD2-CG2 3.91Å
155M89.1Confident83.5Confident2 Ų254.7 Ų54.71%0.0132%0.318CS..Hα-helixtrans-66.2-41.9174.5175.9169.354.900112.3L107 F109 F145 H151 V152 M158 F159 I191L107-M155 HydrophobicContact CD1-CB 4.26Å; L107-M155 HydrophobicContact CD1-CG 4.18Å; F109-M155 HydrophobicContact CE1-SD 3.54Å; F109-M155 VanDerWaalsContact CE1-SD 3.54Å; F109-M155 HydrophobicContact CZ-CG 4.22Å; F109-M155 HydrophobicContact CZ-SD 3.71Å; F145-M155 HydrophobicContact CD1-CE 4.46Å; F145-M155 HydrophobicContact CE1-CE 3.8Å; F145-M155 HydrophobicContact CE1-CG 4.06Å; F145-M155 HydrophobicContact CE1-SD 4.26Å; H151-M155 WeakPolarHBondContact O-CB 3.49Å; H151-M155 PolarHBondContact O-N 3.39Å; V152-M155 HydrophobicContact CB-CE 4.32Å; V152-M155 HydrophobicContact CG1-CE 4.15Å; V152-M155 HydrophobicContact CG2-CE 4.09Å; V152-M155 WeakPolarHBondContact O-CB 3.38Å; V152-M155 PolarHBondContact O-N 2.85Å; M155-M158 PolarHBondContact O-N 3.41Å; M155-F159 HydrophobicContact CG-CD2 3.93Å; M155-F159 HydrophobicContact CG-CE2 3.36Å; M155-F159 HydrophobicContact CG-CZ 3.91Å; M155-F159 WeakPolarHBondContact O-CD2 3.35Å; M155-F159 PolarHBondContact O-N 3.33Å; M155-F159 HydrophobicContact SD-CE2 3.92Å; M155-F159 HydrophobicContact SD-CZ 4.28Å; M155-I191 HydrophobicContact CE-CD1 3.81Å; M155-I191 HydrophobicContact CE-CG1 4.3Å; M155-I191 HydrophobicContact SD-CD1 3.39Å; M155-I191 WeakPolarHBondContact SD-CD1 3.43Å; M155-I191 HydrophobicContact SD-CG1 4.36Å
156A90.1Very high83.6Confident10 Ų1056 Ų568%0.08333%0.326CS..Hα-helixtrans-60.5-46.8175.200000111.6L142 F145 V152 K153 M158 F159 Q160L142-A156 HydrophobicContact CD1-CB 3.96Å; F145-A156 HydrophobicContact CB-CB 4.06Å; F145-A156 HydrophobicContact CD1-CB 3.97Å; F145-A156 HydrophobicContact CG-CB 4.4Å; V152-A156 WeakPolarHBondContact O-CB 3.42Å; V152-A156 PolarHBondContact O-N 2.97Å; K153-A156 PolarHBondContact O-N 2.89Å; A156-M158 VanDerWaalsContact C-N 3.31Å; A156-M158 PolarHBondContact O-N 2.84Å; A156-F159 PolarHBondContact O-N 2.95Å; A156-Q160 WeakPolarHBondContact O-CB 3.38Å; A156-Q160 VanDerWaalsContact O-CG 3.29Å; A156-Q160 WeakPolarHBondContact O-CG 3.31Å; A156-Q160 PolarHBondContact O-N 2.54Å
157T89.8Confident84.4Confident54 Ų5458.1 Ų58.133%0.33132%0.322SS..Hα-helixtrans-66.2-31.5177.759.20000112.4K153 L154 N161K153-T157 PolarHBondContact O-N 3.18Å; K153-T157 VanDerWaalsContact O-N 3.08Å; K153-T157 PolarHBondContact O-OG1 3.36Å; L154-T157 PolarHBondContact O-OG1 2.87Å; L154-T157 VanDerWaalsContact O-OG1 3.06Å; T157-N161 VanDerWaalsContact O-CB 3.26Å; T157-N161 WeakPolarHBondContact O-CB 3.42Å; T157-N161 PolarHBondContact O-N 2.88Å; T157-N161 PolarHBondContact O-ND2 3.41Å
158M89.5Confident85Confident6 Ų658.4 Ų58.43%0.0332%0.323CS..Hα-helixtrans-64.3-47.7170.3-73.4-135.9-16300112.7L98 P105 L107 L154 M155 A156 N161 M162L98-M158 HydrophobicContact CD2-CB 4.18Å; L98-M158 HydrophobicContact CG-SD 4.4Å; P105-M158 HydrophobicContact CB-CE 3.52Å; P105-M158 HydrophobicContact CG-CE 3.71Å; P105-M158 WeakPolarHBondContact O-CE 3.47Å; L107-M158 HydrophobicContact CD1-CB 4.05Å; L107-M158 HydrophobicContact CD1-CE 4.26Å; L107-M158 HydrophobicContact CD1-CG 4.01Å; L107-M158 HydrophobicContact CD1-SD 3.71Å; L107-M158 HydrophobicContact CD2-CE 3.96Å; L107-M158 HydrophobicContact CD2-SD 4.47Å; L107-M158 HydrophobicContact CG-CE 3.76Å; L107-M158 HydrophobicContact CG-SD 3.71Å; L154-M158 WeakPolarHBondContact O-CG 3.47Å; L154-M158 PolarHBondContact O-N 2.93Å; L154-M158 VanDerWaalsContact O-N 3.08Å; M155-M158 PolarHBondContact O-N 3.41Å; A156-M158 VanDerWaalsContact C-N 3.31Å; A156-M158 PolarHBondContact O-N 2.84Å; M158-N161 PolarHBondContact O-N 3.42Å; M158-M162 PolarHBondContact O-N 2.86Å
159F90.1Very high85.6Confident2 Ų264.4 Ų64.41%0.00935%0.35CS..Hα-helixtrans-64.5-40.7178.8-65.6-40.9000111.8L98 F109 L140 L142 F145 M155 A156 M162 F163 F182L98-F159 HydrophobicContact CD2-CD1 3.78Å; L98-F159 HydrophobicContact CD2-CE1 3.69Å; F109-F159 HydrophobicContact CE2-CZ 4.35Å; F109-F159 HydrophobicContact CZ-CE1 4.48Å; F109-F159 AromaticContact CZ-CZ 3.86Å; F109-F159 HydrophobicContact CZ-CZ 3.86Å; L140-F159 HydrophobicContact CD1-CB 4.45Å; L140-F159 VanDerWaalsContact CD2-C 3.5Å; L140-F159 HydrophobicContact CD2-CB 4.18Å; L140-F159 WeakPolarHBondContact CD2-O 3.36Å; L142-F159 HydrophobicContact CD2-CB 4.19Å; L142-F159 HydrophobicContact CD2-CD2 4.28Å; F145-F159 AromaticContact CE1-CD2 3.97Å; F145-F159 HydrophobicContact CE1-CD2 3.97Å; F145-F159 AromaticContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CZ-CD2 4.21Å; F145-F159 HydrophobicContact CZ-CE2 4Å; M155-F159 HydrophobicContact CG-CD2 3.93Å; M155-F159 HydrophobicContact CG-CE2 3.36Å; M155-F159 HydrophobicContact CG-CZ 3.91Å; M155-F159 WeakPolarHBondContact O-CD2 3.35Å; M155-F159 PolarHBondContact O-N 3.33Å; M155-F159 HydrophobicContact SD-CE2 3.92Å; M155-F159 HydrophobicContact SD-CZ 4.28Å; A156-F159 PolarHBondContact O-N 2.95Å; F159-M162 WeakPolarHBondContact O-CB 3.46Å; F159-M162 PolarHBondContact O-N 3.47Å; F159-F163 WeakPolarHBondContact O-CD2 3.48Å; F159-F182 HydrophobicContact CB-CE2 4.46Å; F159-F182 HydrophobicContact CD1-CD1 4.5Å; F159-F182 AromaticContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE2 4.26Å; F159-F182 AromaticContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD2-CD1 4.07Å; F159-F182 HydrophobicContact CD2-CE1 4.19Å; F159-F182 HydrophobicContact CD2-CG 4.24Å; F159-F182 HydrophobicContact CD2-CZ 4.48Å; F159-F182 HydrophobicContact CE1-CD1 4.2Å; F159-F182 AromaticContact CE1-CE1 3.47Å; F159-F182 HydrophobicContact CE1-CE1 3.47Å; F159-F182 VanDerWaalsContact CE1-CE1 3.47Å; F159-F182 AromaticContact CE1-CZ 3.79Å; F159-F182 HydrophobicContact CE1-CZ 3.79Å; F159-F182 AromaticContact CE2-CD1 3.72Å; F159-F182 HydrophobicContact CE2-CD1 3.72Å; F159-F182 AromaticContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CG 4.31Å; F159-F182 HydrophobicContact CG-CD1 4.45Å; F159-F182 HydrophobicContact CG-CE1 4.17Å; F159-F182 HydrophobicContact CG-CE2 4.24Å; F159-F182 HydrophobicContact CG-CZ 4.06Å; F159-F182 AromaticContact CZ-CD1 3.81Å; F159-F182 HydrophobicContact CZ-CD1 3.81Å; F159-F182 AromaticContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CZ 4.25Å
160Q89.2Confident85.8Confident109 Ų10970.5 Ų70.551%0.50936%0.363SS..Hα-helixtrans-57.4-49.4172.4-73.4169.2-1200111.9L140 L142 A156 M162 F163L140-Q160 HydrophobicContact CD2-CB 4.36Å; L140-Q160 HydrophobicContact CD2-CG 4Å; L142-Q160 HydrophobicContact CD1-CG 4.05Å; A156-Q160 WeakPolarHBondContact O-CB 3.38Å; A156-Q160 VanDerWaalsContact O-CG 3.29Å; A156-Q160 WeakPolarHBondContact O-CG 3.31Å; A156-Q160 PolarHBondContact O-N 2.54Å; Q160-M162 PolarHBondContact O-N 3.41Å; Q160-F163 PolarHBondContact O-N 3.29Å; Q160-F163 VanDerWaalsContact O-O 3.07Å
161N89Confident85.6Confident66 Ų6664 Ų6435%0.35333%0.333SS..Hα-helixtrans-67.1-20.1-180-90-86000114.2P28 H83 R100 T157 M158 F163P28-N161 WeakPolarHBondContact CB-O 3.5Å; P28-N161 WeakPolarHBondContact CG-O 3.36Å; H83-N161 PolarHBondContact CE1-O 2.85Å; R100-N161 PolarHBondContact NH1-OD1 3.33Å; R100-N161 PolarHBondContact NH2-OD1 2.97Å; T157-N161 VanDerWaalsContact O-CB 3.26Å; T157-N161 WeakPolarHBondContact O-CB 3.42Å; T157-N161 PolarHBondContact O-N 2.88Å; T157-N161 PolarHBondContact O-ND2 3.41Å; M158-N161 PolarHBondContact O-N 3.42Å; N161-F163 PolarHBondContact O-N 3.37Å
162M86.7Confident85.4Confident5 Ų566.9 Ų66.93%0.02535%0.35CS..THydrogen-bonded Turntrans-74-14.4-179.8-163.2179.76200112.8M53 H83 V85 L98 M158 F159 Q160 F182M53-M162 HydrophobicContact CE-CE 3.84Å; M53-M162 HydrophobicContact CE-CG 3.7Å; M53-M162 HydrophobicContact CE-SD 3.99Å; M53-M162 HydrophobicContact SD-CE 3.96Å; H83-M162 HydrophobicContact CB-CG 4.22Å; V85-M162 HydrophobicContact CG2-SD 4.19Å; L98-M162 HydrophobicContact CD1-SD 3.73Å; L98-M162 HydrophobicContact CD2-SD 4.29Å; M158-M162 PolarHBondContact O-N 2.86Å; F159-M162 WeakPolarHBondContact O-CB 3.46Å; F159-M162 PolarHBondContact O-N 3.47Å; Q160-M162 PolarHBondContact O-N 3.41Å; M162-F182 HydrophobicContact CE-CZ 4.48Å
163F87.4Confident85Confident14 Ų1468.8 Ų68.86%0.06136%0.36CS..SBendtrans-121.1158176.4-62.8-75.5000110.8P28 M53 P138 L140 F159 Q160 N161 V180P28-F163 VanDerWaalsContact CG-C 3.45Å; P28-F163 WeakPolarHBondContact CG-O 3.32Å; M53-F163 HydrophobicContact CE-CD1 4.1Å; M53-F163 HydrophobicContact CE-CE1 3.47Å; M53-F163 VanDerWaalsContact CE-CE1 3.47Å; M53-F163 HydrophobicContact CE-CZ 3.75Å; M53-F163 HydrophobicContact SD-CE1 3.52Å; M53-F163 VanDerWaalsContact SD-CE1 3.52Å; M53-F163 HydrophobicContact SD-CZ 3.5Å; M53-F163 VanDerWaalsContact SD-CZ 3.5Å; P138-F163 HydrophobicContact CG-CD1 3.88Å; P138-F163 HydrophobicContact CG-CE1 3.42Å; P138-F163 VanDerWaalsContact CG-CE1 3.42Å; P138-F163 HydrophobicContact CG-CZ 4.2Å; L140-F163 HydrophobicContact CB-CD2 4.05Å; L140-F163 HydrophobicContact CD1-CD2 4.08Å; L140-F163 HydrophobicContact CD1-CE2 3.92Å; L140-F163 HydrophobicContact CD2-CD2 4.39Å; L140-F163 HydrophobicContact CG-CD2 4.41Å; F159-F163 WeakPolarHBondContact O-CD2 3.48Å; Q160-F163 PolarHBondContact O-N 3.29Å; Q160-F163 VanDerWaalsContact O-O 3.07Å; N161-F163 PolarHBondContact O-N 3.37Å; F163-V180 HydrophobicContact CZ-CB 4.45Å; F163-V180 HydrophobicContact CZ-CG2 4.12Å
164P85.6Confident84.7Confident22 Ų2264 Ų6414%0.14334%0.341CS..  trans-59.9140173-17.629.5000110.8V27 Y56 H137 I166V27-P164 HydrophobicContact CG1-CG 4.28Å; Y56-P164 HydrophobicContact CD2-CG 4.06Å; Y56-P164 HydrophobicContact CE2-CG 3.73Å; H137-P164 HydrophobicContact CB-CG 4.35Å; P164-I166 WeakPolarHBondContact O-CG1 3.32Å
165S81.4Confident84.3Confident111 Ų11163.5 Ų63.578%0.77634%0.341SS*.  trans-69144.2171.751.30000111.2
166I81.1Confident84.1Confident60 Ų6064.7 Ų64.731%0.30835%0.347SS..  trans-119.4102-165.3-57.9-172.6000109.5L139 P164 V168 V171L139-I166 HydrophobicContact CD2-CD1 3.36Å; P164-I166 WeakPolarHBondContact O-CG1 3.32Å; I166-V168 PolarHBondContact O-N 3.21Å; I166-V171 HydrophobicContact CG2-CB 4.4Å; I166-V171 HydrophobicContact CG2-CG1 4.24Å; I166-V171 HydrophobicContact CG2-CG2 3.69Å
167N80.3Confident83.9Confident109 Ų10966.2 Ų66.258%0.58335%0.351SS*.  trans-80.597.1179.6-67.7-43.8000110.3Q169 K170 V171N167-Q169 PolarHBondContact O-N 3.2Å; N167-K170 HydrophobicContact CB-CB 4.47Å; N167-K170 PolarHBondContact O-N 3.3Å; N167-V171 WeakPolarHBondContact O-CG2 3.37Å; N167-V171 PolarHBondContact O-N 2.8Å
168V79.3Confident84Confident132 Ų13263.7 Ų63.780%0.834%0.336SS*.G310 helixtrans-41.8-46.3-172.7-175.30000113.6I166 K170I166-V168 PolarHBondContact O-N 3.21Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.38Å
169Q78.6Confident84Confident186 Ų18663.5 Ų63.587%0.86934%0.335SS*.G310 helixtrans-66.4-21.3-178.7-65.9175.4-20.100115.7N167N167-Q169 PolarHBondContact O-N 3.2Å
170K80.8Confident84.1Confident174 Ų17463.4 Ų63.476%0.75733%0.334SS*.G310 helixtrans-116.46.1-170.8-66-176.5179.1176.60113.6N167 V168N167-K170 HydrophobicContact CB-CB 4.47Å; N167-K170 PolarHBondContact O-N 3.3Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.38Å
171V80.3Confident84.3Confident30 Ų3060 Ų6018%0.18232%0.32CS..  trans-99.2130.8-171.9168.60000110.5I166 N167 I176 Q254I166-V171 HydrophobicContact CG2-CB 4.4Å; I166-V171 HydrophobicContact CG2-CG1 4.24Å; I166-V171 HydrophobicContact CG2-CG2 3.69Å; N167-V171 WeakPolarHBondContact O-CG2 3.37Å; N167-V171 PolarHBondContact O-N 2.8Å; V171-I176 HydrophobicContact CG1-CD1 3.86Å; V171-I176 HydrophobicContact CG1-CG1 4.32Å; V171-Q254 PolarHBondContact O-NE2 3.4Å; V171-Q254 PolarHBondContact O-OE1 2.98Å
172N80.6Confident84.4Confident105 Ų10557.1 Ų57.156%0.56130%0.304SS*.  trans-81.1119.2175.1-64.9-40.8000109.3N174 T175N172-N174 PolarHBondContact O-N 2.88Å; N172-T175 PolarHBondContact O-N 2.83Å; N172-T175 PolarHBondContact O-OG1 3.12Å
173L79Confident84.7Confident41 Ų4158.3 Ų58.322%0.21531%0.313CS..G310 helixtrans-56.7-26.9179.6-60.7-174.1000112.4T175 I176 P253 Q254 Y256L173-T175 PolarHBondContact O-N 3.33Å; L173-I176 HydrophobicContact CD2-CD1 4.13Å; L173-I176 WeakPolarHBondContact O-CB 3.36Å; L173-I176 PolarHBondContact O-N 2.95Å; L173-P253 HydrophobicContact CD1-CG 4.2Å; L173-Q254 HydrophobicContact CD1-CB 3.99Å; L173-Q254 HydrophobicContact CG-CB 4.11Å; L173-Q254 HydrophobicContact CG-CG 4.39Å; L173-Y256 HydrophobicContact CB-CD2 4.02Å; L173-Y256 WeakPolarHBondContact O-CE2 3.15Å
174N81.3Confident84.9Confident53 Ų5358 Ų5828%0.28331%0.311SS..G310 helixtrans-63.7-16.4177.6-69.6-54.9000115.9N172 K177 M255 Y256 S257N172-N174 PolarHBondContact O-N 2.88Å; N174-K177 WeakPolarHBondContact O-CE 3.45Å; N174-M255 PolarHBondContact ND2-O 2.98Å; N174-Y256 WeakPolarHBondContact OD1-CA 3.48Å; N174-S257 WeakPolarHBondContact OD1-CB 3.43Å; N174-S257 PolarHBondContact OD1-N 3.16Å; N174-S257 PolarHBondContact OD1-OG 3.47Å
175T82.4Confident85.2Confident43 Ų4360 Ų6026%0.26432%0.321SS..G310 helixtrans-85.9-20.8170.562.10000112.3H136 N172 L173 K177H136-T175 WeakPolarHBondContact CB-O 3.43Å; N172-T175 PolarHBondContact O-N 2.83Å; N172-T175 PolarHBondContact O-OG1 3.12Å; L173-T175 PolarHBondContact O-N 3.33Å; T175-K177 PolarHBondContact O-N 3.46Å; T175-K177 VanDerWaalsContact O-N 3.11Å
176I84.6Confident85.3Confident27 Ų2757.6 Ų57.614%0.13830%0.303CS..  trans-79.893.5-178.4-61.7177.1000109.3L139 V171 L173 L198 Y256L139-I176 HydrophobicContact CD1-CD1 4.47Å; L139-I176 HydrophobicContact CD1-CG2 3.57Å; L139-I176 HydrophobicContact CD2-CD1 4.02Å; L139-I176 HydrophobicContact CD2-CG1 3.99Å; L139-I176 HydrophobicContact CD2-CG2 4.23Å; L139-I176 HydrophobicContact CG-CG2 3.83Å; V171-I176 HydrophobicContact CG1-CD1 3.86Å; V171-I176 HydrophobicContact CG1-CG1 4.32Å; L173-I176 HydrophobicContact CD2-CD1 4.13Å; L173-I176 WeakPolarHBondContact O-CB 3.36Å; L173-I176 PolarHBondContact O-N 2.95Å; I176-L198 HydrophobicContact CG2-CD1 4.18Å; I176-L198 HydrophobicContact CG2-CD2 4.39Å; I176-Y256 PolarHBondContact O-OH 3.31Å; I176-Y256 VanDerWaalsContact O-OH 3.12Å
177K86.1Confident85.5Confident42 Ų4259.2 Ų59.218%0.18333%0.325CS..  trans-120-13.9179.1-63.2175.9-175.7161.70114.2Q132 Q133 H136 N174 T175 S197 L198Q132-K177 WeakPolarHBondContact O-CD 3.45Å; Q132-K177 PolarHBondContact O-NZ 2.88Å; Q132-K177 VanDerWaalsContact O-NZ 3.13Å; Q133-K177 HydrophobicContact CB-CB 4.45Å; Q133-K177 HydrophobicContact CG-CB 4.3Å; H136-K177 PolarHBondContact CD2-NZ 3.13Å; H136-K177 PolarHBondContact NE2-NZ 3.43Å; N174-K177 WeakPolarHBondContact O-CE 3.45Å; T175-K177 PolarHBondContact O-N 3.46Å; T175-K177 VanDerWaalsContact O-N 3.11Å; K177-S197 VanDerWaalsContact O-CA 3.32Å; K177-S197 WeakPolarHBondContact O-CA 3.33Å; K177-S197 PolarHBondContact O-OG 2.91Å; K177-L198 PolarHBondContact O-N 3.31Å; K177-L198 VanDerWaalsContact O-N 3.07Å
178R90.1Very high85.7Confident1 Ų156.2 Ų56.20%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-140148.6-175.2-60.9-172.7-64.4126.7-10110.9V52 Q54 Q133 H136 P138 L139 H195 Y196V52-R178 PolarHBondContact O-NH1 2.85Å; Q54-R178 PolarHBondContact O-NH2 2.82Å; Q133-R178 HydrophobicContact CB-CG 4.03Å; Q133-R178 WeakPolarHBondContact O-CD 3.41Å; Q133-R178 PolarHBondContact O-NE 3.42Å; H136-R178 PolarHBondContact O-NH2 2.87Å; P138-R178 CarbonylContact C-O 3.6Å; P138-R178 VanDerWaalsContact CA-O 3.28Å; P138-R178 WeakPolarHBondContact CA-O 3.42Å; P138-R178 HydrophobicContact CB-CB 3.98Å; L139-R178 PolarHBondContact N-O 3.05Å; R178-H195 PolarHBondContact NH1-NE2 3.14Å; R178-Y196 CarbonylContact C-O 3.55Å; R178-Y196 WeakPolarHBondContact CA-O 3.36Å
179C90.4Very high86Confident1 Ų153.6 Ų53.61%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-134.9145.5169.953.90000110.9L139 I141 H195 Y196 L198L139-C179 HydrophobicContact CB-CB 4.03Å; L139-C179 CarbonylContact O-C 3.57Å; L139-C179 WeakPolarHBondContact O-CA 3.49Å; I141-C179 HydrophobicContact CD1-CB 3.98Å; I141-C179 HydrophobicContact CG1-CB 4.43Å; C179-H195 WeakPolarHBondContact O-CA 3.33Å; C179-H195 PolarHBondContact O-CD2 3.42Å; C179-Y196 PolarHBondContact N-O 2.9Å; C179-Y196 PolarHBondContact O-N 3.31Å; C179-L198 HydrophobicContact CB-CD1 3.96Å
180V92.1Very high86.6Confident0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-106.9120.6168.9176.40000107V52 P138 L139 I141 F163 F182 F193 H195V52-V180 HydrophobicContact CG1-CG2 3.51Å; P138-V180 HydrophobicContact CB-CG2 3.96Å; P138-V180 HydrophobicContact CG-CG2 3.91Å; L139-V180 PolarHBondContact O-N 2.91Å; I141-V180 PolarHBondContact N-O 3.14Å; F163-V180 HydrophobicContact CZ-CB 4.45Å; F163-V180 HydrophobicContact CZ-CG2 4.12Å; V180-F182 HydrophobicContact CG1-CD2 3.88Å; V180-F182 HydrophobicContact CG1-CE2 3.45Å; V180-F182 VanDerWaalsContact CG1-CE2 3.45Å; V180-F182 HydrophobicContact CG1-CZ 4.19Å; V180-F193 HydrophobicContact CG1-CD2 3.88Å; V180-F193 HydrophobicContact CG1-CE2 3.44Å; V180-F193 VanDerWaalsContact CG1-CE2 3.44Å; V180-F193 HydrophobicContact CG1-CZ 4.29Å; V180-H195 HydrophobicContact CG2-CB 4.33Å
181L92.6Very high87.2Confident39 Ų3938.5 Ų38.520%0.20422%0.224CC..EExtended strand (participates in β ladder)trans-98124172.3176.564.1000108.6I141 R194 Y196I141-L181 HydrophobicContact CB-CD1 3.96Å; I141-L181 HydrophobicContact CG2-CD1 3.66Å; L181-R194 PolarHBondContact N-O 3.47Å; L181-R194 PolarHBondContact O-N 3.21Å; L181-Y196 HydrophobicContact CB-CE2 4.19Å; L181-Y196 HydrophobicContact CD2-CE2 4.2Å
182F92.8Very high87.9Confident4 Ų440.6 Ų40.62%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-105124.5154.8-62.2-102.7000107.1L140 I141 L142 S143 F145 F159 M162 V180 I191 Q192 F193L140-F182 HydrophobicContact CD1-CD2 3.49Å; L140-F182 VanDerWaalsContact CD1-CD2 3.49Å; L140-F182 HydrophobicContact CD1-CE2 3.53Å; I141-F182 PolarHBondContact O-N 2.82Å; L142-F182 WeakPolarHBondContact CA-O 3.16Å; L142-F182 HydrophobicContact CD2-CB 3.85Å; L142-F182 HydrophobicContact CD2-CD2 3.99Å; L142-F182 HydrophobicContact CD2-CG 4.2Å; S143-F182 PolarHBondContact N-O 2.84Å; F145-F182 HydrophobicContact CE2-CB 3.61Å; F145-F182 HydrophobicContact CZ-CB 3.8Å; F159-F182 HydrophobicContact CB-CE2 4.46Å; F159-F182 HydrophobicContact CD1-CD1 4.5Å; F159-F182 AromaticContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE2 4.26Å; F159-F182 AromaticContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD2-CD1 4.07Å; F159-F182 HydrophobicContact CD2-CE1 4.19Å; F159-F182 HydrophobicContact CD2-CG 4.24Å; F159-F182 HydrophobicContact CD2-CZ 4.48Å; F159-F182 HydrophobicContact CE1-CD1 4.2Å; F159-F182 AromaticContact CE1-CE1 3.47Å; F159-F182 HydrophobicContact CE1-CE1 3.47Å; F159-F182 VanDerWaalsContact CE1-CE1 3.47Å; F159-F182 AromaticContact CE1-CZ 3.79Å; F159-F182 HydrophobicContact CE1-CZ 3.79Å; F159-F182 AromaticContact CE2-CD1 3.72Å; F159-F182 HydrophobicContact CE2-CD1 3.72Å; F159-F182 AromaticContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CG 4.31Å; F159-F182 HydrophobicContact CG-CD1 4.45Å; F159-F182 HydrophobicContact CG-CE1 4.17Å; F159-F182 HydrophobicContact CG-CE2 4.24Å; F159-F182 HydrophobicContact CG-CZ 4.06Å; F159-F182 AromaticContact CZ-CD1 3.81Å; F159-F182 HydrophobicContact CZ-CD1 3.81Å; F159-F182 AromaticContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CZ 4.25Å; M162-F182 HydrophobicContact CE-CZ 4.48Å; V180-F182 HydrophobicContact CG1-CD2 3.88Å; V180-F182 HydrophobicContact CG1-CE2 3.45Å; V180-F182 VanDerWaalsContact CG1-CE2 3.45Å; V180-F182 HydrophobicContact CG1-CZ 4.19Å; F182-I191 HydrophobicContact CB-CG2 4.3Å; F182-I191 HydrophobicContact CD1-CG2 3.92Å; F182-Q192 WeakPolarHBondContact CA-O 3.34Å; F182-F193 HydrophobicContact CD1-CB 4.49Å; F182-F193 HydrophobicContact CD1-CD2 4.15Å; F182-F193 AromaticContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CE2 4.36Å; F182-F193 HydrophobicContact CE2-CD2 4.16Å; F182-F193 HydrophobicContact CE2-CE2 4.4Å; F182-F193 AromaticContact CZ-CD2 3.63Å; F182-F193 HydrophobicContact CZ-CD2 3.63Å; F182-F193 AromaticContact CZ-CE2 3.95Å; F182-F193 HydrophobicContact CZ-CE2 3.95Å
183S92.8Very high88.5Confident31 Ų3135.8 Ų35.822%0.21721%0.206CC..EExtended strand (participates in β ladder)trans-115.1127.3168.9-177.60000108.2S143 I191 Q192S143-S183 PolarHBondContact OG-OG 3.5Å; S183-I191 CarbonylContact O-C 3.47Å; S183-I191 WeakPolarHBondContact O-CA 3.3Å; S183-Q192 PolarHBondContact N-O 3.44Å; S183-Q192 PolarHBondContact O-N 2.73Å
184F91.5Very high89.2Confident7 Ų737.5 Ų37.53%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-98.3131.4176.3179.2-116.5000109.9S143 N144 F145 D148 V152 P186 I191S143-F184 PolarHBondContact O-N 3.46Å; N144-F184 HydrophobicContact CB-CB 4.43Å; N144-F184 VanDerWaalsContact CB-O 3.26Å; N144-F184 WeakPolarHBondContact CB-O 3.37Å; N144-F184 PolarHBondContact ND2-O 2.93Å; F145-F184 HydrophobicContact CD2-CB 4.05Å; F145-F184 HydrophobicContact CE2-CB 3.76Å; F145-F184 HydrophobicContact CZ-CB 4.01Å; D148-F184 HydrophobicContact CB-CE1 4.06Å; V152-F184 HydrophobicContact CG1-CD1 4.28Å; V152-F184 HydrophobicContact CG1-CE1 4.35Å; V152-F184 HydrophobicContact CG2-CE1 3.82Å; V152-F184 HydrophobicContact CG2-CE2 4.27Å; V152-F184 HydrophobicContact CG2-CZ 3.68Å; F184-P186 HydrophobicContact CE1-CB 4Å; F184-I191 HydrophobicContact CD2-CG1 3.82Å; F184-I191 HydrophobicContact CE2-CG1 4.47Å
185D90.9Very high89.7Confident65 Ų6535.1 Ų35.135%0.34820%0.197SC..  trans-101.7113.5166.3171.226000109.2A187 S188 Q189 E190D185-A187 VanDerWaalsContact C-N 3.26Å; D185-A187 PolarHBondContact O-N 2.79Å; D185-A187 PolarHBondContact OD1-N 2.97Å; D185-S188 WeakPolarHBondContact OD2-CB 3.33Å; D185-S188 PolarHBondContact OD2-N 2.75Å; D185-S188 VanDerWaalsContact OD2-N 3.15Å; D185-S188 PolarHBondContact OD2-OG 3.35Å; D185-Q189 VanDerWaalsContact O-CA 3.28Å; D185-Q189 WeakPolarHBondContact O-CA 3.48Å; D185-Q189 PolarHBondContact O-N 3.42Å; D185-E190 PolarHBondContact N-O 3.11Å
186P83.8Confident90.1Very high60 Ų6034.8 Ų34.839%0.3919%0.191SC..THydrogen-bonded Turntrans-66.6-26.5-179.628.2-35.1000113F184F184-P186 HydrophobicContact CE1-CB 4Å
187A85.8Confident90.4Very high94 Ų9433.6 Ų33.678%0.77719%0.185SC*.THydrogen-bonded Turntrans-74-45-176.800000112.3D185D185-A187 VanDerWaalsContact C-N 3.26Å; D185-A187 PolarHBondContact O-N 2.79Å; D185-A187 PolarHBondContact OD1-N 2.97Å
188S85.2Confident90.4Very high46 Ų4633 Ų3332%0.32218%0.183SC..THydrogen-bonded Turntrans-91.9-12.9177.965.60000114.7D185 E190D185-S188 WeakPolarHBondContact OD2-CB 3.33Å; D185-S188 PolarHBondContact OD2-N 2.75Å; D185-S188 VanDerWaalsContact OD2-N 3.15Å; D185-S188 PolarHBondContact OD2-OG 3.35Å; S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CB 3.06Å; S188-E190 PolarHBondContact OG-N 3.31Å
189Q85.6Confident90.1Very high77 Ų7736.7 Ų36.736%0.3620%0.199SC..  trans56.219.9-166.4-55.4179.5-1.200113.4D185D185-Q189 VanDerWaalsContact O-CA 3.28Å; D185-Q189 WeakPolarHBondContact O-CA 3.48Å; D185-Q189 PolarHBondContact O-N 3.42Å
190E90.9Very high89.6Confident42 Ų4237.5 Ų37.520%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-79.8140.6171.4-68.3-165.4164.500111L112 K113 D185 S188 T279L112-E190 HydrophobicContact CD1-CG 3.97Å; L112-E190 WeakPolarHBondContact CD1-OE1 3.23Å; K113-E190 IonicContact NZ-OE1 3.94Å; D185-E190 PolarHBondContact N-O 3.11Å; S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CB 3.06Å; S188-E190 PolarHBondContact OG-N 3.31Å; E190-T279 HydrophobicContact CB-CG2 3.95Å; E190-T279 HydrophobicContact CG-CG2 3.83Å; E190-T279 WeakPolarHBondContact OE2-CG2 3.4Å
191I92.6Very high89Confident0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-113.2114.1173.1-55146.3000107.3F109 F145 M155 F182 S183 F184 L280F109-I191 HydrophobicContact CD1-CD1 4.05Å; F109-I191 HydrophobicContact CE1-CD1 3.58Å; F145-I191 HydrophobicContact CZ-CG2 4.02Å; M155-I191 HydrophobicContact CE-CD1 3.81Å; M155-I191 HydrophobicContact CE-CG1 4.3Å; M155-I191 HydrophobicContact SD-CD1 3.39Å; M155-I191 WeakPolarHBondContact SD-CD1 3.43Å; M155-I191 HydrophobicContact SD-CG1 4.36Å; F182-I191 HydrophobicContact CB-CG2 4.3Å; F182-I191 HydrophobicContact CD1-CG2 3.92Å; S183-I191 CarbonylContact O-C 3.47Å; S183-I191 WeakPolarHBondContact O-CA 3.3Å; F184-I191 HydrophobicContact CD2-CG1 3.82Å; F184-I191 HydrophobicContact CE2-CG1 4.47Å; I191-L280 HydrophobicContact CB-CB 4.24Å; I191-L280 PolarHBondContact N-O 3.5Å; I191-L280 PolarHBondContact O-N 2.84Å
192Q94.1Very high88.2Confident75 Ų7536.4 Ų36.435%0.3520%0.2SC..EExtended strand (participates in β ladder)trans-85116.5172.9-62.4-169.135.900109.8F182 S183F182-Q192 WeakPolarHBondContact CA-O 3.34Å; S183-Q192 PolarHBondContact N-O 3.44Å; S183-Q192 PolarHBondContact O-N 2.73Å
193F94.5Very high87.3Confident4 Ų438 Ų382%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-99124.4171.7169.5-89.1000110M49 V52 V180 F182 P276 M278M49-F193 HydrophobicContact CE-CE2 4.29Å; M49-F193 HydrophobicContact CE-CZ 4.22Å; M49-F193 HydrophobicContact SD-CE1 4.36Å; M49-F193 HydrophobicContact SD-CE2 4.39Å; M49-F193 HydrophobicContact SD-CZ 3.73Å; V52-F193 HydrophobicContact CG1-CZ 4.21Å; V52-F193 HydrophobicContact CG2-CZ 4.43Å; V180-F193 HydrophobicContact CG1-CD2 3.88Å; V180-F193 HydrophobicContact CG1-CE2 3.44Å; V180-F193 VanDerWaalsContact CG1-CE2 3.44Å; V180-F193 HydrophobicContact CG1-CZ 4.29Å; F182-F193 HydrophobicContact CD1-CB 4.49Å; F182-F193 HydrophobicContact CD1-CD2 4.15Å; F182-F193 AromaticContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CE2 4.36Å; F182-F193 HydrophobicContact CE2-CD2 4.16Å; F182-F193 HydrophobicContact CE2-CE2 4.4Å; F182-F193 AromaticContact CZ-CD2 3.63Å; F182-F193 HydrophobicContact CZ-CD2 3.63Å; F182-F193 AromaticContact CZ-CE2 3.95Å; F182-F193 HydrophobicContact CZ-CE2 3.95Å; F193-P276 HydrophobicContact CE1-CG 4.25Å; F193-M278 HydrophobicContact CB-CB 4.22Å; F193-M278 HydrophobicContact CD1-CB 4.18Å; F193-M278 HydrophobicContact CD1-CG 4.41Å; F193-M278 PolarHBondContact N-O 3.24Å; F193-M278 PolarHBondContact O-N 2.78Å; F193-M278 VanDerWaalsContact O-N 3.08Å
194R93.1Very high86Confident77 Ų7740.3 Ų40.329%0.29124%0.239SC..EExtended strand (participates in β ladder)trans-139.2151.3177.1-56.6-173.9-174.6-140.110.6110.1L181 Y196 E273L181-R194 PolarHBondContact N-O 3.47Å; L181-R194 PolarHBondContact O-N 3.21Å; R194-Y196 HydrophobicContact CB-CD2 4.47Å; R194-Y196 HydrophobicContact CB-CE2 3.67Å; R194-Y196 WeakPolarHBondContact CD-OH 3.41Å; R194-E273 IonicContact NH1-OE1 2.65Å
195H91.9Very high84.8Confident3 Ų341.9 Ų41.91%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-137.7122179.4162.9-103.3000111.3V52 R178 C179 V180 I274 G275V52-H195 HydrophobicContact CG1-CB 4.44Å; V52-H195 HydrophobicContact CG2-CB 4.29Å; R178-H195 PolarHBondContact NH1-NE2 3.14Å; C179-H195 WeakPolarHBondContact O-CA 3.33Å; C179-H195 PolarHBondContact O-CD2 3.42Å; V180-H195 HydrophobicContact CG2-CB 4.33Å; H195-I274 PolarHBondContact O-N 2.71Å; H195-G275 WeakPolarHBondContact ND1-CA 3.2Å; H195-G275 PolarHBondContact ND1-N 3.08Å; H195-G275 VanDerWaalsContact ND1-N 3.15Å; H195-G275 PolarHBondContact O-N 2.78Å
196Y91.6Very high83.6Confident35 Ų3541 Ų4114%0.13725%0.246CC..EExtended strand (participates in β ladder)trans-118.8154.3-172.9-54.3-92.8000111.1R178 C179 L181 R194 L271 T272 E273R178-Y196 CarbonylContact C-O 3.55Å; R178-Y196 WeakPolarHBondContact CA-O 3.36Å; C179-Y196 PolarHBondContact N-O 2.9Å; C179-Y196 PolarHBondContact O-N 3.31Å; L181-Y196 HydrophobicContact CB-CE2 4.19Å; L181-Y196 HydrophobicContact CD2-CE2 4.2Å; R194-Y196 HydrophobicContact CB-CD2 4.47Å; R194-Y196 HydrophobicContact CB-CE2 3.67Å; R194-Y196 WeakPolarHBondContact CD-OH 3.41Å; Y196-L271 HydrophobicContact CD1-CB 4.06Å; Y196-L271 HydrophobicContact CG-CB 4.33Å; Y196-L271 HydrophobicContact CG-CD1 4.38Å; Y196-T272 CarbonylContact C-O 3.55Å; Y196-T272 WeakPolarHBondContact CA-O 3.44Å; Y196-E273 HydrophobicContact CD1-CB 4.37Å; Y196-E273 HydrophobicContact CD1-CG 3.5Å; Y196-E273 VanDerWaalsContact CD1-CG 3.5Å; Y196-E273 HydrophobicContact CE1-CG 3.3Å
197S89.8Confident82.6Confident3 Ų343.5 Ų43.52%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-91.1140.1156.3-163.30000110Q133 K177 L271 T272Q133-S197 PolarHBondContact NE2-OG 2.82Å; K177-S197 VanDerWaalsContact O-CA 3.32Å; K177-S197 WeakPolarHBondContact O-CA 3.33Å; K177-S197 PolarHBondContact O-OG 2.91Å; S197-L271 WeakPolarHBondContact O-CA 3.4Å; S197-T272 PolarHBondContact N-O 2.82Å; S197-T272 PolarHBondContact O-N 2.84Å; S197-T272 PolarHBondContact O-OG1 2.96Å
198L86.3Confident81.5Confident28 Ų2839.5 Ų39.515%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-86.9136168.5-52.691.1000109.3I176 K177 C179 V269 L271I176-L198 HydrophobicContact CG2-CD1 4.18Å; I176-L198 HydrophobicContact CG2-CD2 4.39Å; K177-L198 PolarHBondContact O-N 3.31Å; K177-L198 VanDerWaalsContact O-N 3.07Å; C179-L198 HydrophobicContact CB-CD1 3.96Å; L198-V269 HydrophobicContact CB-CG1 4.35Å; L198-V269 HydrophobicContact CD2-CG1 3.95Å; L198-L271 HydrophobicContact CB-CD2 4.39Å; L198-L271 HydrophobicContact CD2-CD2 4.42Å; L198-L271 HydrophobicContact CG-CD2 3.91Å
199K83.7Confident80.7Confident79 Ų7940.3 Ų40.334%0.34322%0.215SC..EExtended strand (participates in β ladder)trans-127.3101.1169.6-177.8-155.9176.8-160.60108V201 R270K199-V201 HydrophobicContact CD-CG2 3.74Å; K199-V201 HydrophobicContact CG-CG2 4.05Å; K199-V201 PolarHBondContact O-N 2.77Å; K199-R270 PolarHBondContact N-O 3.01Å; K199-R270 PolarHBondContact O-N 2.87Å
200V80.6Confident79.8Confident19 Ų1939.3 Ų39.312%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-65.7125.5168.3-173.50000108.7L252 Y256 N261V200-L252 HydrophobicContact CG1-CD1 3.88Å; V200-L252 HydrophobicContact CG1-CD2 3.83Å; V200-L252 HydrophobicContact CG1-CG 4.39Å; V200-Y256 HydrophobicContact CB-CD1 3.73Å; V200-Y256 HydrophobicContact CB-CE1 3.93Å; V200-Y256 HydrophobicContact CB-CG 4.11Å; V200-Y256 HydrophobicContact CG2-CD1 3.83Å; V200-Y256 HydrophobicContact CG2-CD2 3.89Å; V200-Y256 HydrophobicContact CG2-CE1 3.81Å; V200-Y256 HydrophobicContact CG2-CE2 3.87Å; V200-Y256 HydrophobicContact CG2-CG 3.87Å; V200-N261 VanDerWaalsContact CG1-ND2 3.26Å; V200-N261 WeakPolarHBondContact CG1-ND2 3.26Å; V200-N261 PolarHBondContact O-ND2 3.42Å
201V78.9Confident78.6Confident4 Ų441.2 Ų41.22%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-121.6125178.5176.80000107.8K199 S267 A268 R270K199-V201 HydrophobicContact CD-CG2 3.74Å; K199-V201 HydrophobicContact CG-CG2 4.05Å; K199-V201 PolarHBondContact O-N 2.77Å; V201-S267 CarbonylContact O-C 3.56Å; V201-S267 VanDerWaalsContact O-CA 3.31Å; V201-S267 WeakPolarHBondContact O-CA 3.1Å; V201-A268 PolarHBondContact N-O 2.92Å; V201-A268 PolarHBondContact O-N 2.87Å; V201-R270 HydrophobicContact CG2-CB 4.48Å; V201-R270 HydrophobicContact CG2-CG 4.12Å
202P75.3Confident77.3Confident12 Ų1244.6 Ų44.68%0.07824%0.235CC..EExtended strand (participates in β ladder)trans-70.9140.6-179.929.6-32.8000110.8M205 G260 N261P202-M205 HydrophobicContact CB-CE 3.52Å; P202-M205 HydrophobicContact CG-CE 3.32Å; P202-G260 WeakPolarHBondContact CB-O 3.42Å; P202-N261 WeakPolarHBondContact CD-OD1 3.46Å
203V74.2Confident76Confident36 Ų3644.3 Ų44.322%0.21823%0.234CC..SBendtrans-101.6160.7178.1176.80000108.5M205 I249 Q266 A268V203-M205 VanDerWaalsContact C-N 3.34Å; V203-M205 PolarHBondContact O-N 3.36Å; V203-I249 HydrophobicContact CG1-CD1 4.41Å; V203-Q266 HydrophobicContact CB-CB 4.46Å; V203-Q266 PolarHBondContact N-O 2.81Å; V203-A268 HydrophobicContact CG2-CB 3.72Å
204G66.3Low74.7Confident81 Ų8148.9 Ų48.984%0.83526%0.256SS*.SBendtrans78.46.5-179.700000116
205M66.3Low73.2Confident40 Ų4052.7 Ų52.720%0.19728%0.277CS..  trans-110.6132.6170.5-74.5-170-76.500111.8P202 V203 I209 M213P202-M205 HydrophobicContact CB-CE 3.52Å; P202-M205 HydrophobicContact CG-CE 3.32Å; V203-M205 VanDerWaalsContact C-N 3.34Å; V203-M205 PolarHBondContact O-N 3.36Å; M205-I209 HydrophobicContact CB-CG2 4.49Å; M205-I209 HydrophobicContact CG-CG2 4.48Å; M205-I209 HydrophobicContact SD-CG2 4Å; M205-M213 HydrophobicContact CE-SD 4.24Å; M205-M213 HydrophobicContact SD-SD 3.8Å
206S65.4Low71.7Confident47 Ų4761.5 Ų61.533%0.32932%0.315SS..  trans-62.4154.9-179.380.70000112.7G208 I209 K210 L230S206-G208 PolarHBondContact O-N 2.87Å; S206-I209 PolarHBondContact O-N 3.26Å; S206-I209 VanDerWaalsContact O-N 3.16Å; S206-I209 WeakPolarHBondContact OG-CG1 3.23Å; S206-I209 PolarHBondContact OG-N 2.95Å; S206-K210 VanDerWaalsContact O-CB 3.29Å; S206-K210 WeakPolarHBondContact O-CB 3.39Å; S206-K210 PolarHBondContact O-N 3.25Å; S206-L230 WeakPolarHBondContact OG-CD2 3.46Å
207R63Low70.4Confident112 Ų11266.3 Ų66.342%0.42334%0.337SS..THydrogen-bonded Turntrans-60.3-28.1-179-62-179.1-176.41705.2112.8K211 L236 E242R207-K211 PolarHBondContact O-N 2.86Å; R207-L236 HydrophobicContact CB-CD1 4.48Å; R207-E242 IonicContact CZ-OE2 3.47Å; R207-E242 VanDerWaalsContact CZ-OE2 3.22Å; R207-E242 IonicContact NE-OE1 2.78Å; R207-E242 IonicContact NE-OE2 2.71Å; R207-E242 PolarHBondContact NE-OE2 2.88Å; R207-E242 IonicContact NH2-OE2 3.16Å; R207-E242 PolarHBondContact NH2-OE2 3.38Å
208G62.6Low69.3Low9 Ų968.4 Ų68.49%0.09335%0.351CS..THydrogen-bonded Turntrans-66.8-54.7171.500000112.6S206 K210 K211 L212S206-G208 PolarHBondContact O-N 2.87Å; G208-K210 VanDerWaalsContact C-N 3.3Å; G208-K210 PolarHBondContact O-N 3.36Å; G208-K211 WeakPolarHBondContact O-CA 3.16Å; G208-K211 WeakPolarHBondContact O-CB 3.42Å; G208-K211 PolarHBondContact O-N 3.44Å; G208-L212 PolarHBondContact O-N 2.85Å
209I68.8Low68.4Low64 Ų6473.4 Ų73.433%0.32838%0.377SS..Hα-helixtrans-57.4-44.5177.8-62.8166.9000110.6M205 S206 K211 L212 M213 L230M205-I209 HydrophobicContact CB-CG2 4.49Å; M205-I209 HydrophobicContact CG-CG2 4.48Å; M205-I209 HydrophobicContact SD-CG2 4Å; S206-I209 PolarHBondContact O-N 3.26Å; S206-I209 VanDerWaalsContact O-N 3.16Å; S206-I209 WeakPolarHBondContact OG-CG1 3.23Å; S206-I209 PolarHBondContact OG-N 2.95Å; I209-K211 PolarHBondContact O-N 3.15Å; I209-L212 PolarHBondContact O-N 3.28Å; I209-M213 HydrophobicContact CG2-CG 4.35Å; I209-M213 HydrophobicContact CG2-SD 4.22Å; I209-M213 WeakPolarHBondContact O-CG 3.44Å; I209-M213 PolarHBondContact O-N 3.21Å; I209-L230 HydrophobicContact CD1-CD2 4.07Å; I209-L230 HydrophobicContact CG1-CD2 3.67Å
210K66.6Low67.7Low55 Ų5573.4 Ų73.424%0.23938%0.379CS..Hα-helixtrans-60.7-16.1177.1-162.6171.6-171.7167.80113.7S206 G208 Q214 E242S206-K210 VanDerWaalsContact O-CB 3.29Å; S206-K210 WeakPolarHBondContact O-CB 3.39Å; S206-K210 PolarHBondContact O-N 3.25Å; G208-K210 VanDerWaalsContact C-N 3.3Å; G208-K210 PolarHBondContact O-N 3.36Å; K210-Q214 PolarHBondContact O-NE2 3.47Å; K210-E242 IonicContact NZ-OE1 3.97Å; K210-E242 PolarHBondContact NZ-OE1 3.45Å
211K64.6Low67.2Low83 Ų8377.7 Ų77.736%0.36141%0.41SS..Hα-helixtrans-98.9-38.6169.3-74.8-174.1172.6-169.90113R207 G208 I209 M213 Q214 L236R207-K211 PolarHBondContact O-N 2.86Å; G208-K211 WeakPolarHBondContact O-CA 3.16Å; G208-K211 WeakPolarHBondContact O-CB 3.42Å; G208-K211 PolarHBondContact O-N 3.44Å; I209-K211 PolarHBondContact O-N 3.15Å; K211-M213 PolarHBondContact O-N 3.17Å; K211-Q214 VanDerWaalsContact O-CB 3.29Å; K211-Q214 WeakPolarHBondContact O-CB 3.32Å; K211-Q214 PolarHBondContact O-N 3.39Å; K211-L236 HydrophobicContact CD-CD1 4.2Å
212L66.6Low66.8Low70 Ų7086 Ų8637%0.36645%0.446SS..Hα-helixtrans-58.4-32.1174.6-168.469.6000112.4G208 I209 Q214 F217 L229G208-L212 PolarHBondContact O-N 2.85Å; I209-L212 PolarHBondContact O-N 3.28Å; L212-Q214 PolarHBondContact O-N 3.4Å; L212-F217 HydrophobicContact CD1-CD1 4Å; L212-F217 HydrophobicContact CD1-CE1 4.13Å; L212-F217 VanDerWaalsContact O-CE1 3.25Å; L212-F217 WeakPolarHBondContact O-CE1 3.39Å; L212-L229 HydrophobicContact CD1-CD2 4.22Å
213M65.3Low66.4Low70 Ų7088.3 Ų88.335%0.34546%0.455SS..THydrogen-bonded Turntrans-74.5-5174.5-63.9-177.594.300114.6M205 I209 K211 R259M205-M213 HydrophobicContact CE-SD 4.24Å; M205-M213 HydrophobicContact SD-SD 3.8Å; I209-M213 HydrophobicContact CG2-CG 4.35Å; I209-M213 HydrophobicContact CG2-SD 4.22Å; I209-M213 WeakPolarHBondContact O-CG 3.44Å; I209-M213 PolarHBondContact O-N 3.21Å; K211-M213 PolarHBondContact O-N 3.17Å; M213-R259 HydrophobicContact CB-CB 4.49Å; M213-R259 HydrophobicContact CE-CB 4.4Å; M213-R259 WeakPolarHBondContact O-CD 3.44Å; M213-R259 PolarHBondContact O-NH1 3.24Å
214Q68.3Low66.3Low100 Ų10096 Ų9647%0.46749%0.488SS..SBendtrans-86.6151.5179.7-56.6-178.42800111K210 K211 L212 K216K210-Q214 PolarHBondContact O-NE2 3.47Å; K211-Q214 VanDerWaalsContact O-CB 3.29Å; K211-Q214 WeakPolarHBondContact O-CB 3.32Å; K211-Q214 PolarHBondContact O-N 3.39Å; L212-Q214 PolarHBondContact O-N 3.4Å; Q214-K216 PolarHBondContact O-N 3.22Å; Q214-K216 VanDerWaalsContact O-N 3.16Å
215E60.4Low66.6Low157 Ų15796.3 Ų96.373%0.73447%0.471SS*.SBendtrans-64.4-21.2-179-59.2-177.4149.100113.4F217 R259E215-F217 PolarHBondContact O-N 3.02Å; E215-R259 VanDerWaalsContact CG-NH2 3.27Å; E215-R259 IonicContact OE1-CZ 3.19Å; E215-R259 IonicContact OE1-NH2 3.71Å; E215-R259 PolarHBondContact OE1-NH2 3.07Å
216K62.2Low66.7Low187 Ų18799.9 Ų99.981%0.81349%0.49SS*.SBendtrans-97.382.9171.8-63.9-170.6176.6-169.80108.6Q214Q214-K216 PolarHBondContact O-N 3.22Å; Q214-K216 VanDerWaalsContact O-N 3.16Å
217F63Low66.8Low137 Ų137101.5 Ų101.560%0.60150%0.498SS*.  trans-51.9130.8166.6-69.9-82.2000109.6L212 E215L212-F217 HydrophobicContact CD1-CD1 4Å; L212-F217 HydrophobicContact CD1-CE1 4.13Å; L212-F217 VanDerWaalsContact O-CE1 3.25Å; L212-F217 WeakPolarHBondContact O-CE1 3.39Å; E215-F217 PolarHBondContact O-N 3.02Å
218P66.9Low67.1Low47 Ų4798.1 Ų98.131%0.30549%0.487SS..  trans-59.5153.3167.9-21.833.9000110.9M220P218-M220 PolarHBondContact O-N 2.96Å
219N67.9Low67.3Low133 Ų13398.6 Ų98.671%0.71149%0.487SS*.  trans-65.6104174.8-69.912000109.6S221N219-S221 PolarHBondContact O-N 3.33Å
220M68.2Low67.1Low78 Ų7899.1 Ų99.138%0.38449%0.49SS..  trans-68.7-16.8-177.5-67.4-60-61.600113.7P218 K222 F223 L229P218-M220 PolarHBondContact O-N 2.96Å; M220-K222 PolarHBondContact O-N 3.21Å; M220-F223 PolarHBondContact O-N 3.37Å; M220-F223 VanDerWaalsContact O-N 3.08Å; M220-L229 HydrophobicContact CE-CD2 3.99Å; M220-L229 HydrophobicContact SD-CD1 4.42Å; M220-L229 HydrophobicContact SD-CD2 3.93Å
221S70.8Confident67.1Low109 Ų109102.2 Ų102.276%0.76251%0.513SS*.THydrogen-bonded Turntrans-69.325.4-177.672.40000115.5N219N219-S221 PolarHBondContact O-N 3.33Å
222K69.4Low66.8Low179 Ų179103.7 Ų103.778%0.77852%0.52SS*.THydrogen-bonded Turntrans-138.24.6177.1-68.5-163.3173.6-162.80112.5M220M220-K222 PolarHBondContact O-N 3.21Å
223F68.6Low66.1Low60 Ų60101.8 Ų101.826%0.26352%0.517SS..  trans-123.1129.1174.9-58-78.4000107.2M220 D225 E228 L229 K232M220-F223 PolarHBondContact O-N 3.37Å; M220-F223 VanDerWaalsContact O-N 3.08Å; F223-D225 VanDerWaalsContact C-N 3.34Å; F223-E228 WeakPolarHBondContact CA-OE2 3.46Å; F223-E228 HydrophobicContact CD1-CB 4.48Å; F223-E228 HydrophobicContact CD1-CG 4.13Å; F223-L229 HydrophobicContact CD2-CD1 4.09Å; F223-L229 HydrophobicContact CE1-CD1 4.5Å; F223-L229 HydrophobicContact CE2-CD1 3.85Å; F223-L229 HydrophobicContact CZ-CD1 4.06Å; F223-K232 HydrophobicContact CE1-CB 4.48Å
224E71.9Confident65.2Low197 Ų197102.3 Ų102.392%0.92153%0.532SS*.SBendtrans-81.1-23.8178.2-67.5177.3175.400110.7E228E224-E228 PolarHBondContact N-OE2 3.18Å
225D71.4Confident64.1Low89 Ų89105 Ų10548%0.47655%0.55SS..  trans-141.9154-173.2-159.25.3000113.8F223 T227 E228 L229F223-D225 VanDerWaalsContact C-N 3.34Å; D225-T227 VanDerWaalsContact C-N 3.27Å; D225-T227 PolarHBondContact O-N 3.24Å; D225-T227 WeakPolarHBondContact OD2-CB 3.16Å; D225-T227 PolarHBondContact OD2-OG1 3.42Å; D225-E228 HydrophobicContact CB-CB 4.24Å; D225-E228 VanDerWaalsContact O-CB 3.31Å; D225-E228 WeakPolarHBondContact O-CB 3.34Å; D225-E228 PolarHBondContact O-N 2.95Å; D225-E228 VanDerWaalsContact O-N 3.12Å; D225-L229 PolarHBondContact O-N 2.96Å
226I68.4Low63.5Low115 Ų115100 Ų10059%0.5953%0.528SS*.Hα-helixtrans-66.8-36.4174.7-58.5176.6000109.7E228 L229 L230I226-E228 PolarHBondContact O-N 3.48Å; I226-L229 PolarHBondContact O-N 3.35Å; I226-L229 VanDerWaalsContact O-N 3.15Å; I226-L230 HydrophobicContact CG2-CD1 4.39Å; I226-L230 WeakPolarHBondContact O-CG 3.22Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-L230 VanDerWaalsContact O-N 3.12Å
227T67.4Low62.4Low80 Ų8095.9 Ų95.949%0.49152%0.523SS..Hα-helixtrans-54.7-40.4171.1-30.80000111D225 L230 V231D225-T227 VanDerWaalsContact C-N 3.27Å; D225-T227 PolarHBondContact O-N 3.24Å; D225-T227 WeakPolarHBondContact OD2-CB 3.16Å; D225-T227 PolarHBondContact OD2-OG1 3.42Å; T227-L230 PolarHBondContact O-N 3.43Å; T227-V231 WeakPolarHBondContact O-CG2 3.26Å; T227-V231 PolarHBondContact O-N 3.29Å
228E69.6Low61.6Low42 Ų4297.7 Ų97.720%0.19653%0.533CS..Hα-helixtrans-68.7-39.7177.4-162-174.7-161.800112.1F223 E224 D225 I226 L230 V231 K232F223-E228 WeakPolarHBondContact CA-OE2 3.46Å; F223-E228 HydrophobicContact CD1-CB 4.48Å; F223-E228 HydrophobicContact CD1-CG 4.13Å; E224-E228 PolarHBondContact N-OE2 3.18Å; D225-E228 HydrophobicContact CB-CB 4.24Å; D225-E228 VanDerWaalsContact O-CB 3.31Å; D225-E228 WeakPolarHBondContact O-CB 3.34Å; D225-E228 PolarHBondContact O-N 2.95Å; D225-E228 VanDerWaalsContact O-N 3.12Å; I226-E228 PolarHBondContact O-N 3.48Å; E228-L230 PolarHBondContact O-N 2.94Å; E228-V231 PolarHBondContact O-N 3.31Å; E228-K232 HydrophobicContact CG-CB 3.88Å; E228-K232 HydrophobicContact CG-CD 3.58Å; E228-K232 HydrophobicContact CG-CG 4.41Å; E228-K232 VanDerWaalsContact O-CA 3.31Å; E228-K232 WeakPolarHBondContact O-CA 3.48Å; E228-K232 WeakPolarHBondContact O-CB 3.07Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 WeakPolarHBondContact OE1-CD 3.32Å; E228-K232 WeakPolarHBondContact OE1-CE 3.48Å; E228-K232 IonicContact OE1-NZ 2.62Å; E228-K232 PolarHBondContact OE1-NZ 3.21Å
229L67.7Low60.3Low18 Ų18100.7 Ų100.79%0.09456%0.555CS.*Hα-helixtrans-61.5-32.8173.1-178.369.9000112.5L212 M220 F223 D225 I226L212-L229 HydrophobicContact CD1-CD2 4.22Å; M220-L229 HydrophobicContact CE-CD2 3.99Å; M220-L229 HydrophobicContact SD-CD1 4.42Å; M220-L229 HydrophobicContact SD-CD2 3.93Å; F223-L229 HydrophobicContact CD2-CD1 4.09Å; F223-L229 HydrophobicContact CE1-CD1 4.5Å; F223-L229 HydrophobicContact CE2-CD1 3.85Å; F223-L229 HydrophobicContact CZ-CD1 4.06Å; D225-L229 PolarHBondContact O-N 2.96Å; I226-L229 PolarHBondContact O-N 3.35Å; I226-L229 VanDerWaalsContact O-N 3.15Å
230L65Low59.3Low76 Ų7699 Ų9940%0.39854%0.543SS..Hα-helixtrans-77.1-44.3179.9-67.1169.4000112.4S206 I209 I226 T227 E228S206-L230 WeakPolarHBondContact OG-CD2 3.46Å; I209-L230 HydrophobicContact CD1-CD2 4.07Å; I209-L230 HydrophobicContact CG1-CD2 3.67Å; I226-L230 HydrophobicContact CG2-CD1 4.39Å; I226-L230 WeakPolarHBondContact O-CG 3.22Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-L230 VanDerWaalsContact O-N 3.12Å; T227-L230 PolarHBondContact O-N 3.43Å; E228-L230 PolarHBondContact O-N 2.94Å
231V66.1Low58.1Low119 Ų11998.6 Ų98.672%0.72155%0.552SS**Hα-helixtrans-83.1-47.2-177.7175.70000111.8T227 E228 G233T227-V231 WeakPolarHBondContact O-CG2 3.26Å; T227-V231 PolarHBondContact O-N 3.29Å; E228-V231 PolarHBondContact O-N 3.31Å; V231-G233 PolarHBondContact O-N 2.71Å
232K57.3Low57.1Low115 Ų11597.6 Ų97.650%0.554%0.535SS..  trans-81.725.1-175.6-142.3172.1-167.8177.80113F223 E228 A234F223-K232 HydrophobicContact CE1-CB 4.48Å; E228-K232 HydrophobicContact CG-CB 3.88Å; E228-K232 HydrophobicContact CG-CD 3.58Å; E228-K232 HydrophobicContact CG-CG 4.41Å; E228-K232 VanDerWaalsContact O-CA 3.31Å; E228-K232 WeakPolarHBondContact O-CA 3.48Å; E228-K232 WeakPolarHBondContact O-CB 3.07Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 WeakPolarHBondContact OE1-CD 3.32Å; E228-K232 WeakPolarHBondContact OE1-CE 3.48Å; E228-K232 IonicContact OE1-NZ 2.62Å; E228-K232 PolarHBondContact OE1-NZ 3.21Å; K232-A234 PolarHBondContact O-N 3.07Å
233G51.2Low56Low29 Ų2997.4 Ų97.430%0.29954%0.537SS..G310 helixtrans-6515.3162.500000114.4V231 L236V231-G233 PolarHBondContact O-N 2.71Å; G233-L236 WeakPolarHBondContact O-CB 3.49Å; G233-L236 WeakPolarHBondContact O-CG 3.24Å
234A48.3Very low55.4Low81 Ų8196 Ų9667%0.66953%0.532SS*.G310 helixtrans-72-28-177.100000113.9K232 L236K232-A234 PolarHBondContact O-N 3.07Å; A234-L236 PolarHBondContact O-N 2.83Å
235N45.1Very low54.6Low157 Ų15788.6 Ų88.684%0.8451%0.509SS*.G310 helixtrans-73.924.5176.7-71.117.1000113.1
236L47.8Very low53.9Low52 Ų5292.2 Ų92.227%0.27252%0.523SS..SBendtrans-11186.2-177.8-59.3-168.6000110.3R207 K211 G233 A234 E238R207-L236 HydrophobicContact CB-CD1 4.48Å; K211-L236 HydrophobicContact CD-CD1 4.2Å; G233-L236 WeakPolarHBondContact O-CB 3.49Å; G233-L236 WeakPolarHBondContact O-CG 3.24Å; A234-L236 PolarHBondContact O-N 2.83Å; L236-E238 PolarHBondContact O-N 3.15Å
237S39.1Very low53.5Low101 Ų10195.9 Ų95.971%0.70654%0.537SS*.  trans-22.6118.5171.41790000113.6S239S237-S239 PolarHBondContact O-N 2.89Å
238E44.4Very low53.4Low175 Ų17595.7 Ų95.782%0.81853%0.533SS*.SBendtrans-68.36.4-166.1-56.6178.4117.400114.8L236 E240 A241L236-E238 PolarHBondContact O-N 3.15Å; E238-E240 PolarHBondContact O-N 3.35Å; E238-A241 PolarHBondContact O-N 3.13Å
239S40.9Very low53.5Low110 Ų11096.3 Ų96.377%0.76954%0.537SS*.  trans-71.38.4-175.7-60.70000115.6S237S237-S239 PolarHBondContact O-N 2.89Å
240E46.3Very low53.5Low98 Ų9898.6 Ų98.646%0.45855%0.552SS.*SBendtrans-126.470.5161.2-80.7-170.2-144.900109.2K126 E238 E242 R270K126-E240 IonicContact NZ-OE1 3.8Å; K126-E240 PolarHBondContact NZ-OE1 2.93Å; E238-E240 PolarHBondContact O-N 3.35Å; E240-E242 PolarHBondContact O-N 3.47Å; E240-R270 IonicContact OE2-NH1 2.59Å
241A43.5Very low53.8Low69 Ų69101 Ų10157%0.5756%0.561SS**  trans-54136166.600000110.3E238 Q243E238-A241 PolarHBondContact O-N 3.13Å; A241-Q243 PolarHBondContact O-N 3.47Å
242E50.6Low54.1Low88 Ų8895.8 Ų95.841%0.41153%0.529SS..  trans-83.765.1-179.7-77.8167.7142.700110.3R207 K210 E240 D244R207-E242 IonicContact CZ-OE2 3.47Å; R207-E242 VanDerWaalsContact CZ-OE2 3.22Å; R207-E242 IonicContact NE-OE1 2.78Å; R207-E242 IonicContact NE-OE2 2.71Å; R207-E242 PolarHBondContact NE-OE2 2.88Å; R207-E242 IonicContact NH2-OE2 3.16Å; R207-E242 PolarHBondContact NH2-OE2 3.38Å; K210-E242 IonicContact NZ-OE1 3.97Å; K210-E242 PolarHBondContact NZ-OE1 3.45Å; E240-E242 PolarHBondContact O-N 3.47Å; E242-D244 PolarHBondContact O-N 2.88Å
243Q45.9Very low54.5Low175 Ų17595.3 Ų95.382%0.81854%0.538SS*.  trans-69.931.3165.3-71-173-2500112.6A241 G245A241-Q243 PolarHBondContact O-N 3.47Å; Q243-G245 PolarHBondContact O-N 3.29Å
244D54.6Low55.3Low30 Ų3097 Ų9716%0.1654%0.538CS..  trans-78.964.6165-67.9-30.8000107.8E242 A268 R270E242-D244 PolarHBondContact O-N 2.88Å; D244-A268 HydrophobicContact CB-CB 3.91Å; D244-R270 IonicContact OD1-CZ 3.72Å; D244-R270 IonicContact OD1-NE 2.74Å; D244-R270 PolarHBondContact OD1-NE 3.16Å; D244-R270 IonicContact OD1-NH2 3.99Å; D244-R270 IonicContact OD2-CZ 3.81Å; D244-R270 IonicContact OD2-NE 3.77Å; D244-R270 PolarHBondContact OD2-NE 3.18Å; D244-R270 IonicContact OD2-NH2 2.7Å; D244-R270 PolarHBondContact OD2-NH2 2.99Å
245G55.5Low55.9Low41 Ų4198.7 Ų98.742%0.42353%0.533SS..  trans-59.8159176.200000111.8Q243 H247 N248Q243-G245 PolarHBondContact O-N 3.29Å; G245-H247 PolarHBondContact O-N 2.95Å; G245-N248 WeakPolarHBondContact O-CB 3.46Å; G245-N248 PolarHBondContact O-N 2.87Å
246E56.5Low57Low165 Ų16592.7 Ų92.777%0.77150%0.499SS*.G310 helixtrans-49.6-39-165.6-62.7178177.300114.3N248 I249E246-N248 PolarHBondContact O-N 3.33Å; E246-I249 WeakPolarHBondContact O-CB 3.29Å; E246-I249 PolarHBondContact O-N 3.18Å
247H60.3Low57.5Low192 Ų19294.5 Ų94.589%0.88952%0.516SS*.G310 helixtrans-58.1-18.4176.5-50.1-49.2000115.3G245G245-H247 PolarHBondContact O-N 2.95Å
248N65.8Low58.4Low76 Ų7691.4 Ų91.441%0.40650%0.5SS..G310 helixtrans-92.6-11.1176.6-71.2-36.3000113.4G245 E246 A268 V269G245-N248 WeakPolarHBondContact O-CB 3.46Å; G245-N248 PolarHBondContact O-N 2.87Å; E246-N248 PolarHBondContact O-N 3.33Å; N248-A268 VanDerWaalsContact O-CA 3.32Å; N248-A268 WeakPolarHBondContact O-CA 3.35Å; N248-V269 PolarHBondContact O-N 2.8Å
249I71.6Confident59.1Low55 Ų5589.8 Ų89.828%0.28249%0.486SS..EExtended strand (participates in β ladder)trans-87128.7-175-53.3179.1000109.5V203 E246 Q266V203-I249 HydrophobicContact CG1-CD1 4.41Å; E246-I249 WeakPolarHBondContact O-CB 3.29Å; E246-I249 PolarHBondContact O-N 3.18Å; I249-Q266 HydrophobicContact CG2-CB 3.96Å; I249-Q266 HydrophobicContact CG2-CG 4.3Å
250T68.7Low60Low66 Ų6685.2 Ų85.241%0.40546%0.457SS..EExtended strand (participates in β ladder)trans-141.2144.6-178.854.70000111.1S267T250-S267 PolarHBondContact N-O 3.02Å; T250-S267 PolarHBondContact O-N 3.29Å; T250-S267 VanDerWaalsContact O-O 3.06Å; T250-S267 PolarHBondContact OG1-O 3.36Å; T250-S267 VanDerWaalsContact OG1-O 3.06Å
251E70.6Confident60.7Low127 Ų12780.8 Ų80.859%0.59344%0.436SS*.EExtended strand (participates in β ladder)trans-80.1137.8171.1-64.7-175.6174.800110.8P253 Q266E251-P253 VanDerWaalsContact O-CD 3.27Å; E251-P253 WeakPolarHBondContact O-CD 3.27Å; E251-Q266 HydrophobicContact CG-CG 4.04Å
252L71.3Confident61.7Low9 Ų982.3 Ų82.35%0.04743%0.433CS..  trans-88.2112.9-178.7-64.2-178.1000111.7V200 Q254 N261 P263 S264 Q265 S267V200-L252 HydrophobicContact CG1-CD1 3.88Å; V200-L252 HydrophobicContact CG1-CD2 3.83Å; V200-L252 HydrophobicContact CG1-CG 4.39Å; L252-Q254 PolarHBondContact O-N 3.13Å; L252-N261 HydrophobicContact CD1-CB 3.88Å; L252-P263 CarbonylContact O-C 3.58Å; L252-P263 WeakPolarHBondContact O-CA 3.22Å; L252-S264 PolarHBondContact O-N 2.92Å; L252-Q265 PolarHBondContact N-O 3.24Å; L252-S267 WeakPolarHBondContact CD1-OG 3.15Å
253P65.5Low62.2Low106 Ų10681 Ų8169%0.68843%0.432SS*.SBendtrans-75.2-6.4176.831.6-37000113.5L173 E251L173-P253 HydrophobicContact CD1-CG 4.2Å; E251-P253 VanDerWaalsContact O-CD 3.27Å; E251-P253 WeakPolarHBondContact O-CD 3.27Å
254Q68.8Low63.2Low63 Ų6377.4 Ų77.429%0.29443%0.426SS..SBendtrans-145.5150.9177.3-61.1175.86.800110.3V171 L173 L252 Y256V171-Q254 PolarHBondContact O-NE2 3.4Å; V171-Q254 PolarHBondContact O-OE1 2.98Å; L173-Q254 HydrophobicContact CD1-CB 3.99Å; L173-Q254 HydrophobicContact CG-CB 4.11Å; L173-Q254 HydrophobicContact CG-CG 4.39Å; L252-Q254 PolarHBondContact O-N 3.13Å; Q254-Y256 PolarHBondContact O-N 3.07Å
255M61.1Low64.1Low117 Ų11778.4 Ų78.458%0.57643%0.43SS*.  trans-58.3118.6171.3-71.617979.600111.5N174 M262 P263N174-M255 PolarHBondContact ND2-O 2.98Å; M255-M262 HydrophobicContact CE-SD 4.21Å; M255-P263 HydrophobicContact CG-CG 4.27Å
256Y68.2Low65.1Low32 Ų3281.1 Ų81.113%0.12543%0.431CS..  trans-95.7152.6175.4-168.5-90.4000111.1L173 N174 I176 V200 Q254 G258L173-Y256 HydrophobicContact CB-CD2 4.02Å; L173-Y256 WeakPolarHBondContact O-CE2 3.15Å; N174-Y256 WeakPolarHBondContact OD1-CA 3.48Å; I176-Y256 PolarHBondContact O-OH 3.31Å; I176-Y256 VanDerWaalsContact O-OH 3.12Å; V200-Y256 HydrophobicContact CB-CD1 3.73Å; V200-Y256 HydrophobicContact CB-CE1 3.93Å; V200-Y256 HydrophobicContact CB-CG 4.11Å; V200-Y256 HydrophobicContact CG2-CD1 3.83Å; V200-Y256 HydrophobicContact CG2-CD2 3.89Å; V200-Y256 HydrophobicContact CG2-CE1 3.81Å; V200-Y256 HydrophobicContact CG2-CE2 3.87Å; V200-Y256 HydrophobicContact CG2-CG 3.87Å; Q254-Y256 PolarHBondContact O-N 3.07Å; Y256-G258 PolarHBondContact O-N 3.12Å
257S58.6Low66.2Low89 Ų8973.2 Ų73.262%0.62240%0.395SS*.SBendtrans-72.173.3-179-65.60000112.2N174N174-S257 WeakPolarHBondContact OD1-CB 3.43Å; N174-S257 PolarHBondContact OD1-N 3.16Å; N174-S257 PolarHBondContact OD1-OG 3.47Å
258G58.7Low67.2Low36 Ų3664.1 Ų64.137%0.37135%0.352SS..SBendtrans-157.5145.217600000110.1Y256 G260 N261Y256-G258 PolarHBondContact O-N 3.12Å; G258-G260 PolarHBondContact O-N 2.96Å; G258-N261 PolarHBondContact O-N 2.94Å
259R57.9Low68.1Low141 Ų14162.7 Ų62.753%0.53235%0.346SS..THydrogen-bonded Turntrans-71.7121.8177.3-69.2-174.6-179171.15.6109.5M213 E215M213-R259 HydrophobicContact CB-CB 4.49Å; M213-R259 HydrophobicContact CE-CB 4.4Å; M213-R259 WeakPolarHBondContact O-CD 3.44Å; M213-R259 PolarHBondContact O-NH1 3.24Å; E215-R259 VanDerWaalsContact CG-NH2 3.27Å; E215-R259 IonicContact OE1-CZ 3.19Å; E215-R259 IonicContact OE1-NH2 3.71Å; E215-R259 PolarHBondContact OE1-NH2 3.07Å
260G59.9Low68.7Low14 Ų1462.5 Ų62.514%0.14434%0.342CS..THydrogen-bonded Turntrans86.814.9-174.300000115.1P202 G258 M262 Q265P202-G260 WeakPolarHBondContact CB-O 3.42Å; G258-G260 PolarHBondContact O-N 2.96Å; G260-M262 PolarHBondContact O-N 3.48Å; G260-Q265 PolarHBondContact O-OE1 2.73Å
261N61.3Low69.6Low6 Ų663.6 Ų63.63%0.03235%0.345CS..  trans-98.366.8174.6-62.539.5000110.4V200 P202 L252 G258V200-N261 VanDerWaalsContact CG1-ND2 3.26Å; V200-N261 WeakPolarHBondContact CG1-ND2 3.26Å; V200-N261 PolarHBondContact O-ND2 3.42Å; P202-N261 WeakPolarHBondContact CD-OD1 3.46Å; L252-N261 HydrophobicContact CD1-CB 3.88Å; G258-N261 PolarHBondContact O-N 2.94Å
262M64.1Low70.4Confident101 Ų10159.5 Ų59.550%0.49833%0.328SS..  trans-72.8158.4177.6-68-59.4-76.300111.5M255 G260 Q265M255-M262 HydrophobicContact CE-SD 4.21Å; G260-M262 PolarHBondContact O-N 3.48Å; M262-Q265 HydrophobicContact CB-CB 4.3Å; M262-Q265 PolarHBondContact O-N 3.16Å
263P60.9Low71.3Confident61 Ų6160.1 Ų60.140%0.39633%0.331SS..THydrogen-bonded Turntrans-67.8150.8173.232.7-33000109.6L252 M255 Q265L252-P263 CarbonylContact O-C 3.58Å; L252-P263 WeakPolarHBondContact O-CA 3.22Å; M255-P263 HydrophobicContact CG-CG 4.27Å; P263-Q265 PolarHBondContact O-N 3.33Å; P263-Q265 VanDerWaalsContact O-N 3.1Å
264S67Low72.4Confident98 Ų9855.1 Ų55.169%0.68530%0.299SS*.THydrogen-bonded Turntrans59.112.3-174.7-55.70000115.3L252L252-S264 PolarHBondContact O-N 2.92Å
265Q73.8Confident73.4Confident51 Ų5152.2 Ų52.224%0.23829%0.285CS..  trans-93134.7172.5-172.2170.9-100111L252 G260 M262 P263 S267L252-Q265 PolarHBondContact N-O 3.24Å; G260-Q265 PolarHBondContact O-OE1 2.73Å; M262-Q265 HydrophobicContact CB-CB 4.3Å; M262-Q265 PolarHBondContact O-N 3.16Å; P263-Q265 PolarHBondContact O-N 3.33Å; P263-Q265 VanDerWaalsContact O-N 3.1Å; Q265-S267 PolarHBondContact O-N 2.85Å
266Q77.6Confident74.9Confident98 Ų9846.7 Ų46.746%0.45826%0.258SS..EExtended strand (participates in β ladder)trans-60.7131.4173-69.2-177.4-2.900111.6V203 I249 E251V203-Q266 HydrophobicContact CB-CB 4.46Å; V203-Q266 PolarHBondContact N-O 2.81Å; I249-Q266 HydrophobicContact CG2-CB 3.96Å; I249-Q266 HydrophobicContact CG2-CG 4.3Å; E251-Q266 HydrophobicContact CG-CG 4.04Å
267S78.4Confident76.1Confident0 Ų049.4 Ų49.40%027%0.269CS..EExtended strand (participates in β ladder)trans-145.2138.3-177.9-66.70000111.5V201 T250 L252 Q265V201-S267 CarbonylContact O-C 3.56Å; V201-S267 VanDerWaalsContact O-CA 3.31Å; V201-S267 WeakPolarHBondContact O-CA 3.1Å; T250-S267 PolarHBondContact N-O 3.02Å; T250-S267 PolarHBondContact O-N 3.29Å; T250-S267 VanDerWaalsContact O-O 3.06Å; T250-S267 PolarHBondContact OG1-O 3.36Å; T250-S267 VanDerWaalsContact OG1-O 3.06Å; L252-S267 WeakPolarHBondContact CD1-OG 3.15Å; Q265-S267 PolarHBondContact O-N 2.85Å
268A81.6Confident77.8Confident0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-89136.9174.700000111.2V201 V203 D244 N248V201-A268 PolarHBondContact N-O 2.92Å; V201-A268 PolarHBondContact O-N 2.87Å; V203-A268 HydrophobicContact CG2-CB 3.72Å; D244-A268 HydrophobicContact CB-CB 3.91Å; N248-A268 VanDerWaalsContact O-CA 3.32Å; N248-A268 WeakPolarHBondContact O-CA 3.35Å
269V83.7Confident79.5Confident46 Ų4644.6 Ų44.628%0.27923%0.228SC..EExtended strand (participates in β ladder)trans-95.695.7177-176.40000110.1L198 N248 L271L198-V269 HydrophobicContact CB-CG1 4.35Å; L198-V269 HydrophobicContact CD2-CG1 3.95Å; N248-V269 PolarHBondContact O-N 2.8Å; V269-L271 HydrophobicContact CG1-CD2 4.46Å
270R84.7Confident81.2Confident52 Ų5238 Ų3820%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-86.1129.4176.7-60.3-164-172.4173.74.8111.1K199 V201 E240 D244K199-R270 PolarHBondContact N-O 3.01Å; K199-R270 PolarHBondContact O-N 2.87Å; V201-R270 HydrophobicContact CG2-CB 4.48Å; V201-R270 HydrophobicContact CG2-CG 4.12Å; E240-R270 IonicContact OE2-NH1 2.59Å; D244-R270 IonicContact OD1-CZ 3.72Å; D244-R270 IonicContact OD1-NE 2.74Å; D244-R270 PolarHBondContact OD1-NE 3.16Å; D244-R270 IonicContact OD1-NH2 3.99Å; D244-R270 IonicContact OD2-CZ 3.81Å; D244-R270 IonicContact OD2-NE 3.77Å; D244-R270 PolarHBondContact OD2-NE 3.18Å; D244-R270 IonicContact OD2-NH2 2.7Å; D244-R270 PolarHBondContact OD2-NH2 2.99Å
271L87.4Confident82.8Confident88 Ų8839.8 Ų39.846%0.46121%0.207SC..EExtended strand (participates in β ladder)trans-95.2148.8176.8-61.3-177.7000111.8Y196 S197 L198 V269Y196-L271 HydrophobicContact CD1-CB 4.06Å; Y196-L271 HydrophobicContact CG-CB 4.33Å; Y196-L271 HydrophobicContact CG-CD1 4.38Å; S197-L271 WeakPolarHBondContact O-CA 3.4Å; L198-L271 HydrophobicContact CB-CD2 4.39Å; L198-L271 HydrophobicContact CD2-CD2 4.42Å; L198-L271 HydrophobicContact CG-CD2 3.91Å; V269-L271 HydrophobicContact CG1-CD2 4.46Å
272T88.6Confident84.2Confident41 Ų4139.9 Ų39.925%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-138.7131.3172.847.40000110.1Y196 S197Y196-T272 CarbonylContact C-O 3.55Å; Y196-T272 WeakPolarHBondContact CA-O 3.44Å; S197-T272 PolarHBondContact N-O 2.82Å; S197-T272 PolarHBondContact O-N 2.84Å; S197-T272 PolarHBondContact O-OG1 2.96Å
273E88.9Confident85.5Confident22 Ų2236.9 Ų36.910%0.10320%0.195CC..EExtended strand (participates in β ladder)trans-69.2136.9-178.9-72.6-175.6-177.500111.8V120 L124 R194 Y196 R277V120-E273 HydrophobicContact CG1-CB 3.89Å; V120-E273 WeakPolarHBondContact CG1-OE2 3.49Å; L124-E273 HydrophobicContact CD1-CB 4.11Å; L124-E273 WeakPolarHBondContact CD1-O 3.3Å; R194-E273 IonicContact NH1-OE1 2.65Å; Y196-E273 HydrophobicContact CD1-CB 4.37Å; Y196-E273 HydrophobicContact CD1-CG 3.5Å; Y196-E273 VanDerWaalsContact CD1-CG 3.5Å; Y196-E273 HydrophobicContact CE1-CG 3.3Å; E273-R277 IonicContact OE1-CZ 2.95Å; E273-R277 IonicContact OE1-NE 3.84Å; E273-R277 IonicContact OE1-NH2 2.92Å; E273-R277 PolarHBondContact OE1-NH2 2.94Å; E273-R277 IonicContact OE2-CZ 2.71Å; E273-R277 IonicContact OE2-NE 3.94Å; E273-R277 PolarHBondContact OE2-NE 3.15Å; E273-R277 IonicContact OE2-NH2 2.87Å; E273-R277 PolarHBondContact OE2-NH2 3.01Å
274I89.6Confident86.9Confident1 Ų136.5 Ų36.51%0.00519%0.188CC..  trans-132.9-30.4-179.3-74.5-157.3000112.6I117 M129 Q133 F134 H195I117-I274 WeakPolarHBondContact CD1-O 3.45Å; I117-I274 WeakPolarHBondContact CG1-O 3.47Å; M129-I274 HydrophobicContact CE-CG2 3.89Å; M129-I274 HydrophobicContact CG-CD1 4.22Å; M129-I274 HydrophobicContact CG-CG1 4.32Å; Q133-I274 VanDerWaalsContact OE1-CD1 3.25Å; F134-I274 HydrophobicContact CE1-CG2 4.01Å; F134-I274 HydrophobicContact CZ-CG2 3.55Å; H195-I274 PolarHBondContact O-N 2.71Å
275G88.7Confident88.1Confident2 Ų232 Ų322%0.02116%0.155CC..SBendtrans-96176.6-177.800000114.5H195H195-G275 WeakPolarHBondContact ND1-CA 3.2Å; H195-G275 PolarHBondContact ND1-N 3.08Å; H195-G275 VanDerWaalsContact ND1-N 3.15Å; H195-G275 PolarHBondContact O-N 2.78Å
276P92.9Very high88.8Confident1 Ų130.4 Ų30.41%0.00615%0.148CC..  trans-68.1147.217230.8-32.1000110L45 D48 S115 F193L45-P276 HydrophobicContact CD1-CB 3.71Å; L45-P276 HydrophobicContact CD1-CG 4Å; D48-P276 HydrophobicContact CB-CG 4.2Å; S115-P276 VanDerWaalsContact O-CA 3.26Å; S115-P276 WeakPolarHBondContact O-CA 3.41Å; S115-P276 WeakPolarHBondContact O-CB 3.22Å; F193-P276 HydrophobicContact CE1-CG 4.25Å
277R93.6Very high89.4Confident90 Ų9030.1 Ų30.134%0.3415%0.147SC..EExtended strand (participates in β ladder)trans-87.6136168.7-64.7176-179.3175.80.1108.4Y114 S115 V120 E273Y114-R277 CarbonylContact C-O 3.59Å; Y114-R277 WeakPolarHBondContact CA-O 3.33Å; S115-R277 PolarHBondContact N-O 2.84Å; S115-R277 PolarHBondContact O-N 2.95Å; V120-R277 HydrophobicContact CG2-CG 3.93Å; E273-R277 IonicContact OE1-CZ 2.95Å; E273-R277 IonicContact OE1-NE 3.84Å; E273-R277 IonicContact OE1-NH2 2.92Å; E273-R277 PolarHBondContact OE1-NH2 2.94Å; E273-R277 IonicContact OE2-CZ 2.71Å; E273-R277 IonicContact OE2-NE 3.94Å; E273-R277 PolarHBondContact OE2-NE 3.15Å; E273-R277 IonicContact OE2-NH2 2.87Å; E273-R277 PolarHBondContact OE2-NH2 3.01Å
278M94.3Very high89.7Confident8 Ų830.7 Ų30.74%0.03915%0.153CC..EExtended strand (participates in β ladder)trans-142.7142.8174.6-68.1179.969.500112.2L45 F87 M96 V111 K113 F193 L280L45-M278 HydrophobicContact CD1-CG 4.39Å; L45-M278 HydrophobicContact CD1-SD 3.99Å; L45-M278 HydrophobicContact CD2-CE 4.12Å; L45-M278 HydrophobicContact CD2-SD 4.17Å; L45-M278 HydrophobicContact CG-SD 4.41Å; F87-M278 HydrophobicContact CE1-CE 3.88Å; F87-M278 HydrophobicContact CE1-SD 4.43Å; M96-M278 HydrophobicContact SD-CE 4.5Å; V111-M278 HydrophobicContact CB-CE 4.29Å; V111-M278 HydrophobicContact CG1-CE 3.61Å; V111-M278 HydrophobicContact CG2-CE 3.62Å; K113-M278 WeakPolarHBondContact O-CA 3.36Å; F193-M278 HydrophobicContact CB-CB 4.22Å; F193-M278 HydrophobicContact CD1-CB 4.18Å; F193-M278 HydrophobicContact CD1-CG 4.41Å; F193-M278 PolarHBondContact N-O 3.24Å; F193-M278 PolarHBondContact O-N 2.78Å; F193-M278 VanDerWaalsContact O-N 3.08Å; M278-L280 HydrophobicContact CE-CD2 3.69Å
279T94.9Very high89.5Confident16 Ų1632.4 Ų32.410%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-108.8123.1165.3-60.20000108.4L112 K113 E190L112-T279 HydrophobicContact CB-CG2 4.08Å; L112-T279 HydrophobicContact CD1-CG2 4.16Å; L112-T279 PolarHBondContact N-O 2.91Å; K113-T279 PolarHBondContact O-N 3.43Å; E190-T279 HydrophobicContact CB-CG2 3.95Å; E190-T279 HydrophobicContact CG-CG2 3.83Å; E190-T279 WeakPolarHBondContact OE2-CG2 3.4Å
280L93.9Very high88.8Confident1 Ų131.3 Ų31.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-117140.5-178.1-59.3169.9000109.9M96 F109 K110 V111 I191 M278M96-L280 HydrophobicContact CB-CD2 4.49Å; M96-L280 HydrophobicContact CE-CD1 3.52Å; M96-L280 HydrophobicContact CE-CD2 3.99Å; M96-L280 HydrophobicContact CE-CG 4.41Å; M96-L280 HydrophobicContact SD-CD2 4.37Å; F109-L280 HydrophobicContact CB-CB 4.34Å; F109-L280 HydrophobicContact CB-CD2 4.19Å; F109-L280 HydrophobicContact CD1-CB 4.26Å; F109-L280 HydrophobicContact CG-CB 4.49Å; K110-L280 WeakPolarHBondContact O-CA 3.49Å; V111-L280 HydrophobicContact CB-CD2 4.46Å; V111-L280 HydrophobicContact CG2-CD2 3.83Å; I191-L280 HydrophobicContact CB-CB 4.24Å; I191-L280 PolarHBondContact N-O 3.5Å; I191-L280 PolarHBondContact O-N 2.84Å; M278-L280 HydrophobicContact CE-CD2 3.69Å
281Q92.6Very high88.3Confident52 Ų5235.7 Ų35.724%0.24319%0.187CC..EExtended strand (participates in β ladder)trans-120.3132.5170.9-172.8-179.240.800108.9F109 K110 L112 V283F109-Q281 CarbonylContact C-O 3.51Å; F109-Q281 VanDerWaalsContact CA-O 3.26Å; F109-Q281 WeakPolarHBondContact CA-O 3.46Å; K110-Q281 PolarHBondContact N-O 2.87Å; K110-Q281 PolarHBondContact O-N 2.76Å; L112-Q281 HydrophobicContact CD1-CB 3.95Å; L112-Q281 HydrophobicContact CG-CB 4.22Å; Q281-V283 PolarHBondContact O-N 2.83Å
282L91.4Very high87.9Confident8 Ų832.5 Ų32.54%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-72.5119.8177-177.263.7000109.8L107 F109 H151 I285 Y296 S298L107-L282 HydrophobicContact CB-CD1 4.49Å; F109-L282 HydrophobicContact CD1-CB 4.3Å; F109-L282 HydrophobicContact CD1-CD1 4.14Å; F109-L282 HydrophobicContact CE1-CB 4.2Å; F109-L282 HydrophobicContact CE1-CD1 3.79Å; F109-L282 HydrophobicContact CZ-CD1 4.28Å; H151-L282 HydrophobicContact CB-CD2 4.47Å; L282-I285 HydrophobicContact CD1-CG1 4.24Å; L282-I285 HydrophobicContact CD2-CD1 4.26Å; L282-I285 HydrophobicContact CD2-CG1 4.22Å; L282-Y296 HydrophobicContact CD2-CD1 3.88Å; L282-Y296 HydrophobicContact CD2-CE1 3.78Å; L282-Y296 HydrophobicContact CG-CD1 4.33Å; L282-Y296 HydrophobicContact CG-CE1 4.15Å; L282-S298 WeakPolarHBondContact O-CB 3.46Å; L282-S298 PolarHBondContact O-OG 2.98Å
283V90.8Very high87.7Confident39 Ų3933 Ų3324%0.23618%0.177CC..EExtended strand (participates in β ladder)trans-92.6-49.4176.3-178.70000110.3Y108 K110 Q281 H297 S298Y108-V283 PolarHBondContact O-N 3.42Å; K110-V283 HydrophobicContact CB-CG2 3.6Å; Q281-V283 PolarHBondContact O-N 2.83Å; V283-H297 CarbonylContact O-C 3.57Å; V283-H297 WeakPolarHBondContact O-CA 3.43Å; V283-S298 PolarHBondContact O-N 3.26Å; V283-S298 PolarHBondContact O-OG 2.7Å
284K91.1Very high87.6Confident53 Ų5336 Ų3623%0.2319%0.192CC..EExtended strand (participates in β ladder)trans-160.9157.5-179.861.7-177.7-178.5-175.90114Y108 I294 Y296 H297Y108-K284 HydrophobicContact CD2-CD 4.45Å; Y108-K284 HydrophobicContact CD2-CG 3.81Å; Y108-K284 HydrophobicContact CG-CD 4.48Å; Y108-K284 HydrophobicContact CG-CG 3.81Å; Y108-K284 PolarHBondContact N-O 2.81Å; Y108-K284 PolarHBondContact O-N 3.17Å; K284-I294 HydrophobicContact CB-CG2 4.45Å; K284-I294 HydrophobicContact CD-CD1 4.38Å; K284-Y296 CarbonylContact C-O 3.53Å; K284-Y296 WeakPolarHBondContact CA-O 3.39Å; K284-Y296 VanDerWaalsContact CB-O 3.22Å; K284-Y296 WeakPolarHBondContact CB-O 3.49Å; K284-H297 HydrophobicContact CB-CB 4.19Å
285I91.6Very high87.3Confident2 Ų240.9 Ų40.91%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-110.9126.7169-55.2-169.2000107.6P105 L107 H151 L154 L282 I294 L295 Y296P105-I285 HydrophobicContact CB-CG2 4.5Å; L107-I285 HydrophobicContact CD2-CB 4.2Å; L107-I285 HydrophobicContact CD2-CD1 3.67Å; L107-I285 HydrophobicContact CD2-CG1 3.55Å; L107-I285 HydrophobicContact CD2-CG2 3.95Å; H151-I285 HydrophobicContact CB-CD1 3.81Å; L154-I285 HydrophobicContact CD2-CD1 4.07Å; L154-I285 HydrophobicContact CD2-CG2 3.91Å; L282-I285 HydrophobicContact CD1-CG1 4.24Å; L282-I285 HydrophobicContact CD2-CD1 4.26Å; L282-I285 HydrophobicContact CD2-CG1 4.22Å; I285-I294 CarbonylContact O-C 3.6Å; I285-I294 WeakPolarHBondContact O-CA 3.24Å; I285-L295 HydrophobicContact CB-CB 4.34Å; I285-L295 HydrophobicContact CG2-CB 4.09Å; I285-L295 HydrophobicContact CG2-CD1 4.12Å; I285-L295 PolarHBondContact O-N 2.88Å; I285-Y296 HydrophobicContact CG1-CD1 4.26Å; I285-Y296 PolarHBondContact N-O 3.16Å; I285-Y296 PolarHBondContact O-N 2.89Å
286Q89.7Confident87.2Confident18 Ų1843.4 Ų43.48%0.08423%0.227CC..EExtended strand (participates in β ladder)trans-117.6144.9173.7-163.3-1772.300110.2P105 M106 Y108 G290 G292 N293 I294P105-Q286 CarbonylContact C-O 3.44Å; P105-Q286 VanDerWaalsContact CA-O 3.23Å; P105-Q286 WeakPolarHBondContact CA-O 3.39Å; P105-Q286 WeakPolarHBondContact CB-O 3.25Å; M106-Q286 PolarHBondContact N-O 2.93Å; M106-Q286 PolarHBondContact O-N 2.93Å; Y108-Q286 HydrophobicContact CD2-CB 4.46Å; Y108-Q286 HydrophobicContact CE2-CB 3.82Å; Y108-Q286 PolarHBondContact OH-OE1 2.98Å; Q286-G290 PolarHBondContact NE2-O 3.5Å; Q286-G290 PolarHBondContact OE1-O 2.74Å; Q286-G292 PolarHBondContact NE2-O 3.46Å; Q286-N293 CarbonylContact C-O 3.48Å; Q286-N293 VanDerWaalsContact CA-O 3.27Å; Q286-N293 WeakPolarHBondContact CA-O 3.34Å; Q286-N293 VanDerWaalsContact CG-O 3.29Å; Q286-N293 WeakPolarHBondContact CG-O 3.43Å; Q286-I294 HydrophobicContact CG-CG1 4.47Å
287E88.3Confident86.9Confident92 Ų9245.3 Ų45.343%0.4324%0.236SC..SBendtrans-75.8142.2170.6-165.8-172.8179.300111.3G292 N293E287-G292 WeakPolarHBondContact O-CA 3.31Å; E287-G292 PolarHBondContact O-N 3.43Å; E287-N293 PolarHBondContact N-O 3.49Å
288G84.6Confident86.4Confident13 Ų1343.3 Ų43.313%0.13424%0.236CC..THydrogen-bonded Turntrans64.5-171.2177.500000115.5G104 G290G104-G288 CarbonylContact O-C 3.45Å; G104-G288 VanDerWaalsContact O-C 3.31Å; G104-G288 WeakPolarHBondContact O-CA 3.28Å; G104-G288 PolarHBondContact O-N 3.08Å; G288-G290 PolarHBondContact O-N 3.02Å
289M78.4Confident85.4Confident35 Ų3550.8 Ų50.817%0.17227%0.272CS..THydrogen-bonded Turntrans-79.930.1-172.9-67.4-61.7-69.200114.9V73 F84 A99 L101 M106V73-M289 HydrophobicContact CG2-CE 3.91Å; F84-M289 HydrophobicContact CD2-CE 3.7Å; F84-M289 HydrophobicContact CE2-CE 3.92Å; A99-M289 HydrophobicContact CB-CE 4.17Å; A99-M289 HydrophobicContact CB-SD 3.85Å; L101-M289 HydrophobicContact CD1-CE 3.65Å; L101-M289 HydrophobicContact CD1-SD 3.95Å; L101-M289 HydrophobicContact CD2-CE 4.48Å; L101-M289 HydrophobicContact CG-CE 3.9Å; L101-M289 HydrophobicContact CG-SD 4.02Å; M106-M289 VanDerWaalsContact CE-C 3.49Å
290G68.3Low84.4Confident24 Ų2454.5 Ų54.525%0.24729%0.291CS..THydrogen-bonded Turntrans114.9-5.6170.900000116.6Q286 G288Q286-G290 PolarHBondContact NE2-O 3.5Å; Q286-G290 PolarHBondContact OE1-O 2.74Å; G288-G290 PolarHBondContact O-N 3.02Å
291D75.4Confident83Confident144 Ų14460.2 Ų60.277%0.7733%0.331SS*.THydrogen-bonded Turntrans-106.9-15.6179.8-63.6-49.4000113.7K314D291-K314 PolarHBondContact O-NZ 3.02Å
292G78Confident82.2Confident21 Ų2162.4 Ų62.422%0.21634%0.339CS..SBendtrans-74.6-166-178.400000114.4Q286 E287 K314Q286-G292 PolarHBondContact NE2-O 3.46Å; E287-G292 WeakPolarHBondContact O-CA 3.31Å; E287-G292 PolarHBondContact O-N 3.43Å; G292-K314 PolarHBondContact O-NZ 3.4Å; G292-K314 VanDerWaalsContact O-NZ 3.09Å
293N83.8Confident81.2Confident52 Ų5265.8 Ų65.828%0.27836%0.361SS..  trans-86.1160.4-170.6-59.5-30.9000112.1Q286 E287 L311 K314Q286-N293 CarbonylContact C-O 3.48Å; Q286-N293 VanDerWaalsContact CA-O 3.27Å; Q286-N293 WeakPolarHBondContact CA-O 3.34Å; Q286-N293 VanDerWaalsContact CG-O 3.29Å; Q286-N293 WeakPolarHBondContact CG-O 3.43Å; E287-N293 PolarHBondContact N-O 3.49Å; N293-L311 WeakPolarHBondContact OD1-CD2 3.28Å; N293-K314 PolarHBondContact OD1-NZ 3.27Å; N293-K314 VanDerWaalsContact OD1-NZ 3.15Å
294I87.6Confident80.2Confident84 Ų8470.2 Ų70.243%0.43138%0.379SS..EExtended strand (participates in β ladder)trans-93.5116.4176.9-62.2176.2000107.4K284 I285 Q286 Y296 H297K284-I294 HydrophobicContact CB-CG2 4.45Å; K284-I294 HydrophobicContact CD-CD1 4.38Å; I285-I294 CarbonylContact O-C 3.6Å; I285-I294 WeakPolarHBondContact O-CA 3.24Å; Q286-I294 HydrophobicContact CG-CG1 4.47Å; I294-Y296 WeakPolarHBondContact CG2-O 3.49Å; I294-H297 HydrophobicContact CG2-CB 4.21Å
295L84.1Confident79.4Confident104 Ų10474 Ų7455%0.54540%0.397SS..EExtended strand (participates in β ladder)trans-87.7-25-178.5-61.1175.7000112.5I285I285-L295 HydrophobicContact CB-CB 4.34Å; I285-L295 HydrophobicContact CG2-CB 4.09Å; I285-L295 HydrophobicContact CG2-CD1 4.12Å; I285-L295 PolarHBondContact O-N 2.88Å
296Y86.3Confident78.7Confident54 Ų5477.5 Ų77.521%0.21241%0.414CS..EExtended strand (participates in β ladder)trans-157.9146.7178.4172.4-97.4000109.6H151 L282 K284 I285 I294H151-Y296 HydrophobicContact CB-CD1 4.19Å; H151-Y296 HydrophobicContact CB-CD2 4.19Å; H151-Y296 HydrophobicContact CB-CG 3.97Å; H151-Y296 AromaticContact CE1-CE2 3.99Å; H151-Y296 AromaticContact ND1-CD2 3.99Å; H151-Y296 AromaticContact ND1-CE2 3.75Å; L282-Y296 HydrophobicContact CD2-CD1 3.88Å; L282-Y296 HydrophobicContact CD2-CE1 3.78Å; L282-Y296 HydrophobicContact CG-CD1 4.33Å; L282-Y296 HydrophobicContact CG-CE1 4.15Å; K284-Y296 CarbonylContact C-O 3.53Å; K284-Y296 WeakPolarHBondContact CA-O 3.39Å; K284-Y296 VanDerWaalsContact CB-O 3.22Å; K284-Y296 WeakPolarHBondContact CB-O 3.49Å; I285-Y296 HydrophobicContact CG1-CD1 4.26Å; I285-Y296 PolarHBondContact N-O 3.16Å; I285-Y296 PolarHBondContact O-N 2.89Å; I294-Y296 WeakPolarHBondContact CG2-O 3.49Å
297H87.1Confident78Confident42 Ų4280 Ų8019%0.19443%0.427CS..EExtended strand (participates in β ladder)trans-149126.4172-165.1-68.6000108.4V283 K284 I294 M299 I300V283-H297 CarbonylContact O-C 3.57Å; V283-H297 WeakPolarHBondContact O-CA 3.43Å; K284-H297 HydrophobicContact CB-CB 4.19Å; I294-H297 HydrophobicContact CG2-CB 4.21Å; H297-M299 PolarHBondContact ND1-N 3.37Å; H297-M299 PolarHBondContact O-N 2.92Å; H297-I300 WeakPolarHBondContact CB-O 3.27Å; H297-I300 PolarHBondContact ND1-N 2.93Å
298S81.8Confident77.4Confident47 Ų4781.7 Ų81.733%0.32943%0.429SS..SBendtrans-69.4-32.7-170.844.80000113.8L282 V283L282-S298 WeakPolarHBondContact O-CB 3.46Å; L282-S298 PolarHBondContact O-OG 2.98Å; V283-S298 PolarHBondContact O-N 3.26Å; V283-S298 PolarHBondContact O-OG 2.7Å
299M74.8Confident77.3Confident165 Ų16587.6 Ų87.681%0.81345%0.453SS*.SBendtrans-103.5-10.2-176.7-176173.4-81.500115H297H297-M299 PolarHBondContact ND1-N 3.37Å; H297-M299 PolarHBondContact O-N 2.92Å
300I72.9Confident77.4Confident95 Ų9589.4 Ų89.449%0.48746%0.463SS..  trans-147.985.3-168.7-49.6177.6000110.5H297H297-I300 WeakPolarHBondContact CB-O 3.27Å; H297-I300 PolarHBondContact ND1-N 2.93Å
301S65.2Low78Confident120 Ų12090.8 Ų90.884%0.83946%0.464SS*.PPolyproline II helixtrans-70128.8161.741.20000109.5
302K74.3Confident78.4Confident98 Ų9891 Ų9143%0.42646%0.458SS..PPolyproline II helixtrans-96.7147168.2-71.9-172.3156.8-72.60109.3E306 I307 I310K302-E306 HydrophobicContact CB-CB 4.41Å; K302-E306 WeakPolarHBondContact CG-OE2 3.48Å; K302-E306 IonicContact NZ-OE2 3.01Å; K302-E306 PolarHBondContact NZ-OE2 3.11Å; K302-I307 HydrophobicContact CB-CD1 4.16Å; K302-I307 HydrophobicContact CB-CG1 3.94Å; K302-I310 HydrophobicContact CD-CD1 3.86Å
303T71.7Confident78.8Confident80 Ų8098.7 Ų98.749%0.49148%0.481SS..PPolyproline II helixtrans-65.1155.6169.362.20000110.3E305 E306 I307T303-E305 PolarHBondContact O-N 3.22Å; T303-E306 PolarHBondContact O-N 3.47Å; T303-E306 WeakPolarHBondContact OG1-CG 3.3Å; T303-E306 PolarHBondContact OG1-N 2.72Å; T303-I307 WeakPolarHBondContact O-CG1 3.41Å; T303-I307 PolarHBondContact O-N 3Å
304E70.1Confident78.7Confident131 Ų13199.9 Ų99.961%0.61248%0.484SS*.Hα-helixtrans-61.6-31.1177.7-66.1-166-175.400112.5I307 R308E304-I307 WeakPolarHBondContact O-CB 3.35Å; E304-I307 PolarHBondContact O-N 2.78Å; E304-R308 WeakPolarHBondContact O-CG 3.43Å; E304-R308 PolarHBondContact O-N 2.85Å; E304-R308 IonicContact OE2-CZ 3.21Å; E304-R308 IonicContact OE2-NE 2.71Å; E304-R308 IonicContact OE2-NH2 3.81Å; E304-R308 PolarHBondContact OE2-NH2 3.35Å
305E72.8Confident78.6Confident132 Ų132101.1 Ų101.162%0.61749%0.488SS*.Hα-helixtrans-69.1-45.9-178.6-56.7-169.7139.200111T303 I307 R308 E309T303-E305 PolarHBondContact O-N 3.22Å; E305-I307 PolarHBondContact O-N 2.88Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-R308 VanDerWaalsContact O-N 3.15Å; E305-E309 WeakPolarHBondContact O-CG 3.2Å; E305-E309 PolarHBondContact O-N 3.42Å
306E76.8Confident78.8Confident77 Ų7798.9 Ų98.936%0.3648%0.484SS..Hα-helixtrans-55.4-39.8168.7-77.1-178.8-142.600112.1K302 T303 E309 I310K302-E306 HydrophobicContact CB-CB 4.41Å; K302-E306 WeakPolarHBondContact CG-OE2 3.48Å; K302-E306 IonicContact NZ-OE2 3.01Å; K302-E306 PolarHBondContact NZ-OE2 3.11Å; T303-E306 PolarHBondContact O-N 3.47Å; T303-E306 WeakPolarHBondContact OG1-CG 3.3Å; T303-E306 PolarHBondContact OG1-N 2.72Å; E306-E309 PolarHBondContact O-N 3.28Å; E306-I310 VanDerWaalsContact O-CB 3.32Å; E306-I310 WeakPolarHBondContact O-CB 3.34Å; E306-I310 WeakPolarHBondContact O-CD1 3.47Å; E306-I310 WeakPolarHBondContact O-CG1 3.21Å; E306-I310 PolarHBondContact O-N 2.81Å
307I75.3Confident78.8Confident70 Ų70101.4 Ų101.436%0.35950%0.496SS..Hα-helixtrans-66.4-44.4178.8-66.3166.9000110.3K302 T303 E304 E305 I310 L311K302-I307 HydrophobicContact CB-CD1 4.16Å; K302-I307 HydrophobicContact CB-CG1 3.94Å; T303-I307 WeakPolarHBondContact O-CG1 3.41Å; T303-I307 PolarHBondContact O-N 3Å; E304-I307 WeakPolarHBondContact O-CB 3.35Å; E304-I307 PolarHBondContact O-N 2.78Å; E305-I307 PolarHBondContact O-N 2.88Å; I307-I310 PolarHBondContact O-N 3.07Å; I307-L311 HydrophobicContact CG2-CD1 4.22Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 VanDerWaalsContact O-CG 3.3Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.32Å
308R76.6Confident78.6Confident127 Ų127104 Ų10448%0.47951%0.51SS..Hα-helixtrans-62.5-39.9175.3-66.4165.3-156.4173.14.2111.7E304 E305 L311 K312E304-R308 WeakPolarHBondContact O-CG 3.43Å; E304-R308 PolarHBondContact O-N 2.85Å; E304-R308 IonicContact OE2-CZ 3.21Å; E304-R308 IonicContact OE2-NE 2.71Å; E304-R308 IonicContact OE2-NH2 3.81Å; E304-R308 PolarHBondContact OE2-NH2 3.35Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-R308 VanDerWaalsContact O-N 3.15Å; R308-L311 PolarHBondContact O-N 2.98Å; R308-K312 WeakPolarHBondContact O-CG 3.39Å; R308-K312 PolarHBondContact O-N 2.84Å
309E81.4Confident79Confident138 Ų138107.8 Ų107.865%0.64552%0.52SS*.Hα-helixtrans-67.3-43.6174.5-72.5-164.5159.600112.8E305 E306 L311 K312 R313E305-E309 WeakPolarHBondContact O-CG 3.2Å; E305-E309 PolarHBondContact O-N 3.42Å; E306-E309 PolarHBondContact O-N 3.28Å; E309-L311 PolarHBondContact O-N 2.62Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-R313 VanDerWaalsContact O-CB 3.25Å; E309-R313 WeakPolarHBondContact O-CB 3.19Å; E309-R313 PolarHBondContact O-N 3.05Å
310I80.4Confident79.7Confident73 Ų73103.8 Ų103.837%0.37450%0.5SS..Hα-helixtrans-61.1-36.5175.4-72.2164.2000110.5K302 E306 I307 K314K302-I310 HydrophobicContact CD-CD1 3.86Å; E306-I310 VanDerWaalsContact O-CB 3.32Å; E306-I310 WeakPolarHBondContact O-CB 3.34Å; E306-I310 WeakPolarHBondContact O-CD1 3.47Å; E306-I310 WeakPolarHBondContact O-CG1 3.21Å; E306-I310 PolarHBondContact O-N 2.81Å; I307-I310 PolarHBondContact O-N 3.07Å; I310-K314 WeakPolarHBondContact O-CB 3.48Å; I310-K314 WeakPolarHBondContact O-CG 3.34Å; I310-K314 PolarHBondContact O-N 2.84Å
311L80.9Confident80.5Confident52 Ų52105.1 Ų105.127%0.27250%0.502SS..Hα-helixtrans-65.3-55.8172.6-74.3168.9000111.9N293 I307 R308 E309 R313 K314 E315N293-L311 WeakPolarHBondContact OD1-CD2 3.28Å; I307-L311 HydrophobicContact CG2-CD1 4.22Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 VanDerWaalsContact O-CG 3.3Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.32Å; R308-L311 PolarHBondContact O-N 2.98Å; E309-L311 PolarHBondContact O-N 2.62Å; L311-R313 PolarHBondContact O-N 2.91Å; L311-K314 WeakPolarHBondContact O-CA 3.23Å; L311-K314 WeakPolarHBondContact O-CB 3.07Å; L311-K314 PolarHBondContact O-N 2.91Å; L311-E315 PolarHBondContact O-N 3.08Å
312K84.9Confident81.6Confident149 Ų149103.9 Ų103.965%0.64848%0.483SS*.Hα-helixtrans-52.1-41.7175.7-71.7172.8179.2179.80111.9R308 E309 E315 A316R308-K312 WeakPolarHBondContact O-CG 3.39Å; R308-K312 PolarHBondContact O-N 2.84Å; E309-K312 PolarHBondContact O-N 3.26Å; K312-E315 PolarHBondContact O-N 3.06Å; K312-A316 WeakPolarHBondContact O-CB 3.46Å; K312-A316 PolarHBondContact O-N 3.44Å
313R85.4Confident82.5Confident182 Ų182104.5 Ų104.569%0.68749%0.487SS*.Hα-helixtrans-75.7-24.7178.8-161173.2-169.5-1774113.7E309 L311 K317E309-R313 VanDerWaalsContact O-CB 3.25Å; E309-R313 WeakPolarHBondContact O-CB 3.19Å; E309-R313 PolarHBondContact O-N 3.05Å; L311-R313 PolarHBondContact O-N 2.91Å; R313-K317 WeakPolarHBondContact O-CD 3.31Å; R313-K317 VanDerWaalsContact O-CG 3.29Å; R313-K317 WeakPolarHBondContact O-CG 3.21Å
314K81.6Confident83.5Confident77 Ų77108.3 Ų108.334%0.33549%0.492SS..Hα-helixtrans-70.3-47.1166.2-84.2-175.7-178.8-173.20110.4D291 G292 N293 I310 L311 K317 M318D291-K314 PolarHBondContact O-NZ 3.02Å; G292-K314 PolarHBondContact O-NZ 3.4Å; G292-K314 VanDerWaalsContact O-NZ 3.09Å; N293-K314 PolarHBondContact OD1-NZ 3.27Å; N293-K314 VanDerWaalsContact OD1-NZ 3.15Å; I310-K314 WeakPolarHBondContact O-CB 3.48Å; I310-K314 WeakPolarHBondContact O-CG 3.34Å; I310-K314 PolarHBondContact O-N 2.84Å; L311-K314 WeakPolarHBondContact O-CA 3.23Å; L311-K314 WeakPolarHBondContact O-CB 3.07Å; L311-K314 PolarHBondContact O-N 2.91Å; K314-K317 CarbonylContact O-C 3.49Å; K314-K317 PolarHBondContact O-N 3.25Å; K314-M318 WeakPolarHBondContact O-CG 3.37Å; K314-M318 PolarHBondContact O-N 2.98Å
315E85.7Confident84.5Confident111 Ų111109.4 Ų109.452%0.51949%0.491SS..Hα-helixtrans-63.6-46.1-177.6-73.1175.7-166.500112.4L311 K312 K317 M318 K319L311-E315 PolarHBondContact O-N 3.08Å; K312-E315 PolarHBondContact O-N 3.06Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.46Å; E315-M318 WeakPolarHBondContact O-CA 3.35Å; E315-M318 WeakPolarHBondContact O-CB 3.22Å; E315-M318 PolarHBondContact O-N 3.41Å; E315-K319 PolarHBondContact O-N 3.24Å
316A87.9Confident85.5Confident57 Ų57109 Ų10947%0.47149%0.487SS..Hα-helixtrans-54.7-44.917300000111.6K312 M318 K319 E320K312-A316 WeakPolarHBondContact O-CB 3.46Å; K312-A316 PolarHBondContact O-N 3.44Å; A316-M318 PolarHBondContact O-N 2.81Å; A316-K319 PolarHBondContact O-N 3.5Å; A316-E320 WeakPolarHBondContact O-CB 3.14Å; A316-E320 PolarHBondContact O-N 2.82Å
317K86.7Confident86.2Confident107 Ų107108.5 Ų108.547%0.46549%0.489SS..Hα-helixtrans-71.7-8.4175.5-72.4179.6178.4-176.40114.8R313 K314 E315 K321R313-K317 WeakPolarHBondContact O-CD 3.31Å; R313-K317 VanDerWaalsContact O-CG 3.29Å; R313-K317 WeakPolarHBondContact O-CG 3.21Å; K314-K317 CarbonylContact O-C 3.49Å; K314-K317 PolarHBondContact O-N 3.25Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.46Å; K317-K321 WeakPolarHBondContact O-CD 3.48Å; K317-K321 VanDerWaalsContact O-CE 3.26Å; K317-K321 WeakPolarHBondContact O-CE 3.32Å; K317-K321 VanDerWaalsContact O-CG 3.22Å; K317-K321 WeakPolarHBondContact O-CG 3.44Å
318M84.6Confident86.8Confident97 Ų97111.4 Ų111.448%0.47850%0.501SS..Hα-helixtrans-91.2-47.2170-75.1-61.5-61.200110.2K314 E315 A316 E320 K321 E322K314-M318 WeakPolarHBondContact O-CG 3.37Å; K314-M318 PolarHBondContact O-N 2.98Å; E315-M318 WeakPolarHBondContact O-CA 3.35Å; E315-M318 WeakPolarHBondContact O-CB 3.22Å; E315-M318 PolarHBondContact O-N 3.41Å; A316-M318 PolarHBondContact O-N 2.81Å; M318-E320 PolarHBondContact O-N 2.98Å; M318-K321 WeakPolarHBondContact O-CB 3.39Å; M318-K321 PolarHBondContact O-N 2.97Å; M318-E322 WeakPolarHBondContact O-CG 3.28Å; M318-E322 PolarHBondContact O-N 3.25Å
319K89Confident87.6Confident126 Ų126109.9 Ų109.955%0.54850%0.5SS..Hα-helixtrans-54.9-49.7173.9-64.8-179.4-178-179.10111.5E315 A316 K321 E322 E323E315-K319 PolarHBondContact O-N 3.24Å; A316-K319 PolarHBondContact O-N 3.5Å; K319-K321 VanDerWaalsContact C-N 3.26Å; K319-K321 PolarHBondContact O-N 3.36Å; K319-E322 CarbonylContact O-C 3.54Å; K319-E322 PolarHBondContact O-N 2.54Å; K319-E323 WeakPolarHBondContact O-CG 3.34Å; K319-E323 PolarHBondContact O-N 3.19Å
320E90.1Very high88.2Confident81 Ų81109.1 Ų109.138%0.37950%0.496SS..Hα-helixtrans-57.3-36.7176.5-166.7-157.316900112.8A316 M318 R324A316-E320 WeakPolarHBondContact O-CB 3.14Å; A316-E320 PolarHBondContact O-N 2.82Å; M318-E320 PolarHBondContact O-N 2.98Å; E320-R324 WeakPolarHBondContact O-CB 3.26Å; E320-R324 VanDerWaalsContact O-CD 3.32Å; E320-R324 WeakPolarHBondContact O-CD 3.39Å; E320-R324 WeakPolarHBondContact O-CG 3.18Å; E320-R324 PolarHBondContact O-N 2.96Å; E320-R324 IonicContact OE1-CZ 2.64Å; E320-R324 VanDerWaalsContact OE1-CZ 3.23Å; E320-R324 IonicContact OE1-NE 2.61Å; E320-R324 PolarHBondContact OE1-NE 3.37Å; E320-R324 IonicContact OE1-NH2 3.73Å; E320-R324 PolarHBondContact OE1-NH2 3.29Å
321K89Confident88.8Confident122 Ų122110.3 Ų110.353%0.5350%0.504SS..Hα-helixtrans-74.4-34.4176.2-74.3173.1-166.9160.70112.6K317 M318 K319 R325K317-K321 WeakPolarHBondContact O-CD 3.48Å; K317-K321 VanDerWaalsContact O-CE 3.26Å; K317-K321 WeakPolarHBondContact O-CE 3.32Å; K317-K321 VanDerWaalsContact O-CG 3.22Å; K317-K321 WeakPolarHBondContact O-CG 3.44Å; M318-K321 WeakPolarHBondContact O-CB 3.39Å; M318-K321 PolarHBondContact O-N 2.97Å; K319-K321 VanDerWaalsContact C-N 3.26Å; K319-K321 PolarHBondContact O-N 3.36Å; K321-R325 WeakPolarHBondContact O-CB 3.29Å; K321-R325 PolarHBondContact O-N 2.95Å
322E89.3Confident89.5Confident95 Ų95112.1 Ų112.144%0.44452%0.517SS..Hα-helixtrans-71-35.8175.6-72.6173-158.300111.1M318 K319 R325 K326M318-E322 WeakPolarHBondContact O-CG 3.28Å; M318-E322 PolarHBondContact O-N 3.25Å; K319-E322 CarbonylContact O-C 3.54Å; K319-E322 PolarHBondContact O-N 2.54Å; E322-R325 PolarHBondContact O-N 2.91Å; E322-K326 WeakPolarHBondContact O-CB 3.32Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.65Å
323E92.8Very high89.8Confident110 Ų110106.9 Ų106.951%0.51450%0.501SS..Hα-helixtrans-66.1-49.3171.3-71151.6-161.500111.8K319 R325 K326 T327K319-E323 WeakPolarHBondContact O-CG 3.34Å; K319-E323 PolarHBondContact O-N 3.19Å; E323-R325 PolarHBondContact O-N 3.34Å; E323-K326 PolarHBondContact O-N 3.15Å; E323-T327 WeakPolarHBondContact O-CB 3.48Å; E323-T327 WeakPolarHBondContact O-CG2 3.46Å; E323-T327 PolarHBondContact O-N 3.19Å; E323-T327 PolarHBondContact O-OG1 3.04Å
324R91.8Very high90.2Very high160 Ų160100.9 Ų100.960%0.60448%0.484SS*.Hα-helixtrans-56.5-33.5170.8-73164.5179.2-108.97.8112.2E320 T327 Q328E320-R324 WeakPolarHBondContact O-CB 3.26Å; E320-R324 VanDerWaalsContact O-CD 3.32Å; E320-R324 WeakPolarHBondContact O-CD 3.39Å; E320-R324 WeakPolarHBondContact O-CG 3.18Å; E320-R324 PolarHBondContact O-N 2.96Å; E320-R324 IonicContact OE1-CZ 2.64Å; E320-R324 VanDerWaalsContact OE1-CZ 3.23Å; E320-R324 IonicContact OE1-NE 2.61Å; E320-R324 PolarHBondContact OE1-NE 3.37Å; E320-R324 IonicContact OE1-NH2 3.73Å; E320-R324 PolarHBondContact OE1-NH2 3.29Å; R324-T327 WeakPolarHBondContact CA-OG1 3.4Å; R324-T327 PolarHBondContact O-OG1 3Å; R324-T327 VanDerWaalsContact O-OG1 3.1Å; R324-Q328 VanDerWaalsContact O-CB 3.31Å; R324-Q328 WeakPolarHBondContact O-CB 3.13Å; R324-Q328 PolarHBondContact O-N 2.96Å; R324-Q328 VanDerWaalsContact O-N 3.14Å
325R91.7Very high90.7Very high155 Ų155104.6 Ų104.659%0.58550%0.501SS*.Hα-helixtrans-77.8-46.1177.9-177.1174.5174.4-170.6-7.7112.4K321 E322 E323 T327 Q328 E329K321-R325 WeakPolarHBondContact O-CB 3.29Å; K321-R325 PolarHBondContact O-N 2.95Å; E322-R325 PolarHBondContact O-N 2.91Å; E323-R325 PolarHBondContact O-N 3.34Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 2.96Å; R325-Q328 CarbonylContact O-C 3.31Å; R325-Q328 PolarHBondContact O-N 3.01Å; R325-Q328 VanDerWaalsContact O-N 3.14Å; R325-E329 HydrophobicContact CG-CG 4.35Å; R325-E329 IonicContact CZ-OE1 3.46Å; R325-E329 IonicContact NE-OE1 3.32Å; R325-E329 PolarHBondContact NE-OE1 2.96Å; R325-E329 IonicContact NE-OE2 3.23Å; R325-E329 IonicContact NH2-OE1 3.72Å; R325-E329 PolarHBondContact NH2-OE1 3.4Å; R325-E329 WeakPolarHBondContact O-CB 3.38Å; R325-E329 WeakPolarHBondContact O-CG 3.39Å; R325-E329 PolarHBondContact O-N 3.12Å
326K92.9Very high91.1Very high122 Ų122105 Ų10553%0.5350%0.5SS..Hα-helixtrans-58-46.4175.6-74.9164.8-176.9173.30111E322 E323 Q328 E329 Q330E322-K326 WeakPolarHBondContact O-CB 3.32Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.65Å; E323-K326 PolarHBondContact O-N 3.15Å; K326-Q328 PolarHBondContact O-N 2.75Å; K326-E329 PolarHBondContact O-N 2.83Å; K326-Q330 WeakPolarHBondContact O-CB 3.33Å; K326-Q330 VanDerWaalsContact O-CG 3.3Å; K326-Q330 WeakPolarHBondContact O-CG 3.48Å; K326-Q330 PolarHBondContact O-N 2.84Å
327T91.9Very high91.3Very high67 Ų67107.1 Ų107.141%0.41150%0.501SS..Hα-helixtrans-64.7-37175.3500000112.1E323 R324 R325 N331E323-T327 WeakPolarHBondContact O-CB 3.48Å; E323-T327 WeakPolarHBondContact O-CG2 3.46Å; E323-T327 PolarHBondContact O-N 3.19Å; E323-T327 PolarHBondContact O-OG1 3.04Å; R324-T327 WeakPolarHBondContact CA-OG1 3.4Å; R324-T327 PolarHBondContact O-OG1 3Å; R324-T327 VanDerWaalsContact O-OG1 3.1Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 2.96Å; T327-N331 VanDerWaalsContact O-CB 3.29Å; T327-N331 WeakPolarHBondContact O-CB 3.5Å; T327-N331 VanDerWaalsContact O-CG 3.27Å; T327-N331 PolarHBondContact O-N 3.3Å; T327-N331 PolarHBondContact O-ND2 3.19Å
328Q89.1Confident91.6Very high131 Ų131108.4 Ų108.461%0.61251%0.506SS*.Hα-helixtrans-66.5-40.9172.7-172.3173.713.800112.4R324 R325 K326 N331 V332R324-Q328 VanDerWaalsContact O-CB 3.31Å; R324-Q328 WeakPolarHBondContact O-CB 3.13Å; R324-Q328 PolarHBondContact O-N 2.96Å; R324-Q328 VanDerWaalsContact O-N 3.14Å; R325-Q328 CarbonylContact O-C 3.31Å; R325-Q328 PolarHBondContact O-N 3.01Å; R325-Q328 VanDerWaalsContact O-N 3.14Å; K326-Q328 PolarHBondContact O-N 2.75Å; Q328-N331 PolarHBondContact O-N 2.86Å; Q328-V332 WeakPolarHBondContact O-CG2 3.39Å; Q328-V332 PolarHBondContact O-N 2.93Å
329E92.6Very high91.9Very high95 Ų95113.5 Ų113.544%0.44452%0.52SS..Hα-helixtrans-68-39.9178.5-73.8171.3165.200111.4R325 K326 V332 A333R325-E329 HydrophobicContact CG-CG 4.35Å; R325-E329 IonicContact CZ-OE1 3.46Å; R325-E329 IonicContact NE-OE1 3.32Å; R325-E329 PolarHBondContact NE-OE1 2.96Å; R325-E329 IonicContact NE-OE2 3.23Å; R325-E329 IonicContact NH2-OE1 3.72Å; R325-E329 PolarHBondContact NH2-OE1 3.4Å; R325-E329 WeakPolarHBondContact O-CB 3.38Å; R325-E329 WeakPolarHBondContact O-CG 3.39Å; R325-E329 PolarHBondContact O-N 3.12Å; K326-E329 PolarHBondContact O-N 2.83Å; E329-V332 PolarHBondContact O-N 3.08Å; E329-A333 WeakPolarHBondContact O-CB 3.19Å; E329-A333 PolarHBondContact O-N 3.01Å
330Q94Very high92Very high123 Ų123112 Ų11258%0.57552%0.515SS*.Hα-helixtrans-61.7-42.8169.4-73168.2-29.800112.5K326 V332 A333 T334K326-Q330 WeakPolarHBondContact O-CB 3.33Å; K326-Q330 VanDerWaalsContact O-CG 3.3Å; K326-Q330 WeakPolarHBondContact O-CG 3.48Å; K326-Q330 PolarHBondContact O-N 2.84Å; Q330-V332 VanDerWaalsContact C-N 3.26Å; Q330-V332 PolarHBondContact O-N 2.84Å; Q330-A333 PolarHBondContact O-N 3.36Å; Q330-T334 WeakPolarHBondContact O-CB 3.28Å; Q330-T334 WeakPolarHBondContact O-CG2 3.29Å; Q330-T334 PolarHBondContact O-N 2.85Å; Q330-T334 PolarHBondContact O-OG1 3.2Å
331N93.7Very high92.1Very high98 Ų98112.8 Ų112.852%0.52452%0.519SS..Hα-helixtrans-68.2-22.7176.1-80.5-50.3000113.3T327 Q328 K335T327-N331 VanDerWaalsContact O-CB 3.29Å; T327-N331 WeakPolarHBondContact O-CB 3.5Å; T327-N331 VanDerWaalsContact O-CG 3.27Å; T327-N331 PolarHBondContact O-N 3.3Å; T327-N331 PolarHBondContact O-ND2 3.19Å; Q328-N331 PolarHBondContact O-N 2.86Å; N331-K335 WeakPolarHBondContact O-CB 3.02Å; N331-K335 WeakPolarHBondContact O-CD 3.44Å; N331-K335 WeakPolarHBondContact O-CG 3.38Å
332V94.3Very high92.2Very high90 Ų90111.9 Ų111.955%0.54552%0.52SS..Hα-helixtrans-83.9-40.4171.9169.70000111Q328 E329 Q330 K335 K336Q328-V332 WeakPolarHBondContact O-CG2 3.39Å; Q328-V332 PolarHBondContact O-N 2.93Å; E329-V332 PolarHBondContact O-N 3.08Å; Q330-V332 VanDerWaalsContact C-N 3.26Å; Q330-V332 PolarHBondContact O-N 2.84Å; V332-K335 PolarHBondContact O-N 3.27Å; V332-K336 WeakPolarHBondContact O-CB 3.34Å; V332-K336 PolarHBondContact O-N 2.98Å
333A92.8Very high92.2Very high38 Ų38114.2 Ų114.231%0.31453%0.528SS..Hα-helixtrans-59.5-55175.200000111.4E329 Q330 K335 K336 E337E329-A333 WeakPolarHBondContact O-CB 3.19Å; E329-A333 PolarHBondContact O-N 3.01Å; Q330-A333 PolarHBondContact O-N 3.36Å; A333-K335 VanDerWaalsContact C-N 3.27Å; A333-K335 PolarHBondContact O-N 3.47Å; A333-K336 CarbonylContact O-C 3.47Å; A333-K336 WeakPolarHBondContact O-CA 3.37Å; A333-K336 WeakPolarHBondContact O-CB 3.37Å; A333-K336 PolarHBondContact O-N 2.94Å; A333-E337 WeakPolarHBondContact O-CG 3.46Å; A333-E337 PolarHBondContact O-N 3.22Å
334T92.9Very high92.1Very high56 Ų56115.3 Ų115.334%0.34453%0.531SS..Hα-helixtrans-60.8-31177.852.40000113.8Q330 E337 K338Q330-T334 WeakPolarHBondContact O-CB 3.28Å; Q330-T334 WeakPolarHBondContact O-CG2 3.29Å; Q330-T334 PolarHBondContact O-N 2.85Å; Q330-T334 PolarHBondContact O-OG1 3.2Å; T334-E337 WeakPolarHBondContact CA-OE2 3.49Å; T334-K338 WeakPolarHBondContact O-CB 3.18Å; T334-K338 VanDerWaalsContact O-CG 3.27Å; T334-K338 WeakPolarHBondContact O-CG 3.41Å; T334-K338 PolarHBondContact O-N 3.05Å; T334-K338 VanDerWaalsContact O-N 3.09Å
335K92.4Very high92Very high156 Ų156113.6 Ų113.668%0.67853%0.528SS*.Hα-helixtrans-72.3-33.2170.7-79-179.4-179.8-174.50113N331 V332 A333 R339N331-K335 WeakPolarHBondContact O-CB 3.02Å; N331-K335 WeakPolarHBondContact O-CD 3.44Å; N331-K335 WeakPolarHBondContact O-CG 3.38Å; V332-K335 PolarHBondContact O-N 3.27Å; A333-K335 VanDerWaalsContact C-N 3.27Å; A333-K335 PolarHBondContact O-N 3.47Å; K335-R339 WeakPolarHBondContact O-CB 3.26Å; K335-R339 PolarHBondContact O-N 2.86Å; K335-R339 VanDerWaalsContact O-N 3.13Å
336K93Very high91.7Very high118 Ų118109.4 Ų109.451%0.51352%0.523SS..Hα-helixtrans-72.6-44.5175.3-176.2176176.3-68.60111.1V332 A333 R339 E340V332-K336 WeakPolarHBondContact O-CB 3.34Å; V332-K336 PolarHBondContact O-N 2.98Å; A333-K336 CarbonylContact O-C 3.47Å; A333-K336 WeakPolarHBondContact O-CA 3.37Å; A333-K336 WeakPolarHBondContact O-CB 3.37Å; A333-K336 PolarHBondContact O-N 2.94Å; K336-R339 CarbonylContact O-C 3.57Å; K336-R339 WeakPolarHBondContact O-CB 3.13Å; K336-R339 PolarHBondContact O-N 3.02Å; K336-R339 VanDerWaalsContact O-N 3.16Å; K336-E340 VanDerWaalsContact CE-OE1 3.28Å; K336-E340 WeakPolarHBondContact CE-OE1 3.22Å; K336-E340 WeakPolarHBondContact CG-OE1 3.39Å; K336-E340 IonicContact NZ-OE1 3.91Å; K336-E340 PolarHBondContact NZ-OE1 2.95Å; K336-E340 IonicContact NZ-OE2 3.62Å; K336-E340 WeakPolarHBondContact O-CG 3.25Å; K336-E340 PolarHBondContact O-N 2.9Å
337E93.6Very high91.3Very high103 Ų103108 Ų10848%0.48152%0.521SS..Hα-helixtrans-56.3-54173.8-71.9154.6-169.500110.8A333 T334 R339 E340 E341A333-E337 WeakPolarHBondContact O-CG 3.46Å; A333-E337 PolarHBondContact O-N 3.22Å; T334-E337 WeakPolarHBondContact CA-OE2 3.49Å; E337-R339 VanDerWaalsContact C-N 3.26Å; E337-R339 PolarHBondContact O-N 3.08Å; E337-E340 CarbonylContact O-C 3.51Å; E337-E340 WeakPolarHBondContact O-CA 3.29Å; E337-E340 PolarHBondContact O-N 2.79Å; E337-E341 PolarHBondContact O-N 3.27Å
338K92.5Very high91Very high134 Ų134110.2 Ų110.258%0.58353%0.526SS*.Hα-helixtrans-60.2-32.4175.7-72175.2179.8-176.40113.4T334 N342T334-K338 WeakPolarHBondContact O-CB 3.18Å; T334-K338 VanDerWaalsContact O-CG 3.27Å; T334-K338 WeakPolarHBondContact O-CG 3.41Å; T334-K338 PolarHBondContact O-N 3.05Å; T334-K338 VanDerWaalsContact O-N 3.09Å; K338-N342 WeakPolarHBondContact O-CB 3.49Å; K338-N342 PolarHBondContact O-N 3.34Å; K338-N342 PolarHBondContact O-OD1 3.27Å
339R90.7Very high90.7Very high204 Ų204105.7 Ų105.777%0.7752%0.515SS*.Hα-helixtrans-71.4-34.4173.7-169.3176.8-174.1-176.73112.1K335 K336 E337 K343K335-R339 WeakPolarHBondContact O-CB 3.26Å; K335-R339 PolarHBondContact O-N 2.86Å; K335-R339 VanDerWaalsContact O-N 3.13Å; K336-R339 CarbonylContact O-C 3.57Å; K336-R339 WeakPolarHBondContact O-CB 3.13Å; K336-R339 PolarHBondContact O-N 3.02Å; K336-R339 VanDerWaalsContact O-N 3.16Å; E337-R339 VanDerWaalsContact C-N 3.26Å; E337-R339 PolarHBondContact O-N 3.08Å; R339-K343 WeakPolarHBondContact O-CB 3.47Å; R339-K343 PolarHBondContact O-N 2.78Å
340E92.1Very high90.1Very high94 Ų94105.3 Ų105.344%0.43952%0.516SS..Hα-helixtrans-75.9-37.5176.1-75.9171.6-158.200112.1K336 E337 K343 K344K336-E340 VanDerWaalsContact CE-OE1 3.28Å; K336-E340 WeakPolarHBondContact CE-OE1 3.22Å; K336-E340 WeakPolarHBondContact CG-OE1 3.39Å; K336-E340 IonicContact NZ-OE1 3.91Å; K336-E340 PolarHBondContact NZ-OE1 2.95Å; K336-E340 IonicContact NZ-OE2 3.62Å; K336-E340 WeakPolarHBondContact O-CG 3.25Å; K336-E340 PolarHBondContact O-N 2.9Å; E337-E340 CarbonylContact O-C 3.51Å; E337-E340 WeakPolarHBondContact O-CA 3.29Å; E337-E340 PolarHBondContact O-N 2.79Å; E340-K343 PolarHBondContact O-N 3.19Å; E340-K344 WeakPolarHBondContact O-CG 3.38Å; E340-K344 PolarHBondContact O-N 2.94Å
341E92.3Very high89.4Confident98 Ų98106.6 Ų106.646%0.45852%0.519SS..Hα-helixtrans-60.7-49.7168.8-73.3-179.8-173.500111.9E337 K343 K344 K345E337-E341 PolarHBondContact O-N 3.27Å; E341-K343 PolarHBondContact O-N 3.42Å; E341-K344 PolarHBondContact O-N 3.43Å; E341-K344 VanDerWaalsContact O-N 3.14Å; E341-K345 WeakPolarHBondContact O-CG 3.19Å; E341-K345 PolarHBondContact O-N 3.02Å
342N89.8Confident88.5Confident103 Ų103108.3 Ų108.355%0.55152%0.522SS*.Hα-helixtrans-62.7-34.3177.2-73.2-1.2000111.4K338 S346K338-N342 WeakPolarHBondContact O-CB 3.49Å; K338-N342 PolarHBondContact O-N 3.34Å; K338-N342 PolarHBondContact O-OD1 3.27Å; N342-S346 VanDerWaalsContact O-CB 3.23Å; N342-S346 WeakPolarHBondContact O-CB 3.26Å; N342-S346 PolarHBondContact O-N 2.88Å
343K90.3Very high87.5Confident143 Ų143111.4 Ų111.462%0.62253%0.528SS*.Hα-helixtrans-68.4-38.8173.3-169174.7-177-179.10112.5R339 E340 E341 L347R339-K343 WeakPolarHBondContact O-CB 3.47Å; R339-K343 PolarHBondContact O-N 2.78Å; E340-K343 PolarHBondContact O-N 3.19Å; E341-K343 PolarHBondContact O-N 3.42Å; K343-L347 HydrophobicContact CG-CD1 4.24Å; K343-L347 WeakPolarHBondContact O-CB 3.31Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.37Å; K343-L347 PolarHBondContact O-N 3.06Å
344K90.4Very high86.3Confident133 Ų133115.4 Ų115.458%0.57854%0.54SS*.Hα-helixtrans-62.8-51.8173-74.4175.3-179.2-179.40111.2E340 E341 S346 L347 E348E340-K344 WeakPolarHBondContact O-CG 3.38Å; E340-K344 PolarHBondContact O-N 2.94Å; E341-K344 PolarHBondContact O-N 3.43Å; E341-K344 VanDerWaalsContact O-N 3.14Å; K344-S346 VanDerWaalsContact C-N 3.28Å; K344-S346 PolarHBondContact O-N 2.86Å; K344-L347 CarbonylContact O-C 3.4Å; K344-L347 WeakPolarHBondContact O-CB 3.2Å; K344-L347 PolarHBondContact O-N 2.97Å; K344-E348 WeakPolarHBondContact O-CB 3.31Å; K344-E348 WeakPolarHBondContact O-CG 3.29Å; K344-E348 PolarHBondContact O-N 3.33Å
345K89.3Confident85Confident124 Ų124115 Ų11554%0.53954%0.543SS..Hα-helixtrans-58.3-37.8177.4-69.4170.4-178.3169.60112.6E341 G349E341-K345 WeakPolarHBondContact O-CG 3.19Å; E341-K345 PolarHBondContact O-N 3.02Å; K345-G349 PolarHBondContact O-N 3.07Å
346S85.4Confident83.5Confident68 Ų68111.9 Ų111.948%0.47653%0.53SS..Hα-helixtrans-64.8-45.4172.7170.50000112.3N342 K344 G349 I350N342-S346 VanDerWaalsContact O-CB 3.23Å; N342-S346 WeakPolarHBondContact O-CB 3.26Å; N342-S346 PolarHBondContact O-N 2.88Å; K344-S346 VanDerWaalsContact C-N 3.28Å; K344-S346 PolarHBondContact O-N 2.86Å; S346-G349 PolarHBondContact O-N 3.4Å; S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 3.4Å; S346-I350 PolarHBondContact O-N 2.95Å
347L84.3Confident81.9Confident91 Ų91109.6 Ų109.648%0.47653%0.533SS..Hα-helixtrans-66.2-35.8176-71.4166.4000112.7K343 K344 K351K343-L347 HydrophobicContact CG-CD1 4.24Å; K343-L347 WeakPolarHBondContact O-CB 3.31Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.37Å; K343-L347 PolarHBondContact O-N 3.06Å; K344-L347 CarbonylContact O-C 3.4Å; K344-L347 WeakPolarHBondContact O-CB 3.2Å; K344-L347 PolarHBondContact O-N 2.97Å; L347-K351 WeakPolarHBondContact O-CB 3.43Å; L347-K351 WeakPolarHBondContact O-CG 3.43Å; L347-K351 PolarHBondContact O-N 3.21Å
348E84.8Confident80.1Confident114 Ų114112 Ų11253%0.53355%0.545SS..Hα-helixtrans-67.1-42.1173.9-73.4154-16600111.3K344 K351 K352K344-E348 WeakPolarHBondContact O-CB 3.31Å; K344-E348 WeakPolarHBondContact O-CG 3.29Å; K344-E348 PolarHBondContact O-N 3.33Å; E348-K351 PolarHBondContact O-N 2.93Å; E348-K352 PolarHBondContact O-N 3.18Å
349G83.3Confident78.1Confident37 Ų37113.5 Ų113.538%0.38155%0.554SS.*Hα-helixtrans-64.1-38.6173.500000113.5K345 S346 K352 K353K345-G349 PolarHBondContact O-N 3.07Å; S346-G349 PolarHBondContact O-N 3.4Å; G349-K352 PolarHBondContact O-N 3.32Å; G349-K353 PolarHBondContact O-N 2.77Å; G349-K353 VanDerWaalsContact O-N 3.09Å
350I81.4Confident76Confident87 Ų87111 Ų11145%0.44656%0.556SS.*Hα-helixtrans-63.8-47.4172.5-68.9162.6000110.2S346 K352 K353 Q354S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 3.4Å; S346-I350 PolarHBondContact O-N 2.95Å; I350-K352 VanDerWaalsContact C-N 3.35Å; I350-K352 PolarHBondContact O-N 3.47Å; I350-K353 PolarHBondContact O-N 2.84Å; I350-Q354 WeakPolarHBondContact O-CG 3.33Å; I350-Q354 PolarHBondContact O-N 3.33Å
351K78.1Confident73.8Confident150 Ų150110.6 Ų110.665%0.65256%0.563SS**Hα-helixtrans-59.9-41176.6-79.1-176.3171.8-162.30113.1L347 E348 Q354 A355L347-K351 WeakPolarHBondContact O-CB 3.43Å; L347-K351 WeakPolarHBondContact O-CG 3.43Å; L347-K351 PolarHBondContact O-N 3.21Å; E348-K351 PolarHBondContact O-N 2.93Å; K351-Q354 PolarHBondContact O-N 2.71Å; K351-A355 PolarHBondContact O-N 2.65Å
352K76.1Confident71.4Confident133 Ų133115.2 Ų115.258%0.57859%0.585SS**Hα-helixtrans-65.3-41.8178.2-162.3175.7-168.8-74.20111.2E348 G349 I350 Q354 A355 E356E348-K352 PolarHBondContact O-N 3.18Å; G349-K352 PolarHBondContact O-N 3.32Å; I350-K352 VanDerWaalsContact C-N 3.35Å; I350-K352 PolarHBondContact O-N 3.47Å; K352-Q354 VanDerWaalsContact C-N 3.3Å; K352-Q354 PolarHBondContact O-N 2.87Å; K352-A355 PolarHBondContact O-N 2.95Å; K352-E356 IonicContact NZ-OE1 3.69Å; K352-E356 PolarHBondContact NZ-OE1 3.49Å; K352-E356 WeakPolarHBondContact O-CB 3.2Å; K352-E356 VanDerWaalsContact O-CG 3.29Å; K352-E356 WeakPolarHBondContact O-CG 3.27Å; K352-E356 PolarHBondContact O-N 2.92Å
353K72.7Confident69.2Low156 Ų156116.8 Ų116.868%0.67860%0.598SS**Hα-helixtrans-63.4-31.5172.1-77.6-169.8169.9-163.70114G349 I350 A357G349-K353 PolarHBondContact O-N 2.77Å; G349-K353 VanDerWaalsContact O-N 3.09Å; I350-K353 PolarHBondContact O-N 2.84Å; K353-A357 WeakPolarHBondContact O-CB 3.4Å; K353-A357 PolarHBondContact O-N 2.94Å
354Q66.3Low66.7Low122 Ų122119 Ų11957%0.5761%0.61SS**Hα-helixtrans-71.2-43173.6-71-173.6-80.100111.3I350 K351 K352 A357 E358I350-Q354 WeakPolarHBondContact O-CG 3.33Å; I350-Q354 PolarHBondContact O-N 3.33Å; K351-Q354 PolarHBondContact O-N 2.71Å; K352-Q354 VanDerWaalsContact C-N 3.3Å; K352-Q354 PolarHBondContact O-N 2.87Å; Q354-A357 CarbonylContact O-C 3.57Å; Q354-A357 PolarHBondContact O-N 2.98Å; Q354-A357 VanDerWaalsContact O-N 3.15Å; Q354-E358 PolarHBondContact O-N 3.01Å
355A66.7Low64.1Low48 Ų48119.9 Ų119.940%0.39762%0.621SS.*Hα-helixtrans-64.3-43.6175.400000112.3K351 K352 A357 E358 E359K351-A355 PolarHBondContact O-N 2.65Å; K352-A355 PolarHBondContact O-N 2.95Å; A355-A357 PolarHBondContact O-N 3.21Å; A355-E358 PolarHBondContact O-N 3.46Å; A355-E359 PolarHBondContact O-N 3.47Å
356E61.1Low62.1Low89 Ų89119.8 Ų119.842%0.41663%0.634SS.*Hα-helixtrans-61.4-23.4173.9-71.8165.3171.300112.6K352K352-E356 IonicContact NZ-OE1 3.69Å; K352-E356 PolarHBondContact NZ-OE1 3.49Å; K352-E356 WeakPolarHBondContact O-CB 3.2Å; K352-E356 VanDerWaalsContact O-CG 3.29Å; K352-E356 WeakPolarHBondContact O-CG 3.27Å; K352-E356 PolarHBondContact O-N 2.92Å
357A59.7Low59.8Low70 Ų70120.1 Ų120.158%0.57965%0.648SS**Hα-helixtrans-93.2-9.4174.500000114.2K353 Q354 A355K353-A357 WeakPolarHBondContact O-CB 3.4Å; K353-A357 PolarHBondContact O-N 2.94Å; Q354-A357 CarbonylContact O-C 3.57Å; Q354-A357 PolarHBondContact O-N 2.98Å; Q354-A357 VanDerWaalsContact O-N 3.15Å; A355-A357 PolarHBondContact O-N 3.21Å
358E54.8Low57.7Low154 Ų154123.5 Ų123.572%0.7266%0.663SS**Hα-helixtrans-91.2-21.4166.3-72.3178.7137.300111.5Q354 A355 S361Q354-E358 PolarHBondContact O-N 3.01Å; A355-E358 PolarHBondContact O-N 3.46Å; E358-S361 PolarHBondContact O-OG 3.3Å
359E49.8Very low55.4Low166 Ų166126.4 Ų126.478%0.77668%0.677SS**Hα-helixtrans-84.8-26.4178.9-164.2166.8-159.600112.9A355 S361A355-E359 PolarHBondContact O-N 3.47Å; E359-S361 PolarHBondContact O-N 3.26Å
360D46.8Very low53.1Low151 Ų151130.6 Ų130.681%0.80769%0.69SS**SBendtrans-94.830.1179.8-160.430.5000113.1
361S45.6Very low51.2Low85 Ų85133.5 Ų133.559%0.59471%0.707SS**  trans-120.721.9-173.581.20000115.7E358 E359 V363E358-S361 PolarHBondContact O-OG 3.3Å; E359-S361 PolarHBondContact O-N 3.26Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 2.86Å
362E42.8Very low49Very low196 Ų196137.6 Ų137.692%0.91672%0.718SS**  trans-89.154.3178.4-159.3175.9-156.400113
363V43.5Very low47.2Very low136 Ų136137 Ų13782%0.82473%0.728SS**  trans-137.5115.3166.5-176.10000109.2S361S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 2.86Å
364E38.8Very low45.4Very low188 Ų188133.7 Ų133.788%0.87973%0.73SS**  trans-72.6131.7179.1-65.8-174.2108.700112.7
365D35.7Very low44.2Very low152 Ų152132.9 Ų132.981%0.81374%0.744SS**  trans-133.6106.5153.5-172.415.4000109.5G367D365-G367 PolarHBondContact O-N 3.12Å; D365-G367 VanDerWaalsContact O-N 3.09Å
366P46.8Very low42.9Very low123 Ų123136.1 Ų136.180%0.79976%0.758SS**  trans-83.886.1-166.431.9-35.5000113.6
367G36.5Very low41.8Very low75 Ų75139.8 Ų139.877%0.77378%0.776SS**  trans-139.969-178.400000115.9D365D365-G367 PolarHBondContact O-N 3.12Å; D365-G367 VanDerWaalsContact O-N 3.09Å
368M41.1Very low41Very low161 Ų161141.5 Ų141.579%0.79378%0.783SS**  trans-88.5128.1-171.1-175.264.4166.700115.2
369Q35.1Very low40.5Very low176 Ų176139.5 Ų139.582%0.82278%0.778SS**  trans-172.2109.8131.8-106.416734.600115.8
370D35.9Very low40.5Very low124 Ų124137.6 Ų137.666%0.66377%0.773SS**  trans64106.6135.2-59.4-6.2000123.7
371D41.2Very low40.9Very low149 Ų149135.7 Ų135.780%0.79776%0.763SS**  74.977.2120.2-139.8-8000119.5
372R31.7Very low41.6Very low235 Ų235132.6 Ų132.689%0.88774%0.74SS**  trans-138.9129.6144.5-64.3-171.2-176.8156.69.8110.7A374R372-A374 PolarHBondContact O-N 3.34Å
373P38.1Very low42.3Very low120 Ų120128.1 Ų128.178%0.77972%0.719SS**  trans-67.3125.4175.427.1-33.7000110.7A375P373-A375 PolarHBondContact O-N 3.18Å
374A35Very low43.3Very low88 Ų88129.7 Ų129.773%0.72771%0.711SS**  trans-67.1112.8178.400000110.8R372 V376R372-A374 PolarHBondContact O-N 3.34Å; A374-V376 VanDerWaalsContact C-N 3.33Å; A374-V376 HydrophobicContact CB-CG2 4.12Å; A374-V376 PolarHBondContact O-N 3.48Å
375A41.6Very low44.7Very low105 Ų105124 Ų12487%0.86868%0.682SS**  trans-81.180.4174.100000110P373 E377P373-A375 PolarHBondContact O-N 3.18Å; A375-E377 PolarHBondContact O-N 3.12Å
376V38.7Very low46.7Very low115 Ų115122 Ų12270%0.69766%0.664SS**  trans-80102.4-179.9-1740000110.5A374A374-V376 VanDerWaalsContact C-N 3.33Å; A374-V376 HydrophobicContact CB-CG2 4.12Å; A374-V376 PolarHBondContact O-N 3.48Å
377E39Very low47.7Very low167 Ų167124.2 Ų124.278%0.7866%0.663SS**  trans53111.8144.1-59.1179.3151.300119.2A375A375-E377 PolarHBondContact O-N 3.12Å
378S43.5Very low49.2Very low105 Ų105123.9 Ų123.973%0.73465%0.653SS**  trans-132.523.8165.677.80000112.8
379D43.8Very low50.4Low113 Ų113119.6 Ų119.660%0.60464%0.636SS**  trans-96.4-23.5-178.2-85.4-36.5000113.1D381 V382D379-D381 VanDerWaalsContact C-N 3.32Å; D379-D381 PolarHBondContact O-N 3.31Å; D379-V382 PolarHBondContact O-N 3.26Å; D379-V382 VanDerWaalsContact O-N 3.14Å
380D48.4Very low51.2Low126 Ų126114.3 Ų114.367%0.67463%0.629SS**Hα-helixtrans-57.5-37.4-178.1-102.512.1000114V382 E383 Y384D380-V382 PolarHBondContact O-N 3.4Å; D380-V382 VanDerWaalsContact O-N 3.13Å; D380-E383 PolarHBondContact O-N 3.32Å; D380-Y384 WeakPolarHBondContact O-CB 3.31Å; D380-Y384 PolarHBondContact O-N 3.02Å
381D56.3Low52.4Low111 Ų111115.1 Ų115.159%0.59463%0.629SS**Hα-helixtrans-56.6-30.9179.2-85.6-18.7000112.5D379 Y385 F398D379-D381 VanDerWaalsContact C-N 3.32Å; D379-D381 PolarHBondContact O-N 3.31Å; D381-Y385 WeakPolarHBondContact O-CB 3.08Å; D381-Y385 PolarHBondContact O-N 3.15Å; D381-F398 HydrophobicContact CB-CE1 3.77Å; D381-F398 HydrophobicContact CB-CZ 4.36Å
382V59.3Low52.9Low19 Ų19115.9 Ų115.912%0.11563%0.627CS.*Hα-helixtrans-81.4-38.8-178.5-179.60000111.3D379 D380 R386 P393 F398D379-V382 PolarHBondContact O-N 3.26Å; D379-V382 VanDerWaalsContact O-N 3.14Å; D380-V382 PolarHBondContact O-N 3.4Å; D380-V382 VanDerWaalsContact O-N 3.13Å; V382-R386 WeakPolarHBondContact O-CG 3Å; V382-R386 PolarHBondContact O-N 3.16Å; V382-R386 VanDerWaalsContact O-N 3.14Å; V382-P393 HydrophobicContact CG1-CG 4.27Å; V382-F398 HydrophobicContact CG2-CB 4.38Å; V382-F398 HydrophobicContact CG2-CD1 4.05Å; V382-F398 HydrophobicContact CG2-CD2 4.38Å; V382-F398 HydrophobicContact CG2-CE1 4.44Å; V382-F398 HydrophobicContact CG2-CG 4.02Å
383E57.8Low54.1Low102 Ų102105.9 Ų105.948%0.47759%0.593SS.*Hα-helixtrans-69.9-42.6177-65.7-8910300110.7D380 Y385 R386 Q387D380-E383 PolarHBondContact O-N 3.32Å; E383-Y385 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 2.59Å; E383-R386 WeakPolarHBondContact O-CB 3.37Å; E383-R386 PolarHBondContact O-N 3.48Å; E383-R386 IonicContact OE1-CZ 2.56Å; E383-R386 IonicContact OE1-NH1 3.88Å; E383-R386 PolarHBondContact OE1-NH1 3.41Å; E383-Q387 PolarHBondContact O-N 2.97Å
384Y65.9Low55.2Low169 Ų169106.2 Ų106.266%0.66359%0.588SS**Hα-helixtrans-60.3-42.3174-173.5-98.4000112D380 R386 Q387 A388D380-Y384 WeakPolarHBondContact O-CB 3.31Å; D380-Y384 PolarHBondContact O-N 3.02Å; Y384-R386 PolarHBondContact O-N 2.95Å; Y384-Q387 PolarHBondContact O-N 3.06Å; Y384-A388 HydrophobicContact CE1-CB 4.43Å; Y384-A388 VanDerWaalsContact O-CB 3.31Å; Y384-A388 WeakPolarHBondContact O-CB 3.32Å; Y384-A388 PolarHBondContact O-N 2.88Å
385Y68.3Low56.3Low68 Ų68109.2 Ų109.227%0.26759%0.587SS.*Hα-helixtrans-61.9-42.2175.4-167.1-83.6000112.2D381 E383 A388 V389 P393 M397D381-Y385 WeakPolarHBondContact O-CB 3.08Å; D381-Y385 PolarHBondContact O-N 3.15Å; E383-Y385 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 2.59Å; Y385-A388 PolarHBondContact O-N 2.78Å; Y385-V389 HydrophobicContact CD1-CB 4.27Å; Y385-V389 HydrophobicContact CD1-CG2 4.15Å; Y385-V389 HydrophobicContact CD2-CG2 4.12Å; Y385-V389 HydrophobicContact CE1-CB 4.01Å; Y385-V389 HydrophobicContact CE1-CG1 4.29Å; Y385-V389 HydrophobicContact CE1-CG2 4.04Å; Y385-V389 HydrophobicContact CE2-CG2 4.01Å; Y385-V389 HydrophobicContact CG-CG2 4.19Å; Y385-V389 WeakPolarHBondContact O-CB 3.41Å; Y385-V389 WeakPolarHBondContact O-CG2 3.42Å; Y385-V389 PolarHBondContact O-N 2.75Å; Y385-P393 HydrophobicContact CD1-CB 3.74Å; Y385-P393 HydrophobicContact CD1-CG 4.12Å; Y385-P393 HydrophobicContact CE1-CB 3.8Å; Y385-P393 HydrophobicContact CG-CB 4.25Å; Y385-M397 HydrophobicContact CE2-SD 4.05Å
386R75.8Confident57.2Low112 Ų112112 Ų11242%0.42359%0.588SS.*Hα-helixtrans-61-44.8175.7-72.9170.2178.9151.44.8111.8V382 E383 Y384 G390V382-R386 WeakPolarHBondContact O-CG 3Å; V382-R386 PolarHBondContact O-N 3.16Å; V382-R386 VanDerWaalsContact O-N 3.14Å; E383-R386 WeakPolarHBondContact O-CB 3.37Å; E383-R386 PolarHBondContact O-N 3.48Å; E383-R386 IonicContact OE1-CZ 2.56Å; E383-R386 IonicContact OE1-NH1 3.88Å; E383-R386 PolarHBondContact OE1-NH1 3.41Å; Y384-R386 PolarHBondContact O-N 2.95Å; R386-G390 WeakPolarHBondContact O-CA 3.4Å; R386-G390 PolarHBondContact O-N 2.96Å
387Q68.7Low58.2Low169 Ų169111 Ų11179%0.7958%0.576SS**Hα-helixtrans-67.6-42.4178.6-70.7-171.5400112.7E383 Y384E383-Q387 PolarHBondContact O-N 2.97Å; Y384-Q387 PolarHBondContact O-N 3.06Å
388A68.3Low59Low68 Ų68106 Ų10656%0.56255%0.552SS**Hα-helixtrans-78.4-29.1-17500000114.3Y384 Y385Y384-A388 HydrophobicContact CE1-CB 4.43Å; Y384-A388 VanDerWaalsContact O-CB 3.31Å; Y384-A388 WeakPolarHBondContact O-CB 3.32Å; Y384-A388 PolarHBondContact O-N 2.88Å; Y385-A388 PolarHBondContact O-N 2.78Å
389V65.6Low59.4Low70 Ų70107 Ų10742%0.42456%0.556SS.*Hα-helixtrans-119.2-18.7-170.2-160.10000113.2Y385 Q391Y385-V389 HydrophobicContact CD1-CB 4.27Å; Y385-V389 HydrophobicContact CD1-CG2 4.15Å; Y385-V389 HydrophobicContact CD2-CG2 4.12Å; Y385-V389 HydrophobicContact CE1-CB 4.01Å; Y385-V389 HydrophobicContact CE1-CG1 4.29Å; Y385-V389 HydrophobicContact CE1-CG2 4.04Å; Y385-V389 HydrophobicContact CE2-CG2 4.01Å; Y385-V389 HydrophobicContact CG-CG2 4.19Å; Y385-V389 WeakPolarHBondContact O-CB 3.41Å; Y385-V389 WeakPolarHBondContact O-CG2 3.42Å; Y385-V389 PolarHBondContact O-N 2.75Å; V389-Q391 PolarHBondContact O-N 3.05Å
390G52.3Low59.7Low66 Ų66105.1 Ų105.168%0.6856%0.563SS**SBendtrans68.315.8176.500000115.3R386R386-G390 WeakPolarHBondContact O-CA 3.4Å; R386-G390 PolarHBondContact O-N 2.96Å
391Q62.3Low60Low141 Ų141102.4 Ų102.466%0.65956%0.558SS**SBendtrans-130.3154.1177.6-62-175.932.100110V389V389-Q391 PolarHBondContact O-N 3.05Å
392E50Low59.7Low164 Ų164104.7 Ų104.777%0.76656%0.563SS**PPolyproline II helixtrans-71.1133.1169.9-64.2-169.1133.800109.4
393P56.9Low58.9Low26 Ų26113.3 Ų113.317%0.16960%0.599CS.*PPolyproline II helixtrans-70.5142.8179.427-32.9000112.1V382 Y385 F398V382-P393 HydrophobicContact CG1-CG 4.27Å; Y385-P393 HydrophobicContact CD1-CB 3.74Å; Y385-P393 HydrophobicContact CD1-CG 4.12Å; Y385-P393 HydrophobicContact CE1-CB 3.8Å; Y385-P393 HydrophobicContact CG-CB 4.25Å; P393-F398 HydrophobicContact CB-CD2 3.74Å; P393-F398 HydrophobicContact CB-CE2 3.69Å; P393-F398 HydrophobicContact CG-CD2 3.86Å; P393-F398 HydrophobicContact CG-CE2 4Å
394D62.1Low57.9Low127 Ų127120.4 Ų120.468%0.67962%0.621SS**PPolyproline II helixtrans-56.5142.9178.4-86.4-48.8000112.9D396 M397D394-D396 PolarHBondContact O-N 2.83Å; D394-M397 WeakPolarHBondContact O-CB 3.49Å; D394-M397 PolarHBondContact O-N 2.93Å
395E57.8Low56.6Low151 Ų151122.7 Ų122.771%0.70663%0.629SS**THydrogen-bonded Turntrans-59.8-19.5-175.4-68.6-160.9111.300114.8M397 K402E395-M397 VanDerWaalsContact C-N 3.33Å; E395-K402 IonicContact OE1-NZ 2.7Å; E395-K402 PolarHBondContact OE1-NZ 3.1Å
396D60.6Low54.9Low164 Ų164129.7 Ų129.788%0.87766%0.655SS**THydrogen-bonded Turntrans-84.9-6.2178.2-147.637.1000112.6D394D394-D396 PolarHBondContact O-N 2.83Å
397M60.3Low53.8Low94 Ų94129.6 Ų129.646%0.46367%0.668SS.*THydrogen-bonded Turntrans-93.1-29.9-177.7-156.7175.6-57.600113.3Y385 D394 E395Y385-M397 HydrophobicContact CE2-SD 4.05Å; D394-M397 WeakPolarHBondContact O-CB 3.49Å; D394-M397 PolarHBondContact O-N 2.93Å; E395-M397 VanDerWaalsContact C-N 3.33Å
398F55.3Low52.1Low62 Ų62128.8 Ų128.827%0.27266%0.664SS.*  trans-13778-176.7-63.9-79.1000112.8D381 V382 P393 G400D381-F398 HydrophobicContact CB-CE1 3.77Å; D381-F398 HydrophobicContact CB-CZ 4.36Å; V382-F398 HydrophobicContact CG2-CB 4.38Å; V382-F398 HydrophobicContact CG2-CD1 4.05Å; V382-F398 HydrophobicContact CG2-CD2 4.38Å; V382-F398 HydrophobicContact CG2-CE1 4.44Å; V382-F398 HydrophobicContact CG2-CG 4.02Å; P393-F398 HydrophobicContact CB-CD2 3.74Å; P393-F398 HydrophobicContact CB-CE2 3.69Å; P393-F398 HydrophobicContact CG-CD2 3.86Å; P393-F398 HydrophobicContact CG-CE2 4Å; F398-G400 PolarHBondContact O-N 3Å; F398-G400 VanDerWaalsContact O-N 3.07Å
399P52.8Low50.4Low126 Ų126133.3 Ų133.382%0.81867%0.672SS**THydrogen-bonded Turntrans-72.8-0-168.727.9-35.9000116.5
400G48.6Very low49Very low73 Ų73133.9 Ų133.975%0.75368%0.679SS**THydrogen-bonded Turntrans-90.7-28.9-174.700000116.4F398 K402F398-G400 PolarHBondContact O-N 3Å; F398-G400 VanDerWaalsContact O-N 3.07Å; G400-K402 VanDerWaalsContact C-N 3.34Å; G400-K402 PolarHBondContact O-N 2.82Å
401A54.9Low48.1Very low68 Ų68138.7 Ų138.756%0.56268%0.683SS**  trans-80.457.7-157.600000115.9
402K49.8Very low46.9Very low159 Ų159137.5 Ų137.569%0.69168%0.681SS**  trans-134.779.4179.9-75.1-178.1177.6163.80115.3E395 G400E395-K402 IonicContact OE1-NZ 2.7Å; E395-K402 PolarHBondContact OE1-NZ 3.1Å; G400-K402 VanDerWaalsContact C-N 3.34Å; G400-K402 PolarHBondContact O-N 2.82Å
403K42.7Very low46.3Very low201 Ų201140.8 Ų140.887%0.87469%0.687SS**  trans-162.6134.7147.9-115.7161.6-171.6173.50116.4
404R36.4Very low45.3Very low250 Ų250144.4 Ų144.494%0.94372%0.719SS**  trans92.5157.1165-64.3179.7155.6164.1-7.5117.9
405R38.8Very low44.3Very low218 Ų218148.1 Ų148.182%0.82373%0.729SS**  trans-163.9141.3-165.4-128.1-176.6-177.3-1701.8111
406R33Very low43.1Very low215 Ų215150.7 Ų150.781%0.81174%0.738SS**  trans74158.5158.3-68.5-179.4169-169.1-5.1119.1
407P53.7Low41.8Very low109 Ų109153.5 Ų153.571%0.70874%0.736SS**  cis-141.2176.8-29.737.4-19.2000116.9
408E31.3Very low40.6Very low152 Ų152157.1 Ų157.171%0.7175%0.749SS**  trans74.9164169-59.6-150.8111.100116.4
409K33.4Very low39.5Very low164 Ų164162.2 Ų162.271%0.71378%0.778SS**  cis-166.5171.3-4.9-116.1163.2180144.50106.9
410S37Very low38.6Very low82 Ų82161.1 Ų161.157%0.57377%0.773SS**  cis-172.8-179.7-31.149.80000110.2
411H33.2Very low38.5Very low167 Ų167163.6 Ų163.677%0.77378%0.776SS**  trans76.2151.3174.2-62.1-62.7000118.6
412D35.9Very low37.3Very low115 Ų115164.1 Ų164.162%0.61579%0.788SS**  cis-167.7137.3-36.4-126.2-58.7000113.2
413R38.3Very low36.3Very low234 Ų234166.2 Ų166.288%0.88380%0.797SS**  trans61.8162.2155.5-70.5154.2-177.6-135.3-5.9120.4
414A35.4Very low35.5Very low102 Ų102161.9 Ų161.984%0.84379%0.792SS**  cis-140.4-157.17.500000114.7
415K40.7Very low35.1Very low205 Ų205155.1 Ų155.189%0.89178%0.783SS**  trans-141.8157.7-160.9-60175.3175.8176.30118.3
416K32.4Very low34.5Very low205 Ų205153.8 Ų153.889%0.89178%0.784SS**  trans-167.4116141.7-98167.1-175.9178.80109.3
417R33.9Very low34.1Very low223 Ų223152 Ų15284%0.84278%0.784SS**  54133.289.6-76.3-176.666.2155.3-4.1115.4
418K35.7Very low33.3Very low170 Ų170152.1 Ų152.174%0.73979%0.785SS**  cis-172.7143.8-5.4-135-165.4-173.6-163.40111.2
419L32.2Very low33.4Very low169 Ų169152.2 Ų152.289%0.88579%0.791SS**  trans170.6177.9132.7-89.9167.7000112.4
420S33.9Very low33.5Very low102 Ų102149.3 Ų149.371%0.71379%0.791SS**  trans-153.6176.5-150.859.10000112.9
421P45.4Very low33.1Very low126 Ų126154.1 Ų154.182%0.81880%0.801SS**  cis-150.9164.42343-21.5000121.9
422G29.2Very low33.1Very low78 Ų78151.1 Ų151.180%0.80480%0.799SS**  trans107.5143.6152.200000117.3
423K29.9Very low33.5Very low203 Ų203150.9 Ų150.988%0.88380%0.804SS**  cis-165.3127.3-8.6-170.5177.7-173.81770110.8
424S26.6Very low33Very low111 Ų111149.1 Ų149.178%0.77680%0.803SS**  trans142138.6147.166.10000119
425S26.8Very low32.6Very low108 Ų108154.5 Ų154.576%0.75580%0.801SS**  trans78.7121.4152.277.70000124.9
426K25.5Very low32Very low190 Ų190154.4 Ų154.483%0.82680%0.801SS**  trans66.7115.7142.9-69.5-176.7175.6178.30124.9
427Q24.7Very low31.6Very low176 Ų176148.1 Ų148.182%0.82279%0.794SS**  trans69.6171.3138.5-69.6-168-36.800119.7
428P37.5Very low31.2Very low113 Ų113142.5 Ų142.573%0.73480%0.795SS**  -133.4-161.5-54.641.4-25.6000113.9
429D34.8Very low30.6Very low154 Ų154143.7 Ų143.782%0.82481%0.806SS**  trans-85.1164.8-161.6-46.7-96.2000119.9
430S34.9Very low30.4Very low102 Ų102139.1 Ų139.171%0.71380%0.799SS**  trans176.7158.9134.552.10000110
431K27.9Very low30.1Very low183 Ų183143.3 Ų143.380%0.79681%0.807SS**  cis-145.1145.331.2-68.4169.1-177.7172.60109.6
432S32.5Very low29.2Very low105 Ų105146 Ų14673%0.73481%0.809SS**  65137.967.6-35.40000114.2
433P45.2Very low29Very low109 Ų109152.7 Ų152.771%0.70881%0.81SS**  -155.615476.740-20.3000120.2
434K28.1Very low29Very low198 Ų198149.2 Ų149.286%0.86180%0.801SS**  trans67.3162.1154-67.5169.3179.7173.10116.2
435R26.5Very low29.1Very low214 Ų214152.8 Ų152.881%0.80880%0.802SS**  cis-158.8138.310.8-145.3177.8-177.4178.50.6111.1
436K28.2Very low29.1Very low204 Ų204154.2 Ų154.289%0.88781%0.807SS**  trans60.4164.1171.2-57.3-178.6178.8-175.10115.2
437G24.2Very low29.3Very low72 Ų72148.4 Ų148.474%0.74280%0.801SS**  cis165.6145.7-14.700000113.1
438A25.1Very low29.4Very low106 Ų106150.6 Ų150.688%0.87681%0.807SS**  trans73.8167.4172.200000119.8
439M24.7Very low29.1Very low195 Ų195149.7 Ų149.796%0.96181%0.809SS**  trans-18.8159.6174.3-58.3173.2-178.300119.4
440G27Very low29.7Very low72 Ų72147.2 Ų147.274%0.74280%0.802SS**  cis166.3179.24.200000111.5H442G440-H442 PolarHBondContact O-N 2.72Å
441H27.7Very low29.5Very low191 Ų191151.2 Ų151.288%0.88481%0.809SS**  trans-75.9117.8177.6-79.4-86.1000112.5
442H27.1Very low29.6Very low183 Ų183145.4 Ų145.485%0.84780%0.8SS**  178.5125119.9-113.8-83.3000113.4G440G440-H442 PolarHBondContact O-N 2.72Å
443R24.9Very low29.6Very low218 Ų218151.1 Ų151.182%0.82381%0.812SS**  trans-161151153.8-99.1-169.3143.3150.55.1107.6
444D29.9Very low28.8Very low130 Ų130149.6 Ų149.670%0.69582%0.816SS**  cis-141.3170.56.1-116.2-41000113.1
445K28.6Very low28.8Very low186 Ų186150.3 Ų150.381%0.80981%0.813SS**  trans-99.9133.2170.9-94.3-177.4175.6178.10111.2
446T26.3Very low29Very low138 Ų138147.7 Ų147.785%0.84781%0.808SS**  trans39.6116.4142.860.80000121.3
447G28.8Very low29.1Very low68 Ų68147.4 Ų147.470%0.70181%0.807SS**  trans-176.297.9155.600000109.3
448K28.3Very low29.3Very low222 Ų222148.9 Ų148.997%0.96581%0.806SS**  65134.293.5-79.6-168174-175.50114.7
449A29.8Very low29.4Very low94 Ų94152 Ų15278%0.77780%0.799SS**  trans-108.7-154.5-172.700000109.4
450P47.7Very low29.6Very low102 Ų102148.3 Ų148.366%0.66278%0.783SS**  cis-142.8-171.22.628.8-1.2000117.2
451H30.9Very low29.5Very low186 Ų186153.5 Ų153.586%0.86179%0.788SS**  trans71.7148.9167.1-57.9-72.3000119
452G30.4Very low29.7Very low60 Ų60152.9 Ų152.962%0.61979%0.786SS**  cis169164.4-9.800000114.9
453K31.9Very low29.8Very low226 Ų226154.3 Ų154.398%0.98379%0.79SS**  trans70.6143.6-174-46.7170.5-175.9176.30112.7
454G28.8Very low29.9Very low76 Ų76150.1 Ų150.178%0.78479%0.789SS**  cis177.6179.5-3.500000109.3
455W28Very low29.8Very low213 Ų213154 Ų15481%0.80780%0.8SS**  cis-172113.5-14.6-176.866.8000110.7
456K31.4Very low29.8Very low159 Ų159149.1 Ų149.169%0.69180%0.802SS**  trans71.6149.1179.9-52.2162.3176.2165.80114.3
457K29.7Very low29.9Very low199 Ų199149.9 Ų149.987%0.86580%0.801SS**  cis-133.4170.13.1-99.8-176.8175.3174.90107.4
458S28.7Very low30Very low103 Ų103156.6 Ų156.672%0.7281%0.811SS**  cis-168.8-175-12.149.40000110.8
459K27.1Very low30Very low171 Ų171157.5 Ų157.574%0.74381%0.808SS**  trans-18145.9155.5-94.8179.6133-1100117.6
460D27.7Very low30.4Very low117 Ų117164.5 Ų164.563%0.62681%0.814SS**  cis-153.2174.634.9-111.1-45.7000115.3
461E26.3Very low30.1Very low181 Ų181165.3 Ų165.385%0.84682%0.82SS**  trans72.4162.2158.7-74.1-165.8138.400125
462E30.4Very low30.7Very low179 Ų179162.1 Ų162.184%0.83682%0.815SS**  trans39.9110.9178.1-64.7-148.9112.100122.7
463K29.2Very low30.6Very low213 Ų213162.9 Ų162.993%0.92682%0.823SS**PPolyproline II helixtrans-86.4121.2160.6-71.5178.5179.2173.70111.1
464T27.3Very low30.4Very low130 Ų130161.9 Ų161.980%0.79882%0.819SS**PPolyproline II helixtrans-88.4163.8174.641.60000114.1G466T464-G466 PolarHBondContact O-N 3.46Å
465F27.5Very low30.4Very low211 Ų211162.4 Ų162.493%0.92582%0.816SS**PPolyproline II helixtrans-49.1120.5-173-79-110.7000115.9
466G28.9Very low30.3Very low83 Ų83162.5 Ų162.586%0.85682%0.822SS**PPolyproline II helixtrans-85.9121.5163.100000112.2T464T464-G466 PolarHBondContact O-N 3.46Å
467N29.8Very low30.1Very low155 Ų155157.5 Ų157.583%0.82982%0.817SS**  trans-106.1125.2-174.4-171.1-2.9000112
468K30.6Very low30.2Very low208 Ų208153.6 Ų153.690%0.90481%0.814SS**  trans-121.1101.9178.7-88.6-168.9175.2-177.90114.3
469R28Very low30.3Very low242 Ų242157.7 Ų157.791%0.91382%0.819SS**  trans-11.2131.5157.3-60.4175.7178.2-177.4-3.4119
470R38.3Very low30.3Very low240 Ų240159 Ų15991%0.90683%0.825SS**  trans-78.2166.9141.1-76.9179.9169.3-169.9-4.7109.2
471P42.2Very low30.3Very low120 Ų120158.6 Ų158.678%0.77983%0.831SS**  cis-148.6-139.443.245.7-22.4000112.5
472P42.7Very low30.3Very low118 Ų118153.2 Ų153.277%0.76682%0.824SS**  cis-133.2174.5-27.838.5-21.3000116.6
473G27.3Very low30.2Very low76 Ų76152.9 Ų152.978%0.78482%0.823SS**  trans86.8151.1155.500000117.6
474K28.5Very low30.2Very low205 Ų205153 Ų15389%0.89182%0.817SS**  cis-134.5141.8-4.6-79.1177177.71760107.5
475A29.5Very low30.2Very low88 Ų88155.8 Ų155.873%0.72782%0.821SS**  55.9132.176.100000113.9
476F25.9Very low30.1Very low214 Ų214150.9 Ų150.994%0.93981%0.809SS**  cis-159.6170.38.8-131.5-132.3000108.5
477G27.6Very low30Very low55 Ų55155.9 Ų155.957%0.56781%0.807SS**  cis165.7171.1-5.900000114
478S31.8Very low29.8Very low117 Ų117157.7 Ų157.782%0.81881%0.808SS**  trans71.8150.7168.286.90000118.6
479K29.8Very low29.9Very low189 Ų189153.7 Ų153.782%0.82280%0.803SS**  cis-130.3146.4-4.9-62.3175.5-179.5174.10107.9
480K28.1Very low29.9Very low198 Ų198153.7 Ų153.786%0.86180%0.803SS**  53.7138.466.5-86.7-160.5175.1-172.90115.3
481S26.1Very low29.4Very low108 Ų108151.5 Ų151.576%0.75580%0.8SS**  cis-179.6160-1741.70000111.3
482G26.5Very low28.6Very low69 Ų69152.9 Ų152.971%0.71180%0.801SS**  trans101.3125.9174.100000112.4
483E28.4Very low27.8Very low172 Ų172155.9 Ų155.980%0.80480%0.802SS**  cis63.6126.346-62.6-156106.800113.6
484R28.8Very low27.8Very low215 Ų215159 Ų15981%0.81180%0.801SS**  cis121.8108.912.4169.1-160.1-171.5-170.61.9107.1
485E27.1Very low27.7Very low188 Ų188152.4 Ų152.488%0.87979%0.792SS**  trans-164-172.9142.2-123.6-176.6-150.600114.6
486T26.4Very low27.7Very low108 Ų108156.9 Ų156.966%0.66380%0.795SS**  trans-133140.8-169580000111.3
487K27.8Very low27.9Very low188 Ų188155.6 Ų155.682%0.81779%0.789SS**  trans158.9163.4133.4-87.7163.4-173.9175.10113.7
488F24.9Very low27.9Very low193 Ų193160 Ų16085%0.84680%0.8SS**  trans-36.1146176.2-54.8-93.5000118.9
489P32Very low27.9Very low125 Ų125164.1 Ų164.181%0.81280%0.803SS**  trans-97.9148.9151.936.4-30.1000112.4
490R28Very low27.9Very low241 Ų241161.8 Ų161.891%0.90980%0.799SS**  trans-161.2147.9164.7-131.1-177.6-177.3-161.1-1.2111.1
491K28.1Very low28.1Very low195 Ų195162.5 Ų162.585%0.84880%0.802SS**  trans65.8137.9-177.6-68.1-170.5174.4-170.90113.3
492N26.2Very low28.2Very low149 Ų149166.4 Ų166.480%0.79781%0.806SS**  cis-128.3-170.99-72-41.3000109.7
493F24.9Very low28.2Very low180 Ų180171.4 Ų171.479%0.78981%0.808SS**  cis173.5136.9-46.2-160.9-86.5000105.3
494D27.4Very low28.2Very low141 Ų141170.6 Ų170.675%0.75480%0.804SS**  trans63.3165.3177.4-122.4-64.2000121.1
495G27.1Very low28.2Very low68 Ų68165.5 Ų165.570%0.70180%0.798SS**  trans142.125.5166.900000123.6
496K28.8Very low28.4Very low182 Ų182167 Ų16779%0.79180%0.801SS**  trans32.9130.6156.8-77.2170.5-179.7162.40123.8
497K29.8Very low28.5Very low186 Ų186165.1 Ų165.181%0.80980%0.803SS**  trans82.1120.9136.7-72.4-177.4174.9-174.70123.9
498N29.2Very low28.7Very low149 Ų149165.2 Ų165.280%0.79781%0.806SS**  trans23.5130.9136.8-55.811.9000122.6
499K30.5Very low29.1Very low202 Ų202166.3 Ų166.388%0.87881%0.81SS**  -171.9166.996.8-109.3179.6178.9177.10114.6
500D30.5Very low29Very low141 Ų141164 Ų16475%0.75481%0.809SS**  trans-81.8160.3-173.8-42.7-105.2000115.4
501K31.9Very low29.5Very low213 Ų213162.2 Ų162.293%0.92681%0.808SS**  -172.5163.6121-102.2164.3-176.3-177.50114.2
502K28.3Very low30.3Very low190 Ų190159.1 Ų159.183%0.82681%0.807SS**  trans-112.6-175.4179.5-77.5-179.8175.9173.90111.3
503F26.6Very low30.6Very low173 Ų173155.4 Ų155.476%0.75980%0.804SS**  trans87.1122.1174-70.8-101.7000114.4
504Q28.9Very low30.9Very low155 Ų155155.5 Ų155.572%0.72481%0.812SS**  76.4146.158.5-74.2-152.518.400112.7
505T28.9Very low31.2Very low109 Ų109158.6 Ų158.667%0.66982%0.819SS**  cis-162.1159.1-6.516.40000110
506K29.9Very low31.6Very low220 Ų220165 Ų16596%0.95783%0.827SS**  trans162.3152.1153.3-91.4156.8-174179.70108.6
507G28.3Very low31.9Very low67 Ų67166.1 Ų166.169%0.69183%0.832SS**  cis146.666.21.400000112
508H33.6Very low31.9Very low191 Ų191160.9 Ų160.988%0.88483%0.831SS**  80.6119.5101.6-131.374000116.9
509K32.3Very low32.1Very low216 Ų216158.9 Ų158.994%0.93984%0.835SS**  trans157.2142.6161.6-93167-175.8-1770107.9
510G29.5Very low32.1Very low76 Ų76153.3 Ų153.378%0.78484%0.836SS**  cis-174.3159.3-10.200000110.6
511K38.2Very low32.2Very low204 Ų204150.4 Ų150.489%0.88784%0.839SS**  trans-137.5152174.4-77.5-169.6178.9-173.90110.9
512P45Very low32.5Very low129 Ų129150.4 Ų150.484%0.83884%0.839SS**  trans-113.2161.7139.836.2-28.4000111.2
513G32.4Very low33Very low71 Ų71151.2 Ų151.273%0.73285%0.845SS**  cis136.988.3-11.500000113.9
514L31.6Very low33.3Very low182 Ų182146.1 Ų146.195%0.95384%0.842SS**  trans-136.5159.3169.8-135.872.8000111.6
515K34.1Very low33.6Very low207 Ų207148.2 Ų148.290%0.985%0.849SS**  trans-98.5163.5-150.4-70.3-178.7177.4176.90116.7
516K36.3Very low34Very low201 Ų201148.1 Ų148.187%0.87485%0.848SS**  trans-93.3153.3170.1-88.9-178.4170.4-179.20113.3
517K33.2Very low34.3Very low206 Ų206148.9 Ų148.990%0.89685%0.845SS**  trans-127.7157130.4-67-177.2176.7-178.30105.6
518G30.7Very low34.7Very low76 Ų76152 Ų15278%0.78485%0.85SS**  cis103.4120.719.500000109.1
519A33.4Very low35.1Very low107 Ų107152.2 Ų152.288%0.88485%0.849SS**  cis-159.8179.6000000111.5
520G30.5Very low35.4Very low86 Ų86146 Ų14689%0.88785%0.847SS**  trans80.3154.4173.300000115.4
521G33.1Very low36.2Very low80 Ų80152.3 Ų152.383%0.82585%0.852SS**  cis-166.2149.7-9.500000109.9
522K38.8Very low36.5Very low213 Ų213158.2 Ų158.293%0.92687%0.869SS**  trans-88.7129.8178.9-72.1-178.7-178.8175.80111
523Q37.7Very low36.1Very low206 Ų206159.7 Ų159.796%0.96387%0.87SS**  trans-155.5155.2149.1-109.5176.818.800109.9
524G32.8Very low36.3Very low66 Ų66164.3 Ų164.368%0.6888%0.878SS**  trans-174.5136.6170.700000109.1
525F35.2Very low36.6Very low200 Ų200163.3 Ų163.388%0.87787%0.874SS**  trans-145.7147.5175.5-122.4-93.7000112.4
526T37.7Very low36.7Very low106 Ų106160.8 Ų160.865%0.6587%0.872SS**  trans9.3119.8167.352.40000121.2
527R35.8Very low36.7Very low237 Ų237158.3 Ų158.389%0.89487%0.872SS**  trans-56.8128.1144.7-170.9-174.7-168.2-179.34.2111
528T37.9Very low37Very low131 Ų131155.1 Ų155.180%0.80487%0.87SS**  trans-103.6148.3165.336.70000111
529K40.4Very low37.4Very low197 Ų197160.7 Ų160.786%0.85788%0.877SS**  trans-107121.6170.9-75.4-178.7177.1177.90108.7
530G40.2Very low37.7Very low86 Ų86164.8 Ų164.889%0.88788%0.876SS**  trans-75.5128.8162.800000110.5
531K45.1Very low38.3Very low207 Ų207171.4 Ų171.490%0.988%0.875SS**  trans-130.7109.9162.6-126.8-157.5-177.5-164.80107
532R45.5Very low38.8Very low328 Ų328179.7 Ų179.7100%1.23888%0.88SS**  trans-159.70150.3-108.6176-176.4-168.7-0.9107

Retrieved 532 of 532 residues in 189.4 ms (Link to these results)