A0A087XCI0_POEFO Loading...

SLIT-ROBO Rho GTPase-activating protein 1

GTPase-activating protein for RhoA and Cdc42 small GTPases. Together with CDC42 seems to be involved in the pathway mediating the repulsive signaling of Robo and Slit proteins in neuronal migration. SLIT2, probably through interaction with ROBO1, increases the interaction of SRGAP1 with ROBO1 and inactivates CDC42.

AlphaFold DB , UniProt , Accession A0A087XCI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,094 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low60.3Low245 Ų245139.3 Ų139.3100%1.20769%0.689SS**  01300-69.5176.6174.100108.2
2S36.4Very low62.5Low116 Ų116131.8 Ų131.881%0.81165%0.653SS**PPolyproline II helixtrans-72.1149.8174-510000110.4
3T36.8Very low64.5Low128 Ų128123.7 Ų123.779%0.78561%0.613SS**PPolyproline II helixtrans-59.6138167.338.50000109.7R5T3-R5 PolarHBondContact O-N 3.05Å
4P51Low66.2Low125 Ų125118.6 Ų118.681%0.81260%0.6SS**PPolyproline II helixtrans-63.3121.2179.825.2-33000109.4F6P4-F6 PolarHBondContact O-N 3.07Å
5R55.1Low67.9Low199 Ų199116 Ų11675%0.75159%0.589SS**PPolyproline II helixtrans-61.1131.7177.6-72.4-171-177.5179.73.3109.5T3 K7 E11T3-R5 PolarHBondContact O-N 3.05Å; R5-K7 HydrophobicContact CB-CG 4.14Å; R5-K7 PolarHBondContact O-N 3.21Å; R5-E11 IonicContact NH1-OE1 2.66Å
6F67.9Low69.4Low175 Ų175110.4 Ų110.477%0.76856%0.558SS**  trans-73.475.5166.8-170.1-91.9000109.3P4 K8P4-F6 PolarHBondContact O-N 3.07Å; F6-K8 HydrophobicContact CE1-CG 4.37Å
7K72.6Confident70.8Confident83 Ų83109.3 Ų109.336%0.36155%0.551SS.*  trans-66.4140.1174.9-64.2-158.4168.7-174.50109.8R5 E11 I12 D15R5-K7 HydrophobicContact CB-CG 4.14Å; R5-K7 PolarHBondContact O-N 3.21Å; K7-E11 WeakPolarHBondContact CA-OE2 3.4Å; K7-E11 HydrophobicContact CB-CB 4.45Å; K7-E11 HydrophobicContact CD-CG 4.03Å; K7-E11 VanDerWaalsContact CE-OE1 3.28Å; K7-E11 WeakPolarHBondContact CE-OE1 3.49Å; K7-E11 HydrophobicContact CG-CG 4.31Å; K7-I12 HydrophobicContact CB-CD1 3.97Å; K7-I12 HydrophobicContact CB-CG1 3.64Å; K7-I12 HydrophobicContact CD-CG1 3.98Å; K7-I12 HydrophobicContact CG-CG1 4.46Å; K7-D15 IonicContact NZ-OD2 2.8Å; K7-D15 PolarHBondContact NZ-OD2 2.81Å
8K72.4Confident72.2Confident147 Ų147107.5 Ų107.564%0.63955%0.55SS*.  trans-99.2158.9170.4-65.2-179.3-179176.70109.7F6 K10 E11 I12F6-K8 HydrophobicContact CE1-CG 4.37Å; K8-K10 PolarHBondContact O-N 2.73Å; K8-E11 WeakPolarHBondContact O-CB 3.41Å; K8-E11 PolarHBondContact O-N 2.81Å; K8-I12 PolarHBondContact O-N 2.88Å
9D72.9Confident73.4Confident62 Ų62107.8 Ų107.833%0.33255%0.549SS..Hα-helixtrans-41.7-44.6-176.6-50.88.5000113.3E11 I12 I13 H168D9-E11 PolarHBondContact O-N 3.4Å; D9-I12 PolarHBondContact O-N 2.91Å; D9-I13 HydrophobicContact CB-CD1 4.49Å; D9-I13 VanDerWaalsContact O-CB 3.27Å; D9-I13 WeakPolarHBondContact O-CB 3.41Å; D9-I13 WeakPolarHBondContact O-CD1 3.44Å; D9-I13 WeakPolarHBondContact O-CG1 3.09Å; D9-I13 PolarHBondContact O-N 3.27Å; D9-H168 HydrophobicContact CB-CB 4.33Å
10K78.9Confident74.5Confident186 Ų186103.2 Ų103.281%0.80953%0.526SS*.Hα-helixtrans-64.6-33.1179.9-66.9-168.7175.1-1690114.8K8 A14K8-K10 PolarHBondContact O-N 2.73Å; K10-A14 VanDerWaalsContact O-CB 3.24Å; K10-A14 WeakPolarHBondContact O-CB 3.38Å; K10-A14 PolarHBondContact O-N 3.03Å; K10-A14 VanDerWaalsContact O-N 3.13Å
11E84.9Confident75.5Confident66 Ų66105.4 Ų105.431%0.30853%0.532SS..Hα-helixtrans-72.5-48.4177.8-171.9-177.9166.900109.6R5 K7 K8 D9 I13 A14 D15R5-E11 IonicContact NH1-OE1 2.66Å; K7-E11 WeakPolarHBondContact CA-OE2 3.4Å; K7-E11 HydrophobicContact CB-CB 4.45Å; K7-E11 HydrophobicContact CD-CG 4.03Å; K7-E11 VanDerWaalsContact CE-OE1 3.28Å; K7-E11 WeakPolarHBondContact CE-OE1 3.49Å; K7-E11 HydrophobicContact CG-CG 4.31Å; K8-E11 WeakPolarHBondContact O-CB 3.41Å; K8-E11 PolarHBondContact O-N 2.81Å; D9-E11 PolarHBondContact O-N 3.4Å; E11-I13 PolarHBondContact O-N 3.23Å; E11-A14 PolarHBondContact O-N 3.17Å; E11-D15 VanDerWaalsContact O-CG 3.23Å; E11-D15 PolarHBondContact O-N 2.81Å
12I86.6Confident78.5Confident49 Ų4999.2 Ų99.225%0.25150%0.5SS..Hα-helixtrans-63.5-42.3179.8-51.1174.7000111K7 K8 D9 Y16 M164K7-I12 HydrophobicContact CB-CD1 3.97Å; K7-I12 HydrophobicContact CB-CG1 3.64Å; K7-I12 HydrophobicContact CD-CG1 3.98Å; K7-I12 HydrophobicContact CG-CG1 4.46Å; K8-I12 PolarHBondContact O-N 2.88Å; D9-I12 PolarHBondContact O-N 2.91Å; I12-Y16 WeakPolarHBondContact O-CB 3.31Å; I12-Y16 PolarHBondContact O-N 3.01Å; I12-Y16 VanDerWaalsContact O-N 3.11Å; I12-M164 HydrophobicContact CG2-SD 3.79Å
13I88.1Confident81.4Confident27 Ų2794.4 Ų94.414%0.13847%0.465CS..Hα-helixtrans-66-41.9177.4-72.7168.7000111.1D9 E11 Y16 E17 Y161 M164D9-I13 HydrophobicContact CB-CD1 4.49Å; D9-I13 VanDerWaalsContact O-CB 3.27Å; D9-I13 WeakPolarHBondContact O-CB 3.41Å; D9-I13 WeakPolarHBondContact O-CD1 3.44Å; D9-I13 WeakPolarHBondContact O-CG1 3.09Å; D9-I13 PolarHBondContact O-N 3.27Å; E11-I13 PolarHBondContact O-N 3.23Å; I13-Y16 PolarHBondContact O-N 2.98Å; I13-E17 HydrophobicContact CG2-CG 4.23Å; I13-E17 VanDerWaalsContact CG2-OE1 3.26Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.25Å; I13-E17 WeakPolarHBondContact O-CB 3.34Å; I13-E17 VanDerWaalsContact O-CG 3.32Å; I13-E17 WeakPolarHBondContact O-CG 3.22Å; I13-E17 PolarHBondContact O-N 3.27Å; I13-Y161 HydrophobicContact CG2-CE2 3.87Å; I13-M164 HydrophobicContact CG1-CE 4.2Å
14A88.6Confident84.2Confident52 Ų5294.6 Ų94.643%0.4345%0.452SS..Hα-helixtrans-67.4-41178.500000112.8K10 E11 Y16 S18K10-A14 VanDerWaalsContact O-CB 3.24Å; K10-A14 WeakPolarHBondContact O-CB 3.38Å; K10-A14 PolarHBondContact O-N 3.03Å; K10-A14 VanDerWaalsContact O-N 3.13Å; E11-A14 PolarHBondContact O-N 3.17Å; A14-Y16 VanDerWaalsContact C-N 3.3Å; A14-Y16 PolarHBondContact O-N 2.97Å; A14-S18 WeakPolarHBondContact O-CB 3.34Å; A14-S18 PolarHBondContact O-N 3.35Å
15D90.8Very high86.4Confident80 Ų8092.6 Ų92.643%0.42844%0.437SS..Hα-helixtrans-58.1-45.3173.5-66.5-31.2000110.8K7 E11 S18 Q19K7-D15 IonicContact NZ-OD2 2.8Å; K7-D15 PolarHBondContact NZ-OD2 2.81Å; E11-D15 VanDerWaalsContact O-CG 3.23Å; E11-D15 PolarHBondContact O-N 2.81Å; D15-S18 WeakPolarHBondContact O-CB 3.42Å; D15-S18 PolarHBondContact O-N 2.96Å; D15-Q19 PolarHBondContact O-N 3.42Å; D15-Q19 VanDerWaalsContact O-N 3.09Å
16Y93.4Very high88.4Confident27 Ų2786.7 Ų86.711%0.10642%0.418CS..Hα-helixtrans-69-44.8-179.8-175.7-95.8000113I12 I13 A14 S18 Q19 V20 L157 L160 Y161 M164I12-Y16 WeakPolarHBondContact O-CB 3.31Å; I12-Y16 PolarHBondContact O-N 3.01Å; I12-Y16 VanDerWaalsContact O-N 3.11Å; I13-Y16 PolarHBondContact O-N 2.98Å; A14-Y16 VanDerWaalsContact C-N 3.3Å; A14-Y16 PolarHBondContact O-N 2.97Å; Y16-S18 PolarHBondContact O-N 3.04Å; Y16-Q19 PolarHBondContact O-N 2.89Å; Y16-Q19 VanDerWaalsContact O-N 3.13Å; Y16-V20 HydrophobicContact CD1-CG2 4.01Å; Y16-V20 HydrophobicContact CE1-CG2 3.44Å; Y16-V20 VanDerWaalsContact CE1-CG2 3.44Å; Y16-V20 HydrophobicContact CE2-CG2 4.18Å; Y16-V20 WeakPolarHBondContact O-CG2 3.47Å; Y16-V20 PolarHBondContact O-N 3.09Å; Y16-L157 WeakPolarHBondContact OH-CA 3.34Å; Y16-L157 WeakPolarHBondContact OH-CD2 3.04Å; Y16-L157 PolarHBondContact OH-O 2.93Å; Y16-L160 HydrophobicContact CE2-CD2 3.81Å; Y16-L160 HydrophobicContact CE2-CG 4.41Å; Y16-Y161 AromaticContact CD1-CD2 3.97Å; Y16-Y161 HydrophobicContact CD1-CD2 3.97Å; Y16-Y161 HydrophobicContact CE1-CD2 4.18Å; Y16-M164 HydrophobicContact CD1-CE 3.95Å; Y16-M164 HydrophobicContact CG-CE 3.85Å
17E93.1Very high89.7Confident91 Ų9178.6 Ų78.643%0.42538%0.383SS..Hα-helixtrans-59.7-33.7174.6-75.2174.7-176.800111.4I13 K21 Y161I13-E17 HydrophobicContact CG2-CG 4.23Å; I13-E17 VanDerWaalsContact CG2-OE1 3.26Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.25Å; I13-E17 WeakPolarHBondContact O-CB 3.34Å; I13-E17 VanDerWaalsContact O-CG 3.32Å; I13-E17 WeakPolarHBondContact O-CG 3.22Å; I13-E17 PolarHBondContact O-N 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.49Å; E17-K21 PolarHBondContact O-N 3.23Å; E17-K21 VanDerWaalsContact O-N 3.07Å; E17-Y161 HydrophobicContact CG-CD2 4.45Å; E17-Y161 HydrophobicContact CG-CE2 3.77Å; E17-Y161 WeakPolarHBondContact OE1-CE2 3.49Å; E17-Y161 PolarHBondContact OE1-OH 3.42Å
18S95Very high90.8Very high77 Ų7778.6 Ų78.654%0.53839%0.39SS..Hα-helixtrans-66.2-46.3172.2-166.70000112.3A14 D15 Y16 K21 E22A14-S18 WeakPolarHBondContact O-CB 3.34Å; A14-S18 PolarHBondContact O-N 3.35Å; D15-S18 WeakPolarHBondContact O-CB 3.42Å; D15-S18 PolarHBondContact O-N 2.96Å; Y16-S18 PolarHBondContact O-N 3.04Å; S18-K21 WeakPolarHBondContact O-CB 3.39Å; S18-K21 PolarHBondContact O-N 3.45Å; S18-E22 PolarHBondContact O-N 2.94Å
19Q94.7Very high92Very high113 Ų11375.8 Ų75.853%0.52838%0.379SS..Hα-helixtrans-64.1-41.9178.8-169.5179.710.500112.1D15 Y16 K21 E22 I23D15-Q19 PolarHBondContact O-N 3.42Å; D15-Q19 VanDerWaalsContact O-N 3.09Å; Y16-Q19 PolarHBondContact O-N 2.89Å; Y16-Q19 VanDerWaalsContact O-N 3.13Å; Q19-K21 VanDerWaalsContact C-N 3.31Å; Q19-K21 PolarHBondContact O-N 3.11Å; Q19-E22 WeakPolarHBondContact O-CB 3.34Å; Q19-E22 PolarHBondContact O-N 3.04Å; Q19-I23 HydrophobicContact CG-CD1 4.38Å; Q19-I23 WeakPolarHBondContact O-CG1 3.12Å; Q19-I23 PolarHBondContact O-N 3.46Å
20V96.2Very high93.1Very high16 Ų1674.3 Ų74.310%0.09737%0.37CS..Hα-helixtrans-65.2-35175.8173.90000111.7Y16 R24 M154 L157Y16-V20 HydrophobicContact CD1-CG2 4.01Å; Y16-V20 HydrophobicContact CE1-CG2 3.44Å; Y16-V20 VanDerWaalsContact CE1-CG2 3.44Å; Y16-V20 HydrophobicContact CE2-CG2 4.18Å; Y16-V20 WeakPolarHBondContact O-CG2 3.47Å; Y16-V20 PolarHBondContact O-N 3.09Å; V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 PolarHBondContact O-N 2.62Å; V20-M154 HydrophobicContact CG1-CE 3.72Å; V20-L157 HydrophobicContact CG1-CD1 4.43Å; V20-L157 HydrophobicContact CG2-CB 4.24Å; V20-L157 HydrophobicContact CG2-CD1 4.46Å; V20-L157 HydrophobicContact CG2-CD2 4.32Å
21K95.9Very high93.7Very high149 Ų14967.2 Ų67.265%0.64834%0.339SS*.Hα-helixtrans-66.5-39.5173.2-175.5-175.3175.7-171.30112E17 S18 Q19 T25E17-K21 WeakPolarHBondContact O-CB 3.49Å; E17-K21 PolarHBondContact O-N 3.23Å; E17-K21 VanDerWaalsContact O-N 3.07Å; S18-K21 WeakPolarHBondContact O-CB 3.39Å; S18-K21 PolarHBondContact O-N 3.45Å; Q19-K21 VanDerWaalsContact C-N 3.31Å; Q19-K21 PolarHBondContact O-N 3.11Å; K21-T25 PolarHBondContact O-N 3.47Å; K21-T25 PolarHBondContact O-OG1 3.2Å
22E96.4Very high94.2Very high115 Ų11568.9 Ų68.954%0.53735%0.346SS..Hα-helixtrans-62.9-50.8175-169-175.7158.500111.1S18 Q19 R24 T25 Q26S18-E22 PolarHBondContact O-N 2.94Å; Q19-E22 WeakPolarHBondContact O-CB 3.34Å; Q19-E22 PolarHBondContact O-N 3.04Å; E22-R24 PolarHBondContact O-N 2.93Å; E22-T25 WeakPolarHBondContact O-CA 3.28Å; E22-T25 WeakPolarHBondContact O-CB 3.42Å; E22-T25 PolarHBondContact O-N 3.21Å; E22-Q26 PolarHBondContact O-N 3.32Å; E22-Q26 PolarHBondContact OE1-NE2 2.92Å
23I97Very high94.5Very high15 Ų1569.7 Ų69.78%0.07736%0.355CS..Hα-helixtrans-53.1-53.8175.2-67.6165.9000110Q19 T25 Q26 L27 L157Q19-I23 HydrophobicContact CG-CD1 4.38Å; Q19-I23 WeakPolarHBondContact O-CG1 3.12Å; Q19-I23 PolarHBondContact O-N 3.46Å; I23-T25 PolarHBondContact O-N 3.38Å; I23-T25 VanDerWaalsContact O-N 3.11Å; I23-Q26 WeakPolarHBondContact O-CA 3.45Å; I23-Q26 WeakPolarHBondContact O-CB 3.31Å; I23-Q26 PolarHBondContact O-N 3.49Å; I23-L27 HydrophobicContact CG2-CD1 4.27Å; I23-L27 HydrophobicContact CG2-CD2 4.48Å; I23-L27 HydrophobicContact CG2-CG 4.17Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.3Å; I23-L157 HydrophobicContact CD1-CD1 4.17Å; I23-L157 HydrophobicContact CD1-CD2 4.39Å; I23-L157 HydrophobicContact CG2-CD1 4.14Å
24R96.1Very high94.7Very high133 Ų13369 Ų6950%0.50235%0.351SS..Hα-helixtrans-54.5-34.2177.6179.5179.2-70164.6-2.1113.1V20 E22 V28 M154V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 PolarHBondContact O-N 2.62Å; E22-R24 PolarHBondContact O-N 2.93Å; R24-V28 WeakPolarHBondContact O-CG2 3.19Å; R24-V28 PolarHBondContact O-N 2.98Å; R24-M154 HydrophobicContact CB-SD 4.24Å
25T97.1Very high94.8Very high83 Ų8368.9 Ų68.951%0.50934%0.344SS..Hα-helixtrans-70.7-42.7177.6-52.70000110.7K21 E22 I23 V28 E29K21-T25 PolarHBondContact O-N 3.47Å; K21-T25 PolarHBondContact O-OG1 3.2Å; E22-T25 WeakPolarHBondContact O-CA 3.28Å; E22-T25 WeakPolarHBondContact O-CB 3.42Å; E22-T25 PolarHBondContact O-N 3.21Å; I23-T25 PolarHBondContact O-N 3.38Å; I23-T25 VanDerWaalsContact O-N 3.11Å; T25-V28 PolarHBondContact O-N 3.46Å; T25-E29 PolarHBondContact O-N 2.92Å; T25-E29 VanDerWaalsContact O-N 3.14Å
26Q97.3Very high95Very high75 Ų7570.6 Ų70.635%0.3535%0.349SS..Hα-helixtrans-62.6-40.8173.9-62.8177.111.700112.4E22 I23 V28 E29 Q30 Y247E22-Q26 PolarHBondContact O-N 3.32Å; E22-Q26 PolarHBondContact OE1-NE2 2.92Å; I23-Q26 WeakPolarHBondContact O-CA 3.45Å; I23-Q26 WeakPolarHBondContact O-CB 3.31Å; I23-Q26 PolarHBondContact O-N 3.49Å; Q26-V28 VanDerWaalsContact C-N 3.32Å; Q26-V28 PolarHBondContact O-N 2.66Å; Q26-E29 PolarHBondContact O-N 3.49Å; Q26-E29 VanDerWaalsContact O-N 3.15Å; Q26-Q30 VanDerWaalsContact O-CG 3.28Å; Q26-Q30 WeakPolarHBondContact O-CG 3.46Å; Q26-Q30 PolarHBondContact O-N 3.24Å; Q26-Y247 PolarHBondContact OE1-OH 2.84Å
27L96.4Very high94.9Very high5 Ų572.5 Ų72.53%0.02636%0.359CS..Hα-helixtrans-59.5-41.3177.8-63.9-170000112.3I23 Q31 Q150 L153 M154 Y246I23-L27 HydrophobicContact CG2-CD1 4.27Å; I23-L27 HydrophobicContact CG2-CD2 4.48Å; I23-L27 HydrophobicContact CG2-CG 4.17Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.3Å; L27-Q31 PolarHBondContact O-N 3.3Å; L27-Q150 HydrophobicContact CB-CG 4.25Å; L27-Q150 HydrophobicContact CD1-CB 4.05Å; L27-Q150 HydrophobicContact CD1-CG 4.04Å; L27-Q150 HydrophobicContact CD2-CG 4.11Å; L27-Q150 HydrophobicContact CG-CG 4.33Å; L27-Q150 PolarHBondContact O-NE2 2.98Å; L27-L153 HydrophobicContact CD1-CD2 4.34Å; L27-L153 HydrophobicContact CD2-CD2 4.22Å; L27-M154 HydrophobicContact CD1-CG 4.22Å; L27-M154 HydrophobicContact CD1-SD 4.41Å; L27-Y246 HydrophobicContact CD2-CD1 4.3Å; L27-Y246 HydrophobicContact CD2-CE1 3.44Å; L27-Y246 VanDerWaalsContact CD2-CE1 3.44Å
28V95.9Very high94.8Very high83 Ų8368.6 Ų68.650%0.50334%0.341SS..Hα-helixtrans-67.5-39175.3171.90000111.4R24 T25 Q26 Q31 K32R24-V28 WeakPolarHBondContact O-CG2 3.19Å; R24-V28 PolarHBondContact O-N 2.98Å; T25-V28 PolarHBondContact O-N 3.46Å; Q26-V28 VanDerWaalsContact C-N 3.32Å; Q26-V28 PolarHBondContact O-N 2.66Å; V28-Q31 PolarHBondContact O-N 3.27Å; V28-K32 PolarHBondContact O-N 3.49Å
29E96.9Very high94.8Very high87 Ų8771.7 Ų71.741%0.40735%0.347SS..Hα-helixtrans-69-40.6178.6-148.263.7-141.900112.2T25 Q26 Q31 K32 C33T25-E29 PolarHBondContact O-N 2.92Å; T25-E29 VanDerWaalsContact O-N 3.14Å; Q26-E29 PolarHBondContact O-N 3.49Å; Q26-E29 VanDerWaalsContact O-N 3.15Å; E29-Q31 VanDerWaalsContact C-N 3.26Å; E29-Q31 PolarHBondContact O-N 3.44Å; E29-K32 WeakPolarHBondContact O-CB 3.19Å; E29-K32 PolarHBondContact O-N 3.02Å; E29-K32 WeakPolarHBondContact OE1-CD 3.47Å; E29-K32 IonicContact OE1-NZ 3.65Å; E29-K32 PolarHBondContact OE1-NZ 3.12Å; E29-K32 WeakPolarHBondContact OE2-CE 3.49Å; E29-K32 IonicContact OE2-NZ 2.9Å; E29-K32 PolarHBondContact OE2-NZ 3.3Å; E29-C33 PolarHBondContact O-N 3.4Å; E29-C33 PolarHBondContact O-SG 2.95Å; E29-C33 VanDerWaalsContact O-SG 3.33Å
30Q95.4Very high94.8Very high32 Ų3272.3 Ų72.315%0.1535%0.352CS..Hα-helixtrans-54.2-42.4173.7-74.4164.2-7.900111.7Q26 C33 L34 Y246 L251Q26-Q30 VanDerWaalsContact O-CG 3.28Å; Q26-Q30 WeakPolarHBondContact O-CG 3.46Å; Q26-Q30 PolarHBondContact O-N 3.24Å; Q30-C33 PolarHBondContact O-N 2.89Å; Q30-L34 WeakPolarHBondContact O-CG 3.46Å; Q30-L34 PolarHBondContact O-N 3Å; Q30-L34 VanDerWaalsContact O-N 3.16Å; Q30-Y246 PolarHBondContact OE1-OH 3.22Å; Q30-L251 HydrophobicContact CG-CD2 4.49Å
31Q92.3Very high94.7Very high36 Ų3673 Ų7317%0.16835%0.353CS..Hα-helixtrans-65.3-40.3176.8-17359.577.900112.2L27 V28 E29 C33 L34 D35L27-Q31 PolarHBondContact O-N 3.3Å; V28-Q31 PolarHBondContact O-N 3.27Å; E29-Q31 VanDerWaalsContact C-N 3.26Å; E29-Q31 PolarHBondContact O-N 3.44Å; Q31-C33 VanDerWaalsContact C-N 3.34Å; Q31-C33 PolarHBondContact O-N 3.37Å; Q31-L34 PolarHBondContact O-N 2.78Å; Q31-D35 PolarHBondContact NE2-OD1 3.3Å; Q31-D35 WeakPolarHBondContact O-CB 3.26Å; Q31-D35 PolarHBondContact O-N 3.2Å; Q31-D35 VanDerWaalsContact O-OD1 3.07Å
32K94.8Very high94.6Very high101 Ų10167.9 Ų67.944%0.43933%0.334SS..Hα-helixtrans-62.8-40.3174.6-61.2-174.3-146153.60112.2V28 E29 D35 Q36V28-K32 PolarHBondContact O-N 3.49Å; E29-K32 WeakPolarHBondContact O-CB 3.19Å; E29-K32 PolarHBondContact O-N 3.02Å; E29-K32 WeakPolarHBondContact OE1-CD 3.47Å; E29-K32 IonicContact OE1-NZ 3.65Å; E29-K32 PolarHBondContact OE1-NZ 3.12Å; E29-K32 WeakPolarHBondContact OE2-CE 3.49Å; E29-K32 IonicContact OE2-NZ 2.9Å; E29-K32 PolarHBondContact OE2-NZ 3.3Å; K32-D35 WeakPolarHBondContact O-CB 3.41Å; K32-D35 PolarHBondContact O-N 3.32Å; K32-Q36 WeakPolarHBondContact O-CB 3.35Å; K32-Q36 PolarHBondContact O-N 3.44Å
33C94.2Very high94.7Very high66 Ų6667.4 Ų67.445%0.44633%0.332SS..Hα-helixtrans-62.1-44.6179-66.20000111.7E29 Q30 Q31 D35 Q36 Q37E29-C33 PolarHBondContact O-N 3.4Å; E29-C33 PolarHBondContact O-SG 2.95Å; E29-C33 VanDerWaalsContact O-SG 3.33Å; Q30-C33 PolarHBondContact O-N 2.89Å; Q31-C33 VanDerWaalsContact C-N 3.34Å; Q31-C33 PolarHBondContact O-N 3.37Å; C33-D35 VanDerWaalsContact C-N 3.34Å; C33-D35 PolarHBondContact O-N 2.91Å; C33-Q36 PolarHBondContact O-N 3.1Å; C33-Q37 WeakPolarHBondContact O-CB 3.46Å; C33-Q37 PolarHBondContact O-N 3.44Å
34L90.9Very high94.7Very high12 Ų1270.6 Ų70.66%0.06335%0.348CS..Hα-helixtrans-64.5-38.2176.5-66.8172.8000112.4Q30 Q31 T38 L254 I255Q30-L34 WeakPolarHBondContact O-CG 3.46Å; Q30-L34 PolarHBondContact O-N 3Å; Q30-L34 VanDerWaalsContact O-N 3.16Å; Q31-L34 PolarHBondContact O-N 2.78Å; L34-T38 PolarHBondContact O-N 2.86Å; L34-T38 PolarHBondContact O-OG1 3.32Å; L34-L254 HydrophobicContact CD1-CD2 3.99Å; L34-L254 HydrophobicContact CD1-CG 4.43Å; L34-I255 HydrophobicContact CD2-CG1 3.88Å
35D91.9Very high94.8Very high51 Ų5164.3 Ų64.327%0.27332%0.324SS..Hα-helixtrans-62.5-55.4175.4-71.89.7000110.8Q31 K32 C33 Q37 T38 E39 K143Q31-D35 PolarHBondContact NE2-OD1 3.3Å; Q31-D35 WeakPolarHBondContact O-CB 3.26Å; Q31-D35 PolarHBondContact O-N 3.2Å; Q31-D35 VanDerWaalsContact O-OD1 3.07Å; K32-D35 WeakPolarHBondContact O-CB 3.41Å; K32-D35 PolarHBondContact O-N 3.32Å; C33-D35 VanDerWaalsContact C-N 3.34Å; C33-D35 PolarHBondContact O-N 2.91Å; D35-Q37 PolarHBondContact O-N 3.28Å; D35-T38 PolarHBondContact O-N 3.3Å; D35-T38 VanDerWaalsContact O-N 3.16Å; D35-E39 PolarHBondContact O-N 3.01Å; D35-K143 WeakPolarHBondContact OD1-CE 3.21Å; D35-K143 IonicContact OD1-NZ 3.47Å; D35-K143 PolarHBondContact OD1-NZ 3.11Å; D35-K143 IonicContact OD2-NZ 2.61Å; D35-K143 PolarHBondContact OD2-NZ 2.81Å
36Q94.8Very high94.9Very high115 Ų11563.7 Ų63.754%0.53732%0.316SS..Hα-helixtrans-62.4-41.2-179.1-173179.814.400112.3K32 C33 T38 E39 M40K32-Q36 WeakPolarHBondContact O-CB 3.35Å; K32-Q36 PolarHBondContact O-N 3.44Å; C33-Q36 PolarHBondContact O-N 3.1Å; Q36-T38 PolarHBondContact O-N 2.9Å; Q36-E39 PolarHBondContact O-N 3.37Å; Q36-M40 HydrophobicContact CG-SD 4.28Å; Q36-M40 WeakPolarHBondContact O-CB 3.43Å; Q36-M40 VanDerWaalsContact O-CG 3.3Å; Q36-M40 WeakPolarHBondContact O-CG 3.42Å; Q36-M40 PolarHBondContact O-N 3.03Å
37Q91.2Very high94.9Very high68 Ų6864.2 Ų64.232%0.31832%0.321SS..Hα-helixtrans-60.1-35.1176.5179.8-179.4-5.600111.9C33 D35 R41C33-Q37 WeakPolarHBondContact O-CB 3.46Å; C33-Q37 PolarHBondContact O-N 3.44Å; D35-Q37 PolarHBondContact O-N 3.28Å; Q37-R41 VanDerWaalsContact NE2-NH2 3.15Å; Q37-R41 WeakPolarHBondContact O-CD 3.49Å; Q37-R41 WeakPolarHBondContact O-CG 3.44Å; Q37-R41 PolarHBondContact O-N 2.98Å
38T90.5Very high95Very high8 Ų865.6 Ų65.65%0.04933%0.328CS..Hα-helixtrans-79.5-40.8176.8-51.70000111.7L34 D35 Q36 M40 R41 V42 L139L34-T38 PolarHBondContact O-N 2.86Å; L34-T38 PolarHBondContact O-OG1 3.32Å; D35-T38 PolarHBondContact O-N 3.3Å; D35-T38 VanDerWaalsContact O-N 3.16Å; Q36-T38 PolarHBondContact O-N 2.9Å; T38-M40 VanDerWaalsContact C-N 3.32Å; T38-M40 PolarHBondContact O-N 3.29Å; T38-R41 WeakPolarHBondContact O-CB 3.49Å; T38-R41 PolarHBondContact O-N 3.28Å; T38-V42 HydrophobicContact CG2-CG2 4.39Å; T38-V42 PolarHBondContact O-N 2.87Å; T38-L139 HydrophobicContact CG2-CB 3.98Å; T38-L139 HydrophobicContact CG2-CD2 3.88Å; T38-L139 HydrophobicContact CG2-CG 4.4Å
39E93.9Very high95.1Very high142 Ų14262.2 Ų62.266%0.66431%0.307SS*.Hα-helixtrans-56.1-45.9174.7-175173.6-153.400111.2D35 Q36 R41 V42 Q43D35-E39 PolarHBondContact O-N 3.01Å; Q36-E39 PolarHBondContact O-N 3.37Å; E39-R41 VanDerWaalsContact C-N 3.29Å; E39-R41 PolarHBondContact O-N 2.7Å; E39-V42 PolarHBondContact O-N 3Å; E39-Q43 PolarHBondContact O-N 3.22Å
40M95.4Very high95.2Very high127 Ų12761.2 Ų61.263%0.62631%0.305SS*.Hα-helixtrans-61.2-32.8174.6-70.8177.767.700113.5Q36 T38 L44Q36-M40 HydrophobicContact CG-SD 4.28Å; Q36-M40 WeakPolarHBondContact O-CB 3.43Å; Q36-M40 VanDerWaalsContact O-CG 3.3Å; Q36-M40 WeakPolarHBondContact O-CG 3.42Å; Q36-M40 PolarHBondContact O-N 3.03Å; T38-M40 VanDerWaalsContact C-N 3.32Å; T38-M40 PolarHBondContact O-N 3.29Å; M40-L44 WeakPolarHBondContact O-CB 3.49Å; M40-L44 PolarHBondContact O-N 3.4Å
41R93.8Very high95.4Very high31 Ų3165.1 Ų65.112%0.11732%0.321CS..Hα-helixtrans-75.7-39.9175.7-73.6168.5173.4162-9.8112.3Q37 T38 E39 Q43 L44 L45 D259 Y262Q37-R41 VanDerWaalsContact NE2-NH2 3.15Å; Q37-R41 WeakPolarHBondContact O-CD 3.49Å; Q37-R41 WeakPolarHBondContact O-CG 3.44Å; Q37-R41 PolarHBondContact O-N 2.98Å; T38-R41 WeakPolarHBondContact O-CB 3.49Å; T38-R41 PolarHBondContact O-N 3.28Å; E39-R41 VanDerWaalsContact C-N 3.29Å; E39-R41 PolarHBondContact O-N 2.7Å; R41-Q43 VanDerWaalsContact C-N 3.33Å; R41-L44 PolarHBondContact O-N 3.26Å; R41-L45 VanDerWaalsContact O-CG 3.3Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 2.88Å; R41-D259 IonicContact CZ-OD1 3.8Å; R41-D259 VanDerWaalsContact CZ-OD1 3.27Å; R41-D259 IonicContact CZ-OD2 3.71Å; R41-D259 IonicContact NH1-OD1 2.73Å; R41-D259 PolarHBondContact NH1-OD1 3.49Å; R41-D259 IonicContact NH1-OD2 3.86Å; R41-D259 IonicContact NH2-OD1 3.69Å; R41-D259 PolarHBondContact NH2-OD1 3.18Å; R41-D259 VanDerWaalsContact NH2-OD1 3.08Å; R41-D259 IonicContact NH2-OD2 2.9Å; R41-D259 PolarHBondContact NH2-OD2 2.86Å; R41-Y262 HydrophobicContact CB-CE2 4.05Å; R41-Y262 HydrophobicContact CG-CE1 4.33Å; R41-Y262 HydrophobicContact CG-CE2 4.27Å
42V95.1Very high95.7Very high41 Ų4163.7 Ų63.725%0.24831%0.314CS..Hα-helixtrans-63.3-41.5174.2167.40000110.1T38 E39 L45 Q46T38-V42 HydrophobicContact CG2-CG2 4.39Å; T38-V42 PolarHBondContact O-N 2.87Å; E39-V42 PolarHBondContact O-N 3Å; V42-L45 PolarHBondContact O-N 3.11Å; V42-Q46 PolarHBondContact O-N 3.06Å
43Q97.4Very high95.9Very high105 Ų10564.2 Ų64.249%0.49131%0.314SS..Hα-helixtrans-61.7-48.1172.4-172.76155.200111.8E39 R41 L45 Q46 D47E39-Q43 PolarHBondContact O-N 3.22Å; R41-Q43 VanDerWaalsContact C-N 3.33Å; Q43-L45 VanDerWaalsContact C-N 3.27Å; Q43-L45 PolarHBondContact O-N 2.99Å; Q43-Q46 CarbonylContact O-C 3.47Å; Q43-Q46 WeakPolarHBondContact O-CA 3.38Å; Q43-Q46 WeakPolarHBondContact O-CB 3.44Å; Q43-Q46 PolarHBondContact O-N 2.88Å; Q43-D47 PolarHBondContact NE2-OD1 3.35Å; Q43-D47 PolarHBondContact O-N 2.88Å
44L97.8Very high96.1Very high82 Ų8266.5 Ų66.543%0.42932%0.316SS..Hα-helixtrans-58.8-37.2176.3176.862.8000112.6M40 R41 Q46 L48M40-L44 WeakPolarHBondContact O-CB 3.49Å; M40-L44 PolarHBondContact O-N 3.4Å; R41-L44 PolarHBondContact O-N 3.26Å; L44-Q46 VanDerWaalsContact C-N 3.35Å; L44-L48 HydrophobicContact CD1-CD1 4.47Å; L44-L48 HydrophobicContact CG-CD1 4.27Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 WeakPolarHBondContact O-CD1 3.4Å; L44-L48 VanDerWaalsContact O-CG 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.28Å; L44-L48 PolarHBondContact O-N 3.38Å
45L98.1Very high96.4Very high0 Ų067.7 Ų67.70%032%0.321CS..Hα-helixtrans-69-31.9173.4-70.7169.1000112.3R41 V42 Q43 Q49 F128 I131 Y262R41-L45 VanDerWaalsContact O-CG 3.3Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 2.88Å; V42-L45 PolarHBondContact O-N 3.11Å; Q43-L45 VanDerWaalsContact C-N 3.27Å; Q43-L45 PolarHBondContact O-N 2.99Å; L45-Q49 VanDerWaalsContact O-CG 3.24Å; L45-Q49 WeakPolarHBondContact O-CG 3.43Å; L45-Q49 PolarHBondContact O-N 3.07Å; L45-Q49 PolarHBondContact O-NE2 2.81Å; L45-F128 HydrophobicContact CD2-CB 4.24Å; L45-F128 HydrophobicContact CD2-CD1 3.78Å; L45-F128 HydrophobicContact CD2-CG 4.38Å; L45-I131 HydrophobicContact CD1-CB 4.12Å; L45-I131 HydrophobicContact CD1-CG2 3.73Å; L45-I131 HydrophobicContact CD2-CB 4.25Å; L45-I131 HydrophobicContact CD2-CG2 4.1Å; L45-Y262 HydrophobicContact CD1-CE2 4.03Å; L45-Y262 HydrophobicContact CD2-CE2 4.49Å; L45-Y262 HydrophobicContact CG-CE2 4.32Å
46Q98.2Very high96.8Very high71 Ų7165.3 Ų65.333%0.33231%0.308SS..Hα-helixtrans-68.8-49.1172.9-169.958.242.800111V42 Q43 L44 L48 Q49 D50V42-Q46 PolarHBondContact O-N 3.06Å; Q43-Q46 CarbonylContact O-C 3.47Å; Q43-Q46 WeakPolarHBondContact O-CA 3.38Å; Q43-Q46 WeakPolarHBondContact O-CB 3.44Å; Q43-Q46 PolarHBondContact O-N 2.88Å; L44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-L48 PolarHBondContact O-N 2.99Å; Q46-Q49 WeakPolarHBondContact O-CB 3.43Å; Q46-Q49 PolarHBondContact O-N 3.42Å; Q46-D50 PolarHBondContact NE2-OD2 2.88Å; Q46-D50 PolarHBondContact O-N 3.41Å
47D98.6Very high96.9Very high86 Ų8664 Ų6446%0.4630%0.302SS..Hα-helixtrans-56-40.7176.3-58.5-18.5000111.2Q43 F51Q43-D47 PolarHBondContact NE2-OD1 3.35Å; Q43-D47 PolarHBondContact O-N 2.88Å; D47-F51 VanDerWaalsContact O-CB 3.22Å; D47-F51 WeakPolarHBondContact O-CB 3.23Å; D47-F51 PolarHBondContact O-N 3.39Å
48L98.6Very high97.3Very high34 Ų3465.5 Ų65.518%0.17831%0.311CS..Hα-helixtrans-66.5-41.6174.2-77.2168.7000113L44 Q46 F52 F128 L266L44-L48 HydrophobicContact CD1-CD1 4.47Å; L44-L48 HydrophobicContact CG-CD1 4.27Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 WeakPolarHBondContact O-CD1 3.4Å; L44-L48 VanDerWaalsContact O-CG 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.28Å; L44-L48 PolarHBondContact O-N 3.38Å; Q46-L48 PolarHBondContact O-N 2.99Å; L48-F52 WeakPolarHBondContact O-CD2 3.47Å; L48-F52 PolarHBondContact O-N 2.95Å; L48-F128 HydrophobicContact CB-CD2 4.01Å; L48-F128 HydrophobicContact CB-CE2 3.98Å; L48-F128 HydrophobicContact CB-CG 4.36Å; L48-F128 HydrophobicContact CB-CZ 4.31Å; L48-F128 HydrophobicContact CD1-CD1 4.45Å; L48-F128 HydrophobicContact CD1-CE1 4.09Å; L48-F128 HydrophobicContact CD1-CZ 4.23Å; L48-L266 HydrophobicContact CD1-CD1 4.16Å
49Q98.4Very high97.7Very high12 Ų1266 Ų666%0.05631%0.313CS..Hα-helixtrans-61.7-45.9176.4-75.7167.394.500111.2L45 Q46 F52 R53 I125 F128L45-Q49 VanDerWaalsContact O-CG 3.24Å; L45-Q49 WeakPolarHBondContact O-CG 3.43Å; L45-Q49 PolarHBondContact O-N 3.07Å; L45-Q49 PolarHBondContact O-NE2 2.81Å; Q46-Q49 WeakPolarHBondContact O-CB 3.43Å; Q46-Q49 PolarHBondContact O-N 3.42Å; Q49-F52 PolarHBondContact O-N 3.47Å; Q49-R53 WeakPolarHBondContact O-CB 3.49Å; Q49-R53 PolarHBondContact O-N 2.82Å; Q49-I125 HydrophobicContact CB-CG2 4.28Å; Q49-I125 HydrophobicContact CG-CG2 4.1Å; Q49-F128 HydrophobicContact CG-CB 3.52Å; Q49-F128 HydrophobicContact CG-CD2 4.44Å; Q49-F128 HydrophobicContact CG-CG 4.46Å
50D98.6Very high97.9Very high66 Ų6661.9 Ų61.935%0.35329%0.294SS..Hα-helixtrans-77.8-30.1-176.1-64.5-34.6000112.4Q46 R53 K54Q46-D50 PolarHBondContact NE2-OD2 2.88Å; Q46-D50 PolarHBondContact O-N 3.41Å; D50-R53 PolarHBondContact O-N 3.02Å; D50-R53 IonicContact OD1-CZ 3.24Å; D50-R53 IonicContact OD1-NE 2.7Å; D50-R53 PolarHBondContact OD1-NE 2.96Å; D50-R53 IonicContact OD1-NH2 2.87Å; D50-R53 PolarHBondContact OD1-NH2 2.7Å; D50-K54 PolarHBondContact O-N 2.6Å
51F98.8Very high98.1Very high114 Ų11459.5 Ų59.550%0.528%0.282SS..Hα-helixtrans-58-50.7164.5171.4-94.4000111.7D47 R53 K54 K55D47-F51 VanDerWaalsContact O-CB 3.22Å; D47-F51 WeakPolarHBondContact O-CB 3.23Å; D47-F51 PolarHBondContact O-N 3.39Å; F51-R53 PolarHBondContact O-N 3.11Å; F51-K54 PolarHBondContact O-N 3.33Å; F51-K55 HydrophobicContact CE1-CD 4.47Å; F51-K55 HydrophobicContact CZ-CD 4.48Å; F51-K55 PolarHBondContact O-N 2.92Å
52F98.7Very high98.3Very high5 Ų563 Ų632%0.02230%0.295CS..Hα-helixtrans-70.4-30.9-179.3-87.7-71.9000113L48 Q49 K55 A56 Y120 V124 I125 F128 Y273L48-F52 WeakPolarHBondContact O-CD2 3.47Å; L48-F52 PolarHBondContact O-N 2.95Å; Q49-F52 PolarHBondContact O-N 3.47Å; F52-K55 PolarHBondContact O-N 2.85Å; F52-A56 VanDerWaalsContact O-CB 3.31Å; F52-A56 WeakPolarHBondContact O-CB 3.25Å; F52-A56 PolarHBondContact O-N 2.82Å; F52-Y120 AromaticContact CD1-CD1 3.93Å; F52-Y120 HydrophobicContact CD1-CD1 3.93Å; F52-Y120 HydrophobicContact CD1-CD2 4.12Å; F52-Y120 HydrophobicContact CD1-CE1 4.26Å; F52-Y120 HydrophobicContact CD1-CE2 4.42Å; F52-Y120 AromaticContact CD1-CG 3.86Å; F52-Y120 HydrophobicContact CD1-CG 3.86Å; F52-Y120 HydrophobicContact CE1-CD1 4.15Å; F52-Y120 HydrophobicContact CE1-CE1 4.06Å; F52-Y120 HydrophobicContact CE1-CG 4.47Å; F52-V124 HydrophobicContact CD1-CG1 4.1Å; F52-V124 HydrophobicContact CD2-CG1 3.88Å; F52-V124 HydrophobicContact CE1-CG1 4.32Å; F52-V124 HydrophobicContact CE2-CG1 4.08Å; F52-V124 HydrophobicContact CG-CG1 3.89Å; F52-V124 HydrophobicContact CZ-CG1 4.3Å; F52-I125 HydrophobicContact CB-CD1 4.28Å; F52-I125 HydrophobicContact CB-CG1 3.84Å; F52-F128 HydrophobicContact CD2-CD2 4.49Å; F52-F128 AromaticContact CD2-CE2 3.64Å; F52-F128 HydrophobicContact CD2-CE2 3.64Å; F52-F128 HydrophobicContact CD2-CZ 4.48Å; F52-F128 AromaticContact CE2-CE2 3.92Å; F52-F128 HydrophobicContact CE2-CE2 3.92Å; F52-F128 HydrophobicContact CE2-CZ 4.34Å; F52-Y273 AromaticContact CE1-CD2 3.4Å; F52-Y273 HydrophobicContact CE1-CD2 3.4Å; F52-Y273 AromaticContact CE1-CE2 3.88Å; F52-Y273 HydrophobicContact CE1-CE2 3.88Å; F52-Y273 AromaticContact CE1-CG 3.93Å; F52-Y273 HydrophobicContact CE1-CG 3.93Å; F52-Y273 HydrophobicContact CZ-CD1 4.31Å; F52-Y273 AromaticContact CZ-CD2 3.65Å; F52-Y273 HydrophobicContact CZ-CD2 3.65Å; F52-Y273 HydrophobicContact CZ-CE2 4.13Å; F52-Y273 AromaticContact CZ-CG 3.72Å; F52-Y273 HydrophobicContact CZ-CG 3.72Å
53R98.6Very high98.5Very high113 Ų11361.3 Ų61.343%0.42629%0.286SS..Hα-helixtrans-59-49.6169.3-165.1-167.7-51.2-98.90.8109.9Q49 D50 F51 A56 E57 I125Q49-R53 WeakPolarHBondContact O-CB 3.49Å; Q49-R53 PolarHBondContact O-N 2.82Å; D50-R53 PolarHBondContact O-N 3.02Å; D50-R53 IonicContact OD1-CZ 3.24Å; D50-R53 IonicContact OD1-NE 2.7Å; D50-R53 PolarHBondContact OD1-NE 2.96Å; D50-R53 IonicContact OD1-NH2 2.87Å; D50-R53 PolarHBondContact OD1-NH2 2.7Å; F51-R53 PolarHBondContact O-N 3.11Å; R53-A56 WeakPolarHBondContact O-CB 3.35Å; R53-A56 PolarHBondContact O-N 3.45Å; R53-E57 PolarHBondContact O-N 3.43Å; R53-I125 HydrophobicContact CB-CD1 3.91Å
54K98.7Very high98.5Very high113 Ų11361.5 Ų61.549%0.49128%0.282SS..Hα-helixtrans-70.3-34.3-179.3-165.553173.4-1790113.3D50 F51 E57 I58D50-K54 PolarHBondContact O-N 2.6Å; F51-K54 PolarHBondContact O-N 3.33Å; K54-E57 HydrophobicContact CD-CB 4.4Å; K54-E57 WeakPolarHBondContact CD-OE2 3.31Å; K54-E57 WeakPolarHBondContact CE-OE2 3.36Å; K54-E57 IonicContact NZ-OE2 2.59Å; K54-E57 PolarHBondContact NZ-OE2 3.37Å; K54-I58 HydrophobicContact CG-CD1 4.38Å; K54-I58 WeakPolarHBondContact O-CD1 3.33Å; K54-I58 VanDerWaalsContact O-CG1 3.31Å; K54-I58 WeakPolarHBondContact O-CG1 3.32Å; K54-I58 PolarHBondContact O-N 2.81Å
55K98.5Very high98.6Very high38 Ų3860.9 Ų60.917%0.16528%0.279CS..Hα-helixtrans-62.3-45.4170.4-159.2179.8-172.3-71.80110.3F51 F52 E57 I58 E59 Y120 E277F51-K55 HydrophobicContact CE1-CD 4.47Å; F51-K55 HydrophobicContact CZ-CD 4.48Å; F51-K55 PolarHBondContact O-N 2.92Å; F52-K55 PolarHBondContact O-N 2.85Å; K55-E57 PolarHBondContact O-N 3.05Å; K55-I58 WeakPolarHBondContact O-CA 3.45Å; K55-I58 WeakPolarHBondContact O-CB 3.29Å; K55-I58 PolarHBondContact O-N 3.26Å; K55-E59 HydrophobicContact CG-CG 4.47Å; K55-E59 IonicContact NZ-OE1 2.58Å; K55-E59 PolarHBondContact NZ-OE1 3.28Å; K55-E59 WeakPolarHBondContact O-CG 3.47Å; K55-E59 PolarHBondContact O-N 3.31Å; K55-Y120 HydrophobicContact CB-CD2 4.22Å; K55-Y120 HydrophobicContact CB-CE2 4.06Å; K55-Y120 HydrophobicContact CD-CD2 4.49Å; K55-Y120 HydrophobicContact CD-CE2 3.58Å; K55-Y120 HydrophobicContact CG-CD2 4.38Å; K55-Y120 HydrophobicContact CG-CE2 3.72Å; K55-Y120 PolarHBondContact NZ-OH 3.38Å; K55-E277 IonicContact NZ-OE1 2.91Å; K55-E277 PolarHBondContact NZ-OE1 3.26Å
56A98.6Very high98.6Very high1 Ų161.8 Ų61.81%0.00828%0.284CS..Hα-helixtrans-58.7-42178.500000113.3F52 R53 I58 E59 M60 S117 Y120 L121F52-A56 VanDerWaalsContact O-CB 3.31Å; F52-A56 WeakPolarHBondContact O-CB 3.25Å; F52-A56 PolarHBondContact O-N 2.82Å; R53-A56 WeakPolarHBondContact O-CB 3.35Å; R53-A56 PolarHBondContact O-N 3.45Å; A56-I58 VanDerWaalsContact C-N 3.32Å; A56-I58 PolarHBondContact O-N 3.31Å; A56-E59 PolarHBondContact O-N 3.42Å; A56-M60 WeakPolarHBondContact O-CB 3.36Å; A56-M60 PolarHBondContact O-N 3.19Å; A56-S117 VanDerWaalsContact C-OG 3.31Å; A56-S117 WeakPolarHBondContact CB-OG 3.41Å; A56-S117 WeakPolarHBondContact O-CB 3.41Å; A56-S117 PolarHBondContact O-OG 3.42Å; A56-Y120 HydrophobicContact CB-CD2 4.1Å; A56-L121 HydrophobicContact CB-CD1 4.39Å; A56-L121 HydrophobicContact CB-CD2 3.84Å; A56-L121 HydrophobicContact CB-CG 3.79Å
57E98.6Very high98.6Very high88 Ų8860.2 Ų60.241%0.41128%0.276SS..Hα-helixtrans-58.4-43.3172.4-69.9168.1-141.300112.1R53 K54 K55 M60 E61R53-E57 PolarHBondContact O-N 3.43Å; K54-E57 HydrophobicContact CD-CB 4.4Å; K54-E57 WeakPolarHBondContact CD-OE2 3.31Å; K54-E57 WeakPolarHBondContact CE-OE2 3.36Å; K54-E57 IonicContact NZ-OE2 2.59Å; K54-E57 PolarHBondContact NZ-OE2 3.37Å; K55-E57 PolarHBondContact O-N 3.05Å; E57-M60 PolarHBondContact O-N 2.84Å; E57-E61 PolarHBondContact O-N 3.15Å
58I98.8Very high98.5Very high99 Ų9961.7 Ų61.751%0.50828%0.279SS..Hα-helixtrans-67.2-45.7179.6-66.8164.3000110.9K54 K55 A56 M60 E61 Y62K54-I58 HydrophobicContact CG-CD1 4.38Å; K54-I58 WeakPolarHBondContact O-CD1 3.33Å; K54-I58 VanDerWaalsContact O-CG1 3.31Å; K54-I58 WeakPolarHBondContact O-CG1 3.32Å; K54-I58 PolarHBondContact O-N 2.81Å; K55-I58 WeakPolarHBondContact O-CA 3.45Å; K55-I58 WeakPolarHBondContact O-CB 3.29Å; K55-I58 PolarHBondContact O-N 3.26Å; A56-I58 VanDerWaalsContact C-N 3.32Å; A56-I58 PolarHBondContact O-N 3.31Å; I58-M60 VanDerWaalsContact C-N 3.29Å; I58-M60 PolarHBondContact O-N 3.22Å; I58-E61 PolarHBondContact O-N 3.15Å; I58-Y62 WeakPolarHBondContact O-CB 3.39Å; I58-Y62 PolarHBondContact O-N 2.99Å
59E98.5Very high98.4Very high19 Ų1964 Ų649%0.08929%0.291CS..Hα-helixtrans-59.7-40175.6-58.8-48153.900111.6K55 A56 Y62 S63 H113 L116 Y120K55-E59 HydrophobicContact CG-CG 4.47Å; K55-E59 IonicContact NZ-OE1 2.58Å; K55-E59 PolarHBondContact NZ-OE1 3.28Å; K55-E59 WeakPolarHBondContact O-CG 3.47Å; K55-E59 PolarHBondContact O-N 3.31Å; A56-E59 PolarHBondContact O-N 3.42Å; E59-Y62 PolarHBondContact O-N 3.12Å; E59-S63 WeakPolarHBondContact O-CB 3.45Å; E59-S63 PolarHBondContact O-N 3.02Å; E59-H113 IonicContact OE2-CE1 3.02Å; E59-H113 PolarHBondContact OE2-CE1 3.21Å; E59-H113 IonicContact OE2-CG 2.82Å; E59-H113 IonicContact OE2-ND1 2.74Å; E59-H113 PolarHBondContact OE2-ND1 2.98Å; E59-L116 HydrophobicContact CG-CD2 4.18Å; E59-L116 HydrophobicContact CG-CG 4.34Å; E59-Y120 HydrophobicContact CG-CD2 4.43Å; E59-Y120 HydrophobicContact CG-CE2 3.85Å
60M98.6Very high98.3Very high55 Ų5563.4 Ų63.427%0.27129%0.288SS..Hα-helixtrans-74.2-30.3-179.6-172.657.473.500113A56 E57 I58 R64 A114A56-M60 WeakPolarHBondContact O-CB 3.36Å; A56-M60 PolarHBondContact O-N 3.19Å; E57-M60 PolarHBondContact O-N 2.84Å; I58-M60 VanDerWaalsContact C-N 3.29Å; I58-M60 PolarHBondContact O-N 3.22Å; M60-R64 WeakPolarHBondContact O-CB 3.37Å; M60-R64 WeakPolarHBondContact O-CG 3.48Å; M60-R64 PolarHBondContact O-N 3.28Å; M60-R64 VanDerWaalsContact O-N 3.17Å; M60-R64 PolarHBondContact O-NE 3.49Å; M60-A114 HydrophobicContact CE-CB 4.23Å; M60-A114 HydrophobicContact SD-CB 4.46Å
61E98.6Very high97.9Very high77 Ų7764.6 Ų64.636%0.3629%0.291SS..Hα-helixtrans-73.2-41.6170.1-171.560.2-124.400111.4E57 I58 R64 N65E57-E61 PolarHBondContact O-N 3.15Å; I58-E61 PolarHBondContact O-N 3.15Å; E61-R64 VanDerWaalsContact CA-NH2 3.31Å; E61-R64 PolarHBondContact O-N 3.24Å; E61-R64 IonicContact OE1-NH1 2.7Å; E61-R64 IonicContact OE2-CZ 2.67Å; E61-R64 IonicContact OE2-NH1 3.64Å; E61-R64 PolarHBondContact OE2-NH1 3.31Å; E61-R64 IonicContact OE2-NH2 2.65Å; E61-R64 PolarHBondContact OE2-NH2 3.26Å; E61-N65 PolarHBondContact O-N 3.25Å; E61-N65 PolarHBondContact O-ND2 3.4Å; E61-N65 PolarHBondContact OE1-ND2 2.66Å
62Y98.8Very high97.6Very high103 Ų10367.5 Ų67.540%0.40430%0.299SS..Hα-helixtrans-61.1-49.1174.3-175.6-119.2000111.2I58 E59 R64 N65 L66 H113I58-Y62 WeakPolarHBondContact O-CB 3.39Å; I58-Y62 PolarHBondContact O-N 2.99Å; E59-Y62 PolarHBondContact O-N 3.12Å; Y62-R64 PolarHBondContact O-N 3.49Å; Y62-N65 PolarHBondContact O-N 2.96Å; Y62-N65 VanDerWaalsContact O-N 3.12Å; Y62-L66 HydrophobicContact CD1-CD1 4.01Å; Y62-L66 HydrophobicContact CD1-CG 4.47Å; Y62-L66 HydrophobicContact CE1-CD1 3.54Å; Y62-L66 HydrophobicContact CE1-CG 4.17Å; Y62-L66 HydrophobicContact CE2-CD1 4.44Å; Y62-L66 HydrophobicContact CE2-CD2 4.09Å; Y62-L66 HydrophobicContact CE2-CG 4.21Å; Y62-L66 WeakPolarHBondContact O-CG 3.47Å; Y62-L66 PolarHBondContact O-N 2.75Å; Y62-H113 HydrophobicContact CD1-CB 4.39Å; Y62-H113 AromaticContact CD1-CD2 3.88Å; Y62-H113 AromaticContact CD1-CE1 3.82Å; Y62-H113 AromaticContact CD1-CG 3.77Å; Y62-H113 AromaticContact CD1-ND1 3.73Å; Y62-H113 AromaticContact CD1-NE2 3.93Å; Y62-H113 AromaticContact CE1-CD2 3.76Å; Y62-H113 AromaticContact CE1-CE1 3.82Å; Y62-H113 AromaticContact CE1-NE2 3.57Å
63S98.7Very high97.1Very high7 Ų770.5 Ų70.55%0.04931%0.312CS..Hα-helixtrans-51-52.3173.5169.10000113E59 N65 L66 E67 S110 A114E59-S63 WeakPolarHBondContact O-CB 3.45Å; E59-S63 PolarHBondContact O-N 3.02Å; S63-N65 VanDerWaalsContact C-N 3.29Å; S63-N65 PolarHBondContact O-N 3.34Å; S63-L66 PolarHBondContact O-N 3.37Å; S63-E67 PolarHBondContact O-N 2.76Å; S63-S110 VanDerWaalsContact CB-O 3.26Å; S63-S110 WeakPolarHBondContact CB-O 3.47Å; S63-S110 PolarHBondContact O-OG 3.21Å; S63-S110 PolarHBondContact OG-O 3.27Å; S63-S110 PolarHBondContact OG-OG 3.3Å; S63-A114 WeakPolarHBondContact OG-CB 3.46Å
64R98.6Very high96.5Very high108 Ų10865.7 Ų65.741%0.40830%0.295SS..Hα-helixtrans-62.3-34.5179.4-79.9179.2-71.8124.43.4112.4M60 E61 Y62 K68M60-R64 WeakPolarHBondContact O-CB 3.37Å; M60-R64 WeakPolarHBondContact O-CG 3.48Å; M60-R64 PolarHBondContact O-N 3.28Å; M60-R64 VanDerWaalsContact O-N 3.17Å; M60-R64 PolarHBondContact O-NE 3.49Å; E61-R64 VanDerWaalsContact CA-NH2 3.31Å; E61-R64 PolarHBondContact O-N 3.24Å; E61-R64 IonicContact OE1-NH1 2.7Å; E61-R64 IonicContact OE2-CZ 2.67Å; E61-R64 IonicContact OE2-NH1 3.64Å; E61-R64 PolarHBondContact OE2-NH1 3.31Å; E61-R64 IonicContact OE2-NH2 2.65Å; E61-R64 PolarHBondContact OE2-NH2 3.26Å; Y62-R64 PolarHBondContact O-N 3.49Å; R64-K68 WeakPolarHBondContact O-CB 3.47Å; R64-K68 WeakPolarHBondContact O-CG 3.36Å; R64-K68 PolarHBondContact O-N 2.89Å; R64-K68 VanDerWaalsContact O-N 3.08Å
65N98.6Very high95.5Very high70 Ų7063 Ų6337%0.37429%0.294SS..Hα-helixtrans-77.7-30.4177.8-67.4-45.6000113E61 Y62 S63 K68 L69E61-N65 PolarHBondContact O-N 3.25Å; E61-N65 PolarHBondContact O-ND2 3.4Å; E61-N65 PolarHBondContact OE1-ND2 2.66Å; Y62-N65 PolarHBondContact O-N 2.96Å; Y62-N65 VanDerWaalsContact O-N 3.12Å; S63-N65 VanDerWaalsContact C-N 3.29Å; S63-N65 PolarHBondContact O-N 3.34Å; N65-K68 PolarHBondContact OD1-NZ 3.34Å; N65-L69 VanDerWaalsContact O-CB 3.32Å; N65-L69 WeakPolarHBondContact O-CB 3.27Å; N65-L69 PolarHBondContact O-N 2.95Å
66L98.5Very high94.2Very high18 Ų1867.7 Ų67.79%0.09431%0.314CS..Hα-helixtrans-65.4-44.4168.1-67.8-177.6000112.1Y62 S63 L69 A70 V106 E109Y62-L66 HydrophobicContact CD1-CD1 4.01Å; Y62-L66 HydrophobicContact CD1-CG 4.47Å; Y62-L66 HydrophobicContact CE1-CD1 3.54Å; Y62-L66 HydrophobicContact CE1-CG 4.17Å; Y62-L66 HydrophobicContact CE2-CD1 4.44Å; Y62-L66 HydrophobicContact CE2-CD2 4.09Å; Y62-L66 HydrophobicContact CE2-CG 4.21Å; Y62-L66 WeakPolarHBondContact O-CG 3.47Å; Y62-L66 PolarHBondContact O-N 2.75Å; S63-L66 PolarHBondContact O-N 3.37Å; L66-L69 WeakPolarHBondContact O-CB 3.36Å; L66-L69 PolarHBondContact O-N 3.37Å; L66-A70 PolarHBondContact O-N 3.01Å; L66-V106 HydrophobicContact CB-CG1 4.02Å; L66-V106 HydrophobicContact CD2-CG1 4.12Å; L66-V106 VanDerWaalsContact O-CG1 3.3Å; L66-V106 WeakPolarHBondContact O-CG1 3.26Å; L66-E109 HydrophobicContact CD1-CB 3.81Å
67E97.6Very high92.6Very high38 Ų3869.9 Ų69.918%0.17833%0.328CS..Hα-helixtrans-65.5-45.7178.2-163.372.4130.500110.8S63 L69 A70 E71 R107 S110S63-E67 PolarHBondContact O-N 2.76Å; E67-L69 VanDerWaalsContact C-N 3.27Å; E67-L69 PolarHBondContact O-N 3.23Å; E67-A70 PolarHBondContact O-N 2.9Å; E67-E71 HydrophobicContact CG-CG 4.19Å; E67-E71 WeakPolarHBondContact O-CB 3.49Å; E67-E71 WeakPolarHBondContact O-CG 3.48Å; E67-E71 PolarHBondContact O-N 2.91Å; E67-R107 IonicContact OE1-CZ 3.2Å; E67-R107 IonicContact OE1-NE 3.08Å; E67-R107 PolarHBondContact OE1-NE 3.48Å; E67-R107 IonicContact OE1-NH2 2.69Å; E67-R107 PolarHBondContact OE1-NH2 3.22Å; E67-R107 WeakPolarHBondContact OE2-CG 3.43Å; E67-R107 IonicContact OE2-CZ 3.5Å; E67-R107 IonicContact OE2-NE 2.68Å; E67-R107 PolarHBondContact OE2-NE 2.94Å; E67-R107 IonicContact OE2-NH2 3.33Å; E67-R107 PolarHBondContact OE2-NH2 3.21Å; E67-S110 WeakPolarHBondContact CB-OG 3.16Å
68K97.3Very high90.5Very high117 Ų11771.3 Ų71.351%0.50933%0.329SS..Hα-helixtrans-54.1-42.5172.8-72.7169.9-163.1166.20112.2R64 N65 R72R64-K68 WeakPolarHBondContact O-CB 3.47Å; R64-K68 WeakPolarHBondContact O-CG 3.36Å; R64-K68 PolarHBondContact O-N 2.89Å; R64-K68 VanDerWaalsContact O-N 3.08Å; N65-K68 PolarHBondContact OD1-NZ 3.34Å; K68-R72 VanDerWaalsContact O-CB 3.25Å; K68-R72 WeakPolarHBondContact O-CB 3.1Å; K68-R72 PolarHBondContact O-N 2.73Å
69L97.3Very high88.1Confident82 Ų8271.7 Ų71.743%0.42934%0.341SS..Hα-helixtrans-62.1-51.3177.2174.362.9000111N65 L66 E67 R72 F73 V106N65-L69 VanDerWaalsContact O-CB 3.32Å; N65-L69 WeakPolarHBondContact O-CB 3.27Å; N65-L69 PolarHBondContact O-N 2.95Å; L66-L69 WeakPolarHBondContact O-CB 3.36Å; L66-L69 PolarHBondContact O-N 3.37Å; E67-L69 VanDerWaalsContact C-N 3.27Å; E67-L69 PolarHBondContact O-N 3.23Å; L69-R72 PolarHBondContact O-N 3.5Å; L69-F73 HydrophobicContact CD1-CD2 4.09Å; L69-F73 HydrophobicContact CD1-CE2 3.79Å; L69-F73 WeakPolarHBondContact O-CD2 3.33Å; L69-F73 PolarHBondContact O-N 3.2Å; L69-V106 HydrophobicContact CD2-CG1 4.2Å; L69-V106 HydrophobicContact CG-CG1 4.45Å
70A94.6Very high85.9Confident0 Ų074.1 Ų74.10%036%0.357CS..Hα-helixtrans-62.9-44.2-18000000111.4L66 E67 F73 M74 V106 R107L66-A70 PolarHBondContact O-N 3.01Å; E67-A70 PolarHBondContact O-N 2.9Å; A70-F73 PolarHBondContact O-N 3.47Å; A70-M74 HydrophobicContact CB-CE 3.52Å; A70-M74 WeakPolarHBondContact O-CB 3.36Å; A70-M74 WeakPolarHBondContact O-CE 3.41Å; A70-M74 PolarHBondContact O-N 2.74Å; A70-V106 HydrophobicContact CB-CB 4.19Å; A70-V106 HydrophobicContact CB-CG1 3.9Å; A70-R107 HydrophobicContact CB-CG 3.79Å
71E91.8Very high83.4Confident91 Ų9181 Ų8143%0.42539%0.386SS..Hα-helixtrans-67.5-39.2-179.7-69-162.2146.200113E67 F73 M74 A75 R107E67-E71 HydrophobicContact CG-CG 4.19Å; E67-E71 WeakPolarHBondContact O-CB 3.49Å; E67-E71 WeakPolarHBondContact O-CG 3.48Å; E67-E71 PolarHBondContact O-N 2.91Å; E71-F73 PolarHBondContact O-N 3.13Å; E71-M74 HydrophobicContact CG-CE 4.04Å; E71-M74 PolarHBondContact O-N 3.09Å; E71-A75 WeakPolarHBondContact O-CB 3.34Å; E71-A75 PolarHBondContact O-N 3.46Å; E71-R107 IonicContact OE1-CZ 3.54Å; E71-R107 IonicContact OE1-NH1 3.27Å; E71-R107 PolarHBondContact OE1-NH1 3.22Å; E71-R107 IonicContact OE1-NH2 3.08Å; E71-R107 PolarHBondContact OE1-NH2 2.9Å
72R92Very high81Confident175 Ų17581.9 Ų81.966%0.6639%0.392SS*.Hα-helixtrans-56.1-36174.6-171.8-179.2-168.5-163.45112.7K68 L69 K76K68-R72 VanDerWaalsContact O-CB 3.25Å; K68-R72 WeakPolarHBondContact O-CB 3.1Å; K68-R72 PolarHBondContact O-N 2.73Å; L69-R72 PolarHBondContact O-N 3.5Å; R72-K76 WeakPolarHBondContact O-CG 3.4Å
73F88.6Confident78.6Confident69 Ų6978 Ų7830%0.30338%0.378SS..Hα-helixtrans-86.4-42.8177.2-75.2-70.5000112.8L69 A70 E71 A75 K76 T77 W99 L103L69-F73 HydrophobicContact CD1-CD2 4.09Å; L69-F73 HydrophobicContact CD1-CE2 3.79Å; L69-F73 WeakPolarHBondContact O-CD2 3.33Å; L69-F73 PolarHBondContact O-N 3.2Å; A70-F73 PolarHBondContact O-N 3.47Å; E71-F73 PolarHBondContact O-N 3.13Å; F73-A75 VanDerWaalsContact C-N 3.29Å; F73-A75 PolarHBondContact O-N 2.94Å; F73-K76 PolarHBondContact O-N 2.88Å; F73-T77 PolarHBondContact O-N 3.42Å; F73-T77 VanDerWaalsContact O-N 3.13Å; F73-T77 PolarHBondContact O-OG1 2.82Å; F73-W99 HydrophobicContact CB-CH2 4.44Å; F73-W99 HydrophobicContact CB-CZ2 3.89Å; F73-W99 AromaticContact CD1-CH2 3.96Å; F73-W99 HydrophobicContact CD1-CH2 3.96Å; F73-W99 AromaticContact CD1-CZ2 3.69Å; F73-W99 HydrophobicContact CD1-CZ2 3.69Å; F73-W99 HydrophobicContact CD2-CH2 4.37Å; F73-W99 HydrophobicContact CE1-CH2 4.29Å; F73-W99 HydrophobicContact CE1-CZ2 4.38Å; F73-W99 HydrophobicContact CG-CH2 4Å; F73-W99 AromaticContact CG-CZ2 3.82Å; F73-W99 HydrophobicContact CG-CZ2 3.82Å; F73-L103 HydrophobicContact CB-CD1 3.92Å; F73-L103 HydrophobicContact CB-CD2 3.71Å; F73-L103 HydrophobicContact CD2-CD2 4.45Å; F73-L103 HydrophobicContact CG-CD2 4.36Å
74M84.5Confident76.1Confident11 Ų1185 Ų855%0.05441%0.41CS..Hα-helixtrans-60.3-34.8174.4-82.9179.9-78.200113.5A70 E71 T77 R78 L103 R107A70-M74 HydrophobicContact CB-CE 3.52Å; A70-M74 WeakPolarHBondContact O-CB 3.36Å; A70-M74 WeakPolarHBondContact O-CE 3.41Å; A70-M74 PolarHBondContact O-N 2.74Å; E71-M74 HydrophobicContact CG-CE 4.04Å; E71-M74 PolarHBondContact O-N 3.09Å; M74-T77 PolarHBondContact O-N 3.15Å; M74-R78 WeakPolarHBondContact O-CB 3.32Å; M74-R78 WeakPolarHBondContact O-CD 3.34Å; M74-R78 WeakPolarHBondContact O-CG 3.5Å; M74-R78 PolarHBondContact O-N 2.99Å; M74-R78 PolarHBondContact SD-NH2 3.2Å; M74-R78 VanDerWaalsContact SD-NH2 3.4Å; M74-L103 HydrophobicContact CG-CD1 4.34Å; M74-R107 VanDerWaalsContact CE-CD 3.47Å; M74-R107 HydrophobicContact CE-CG 3.62Å; M74-R107 HydrophobicContact SD-CG 4.41Å; M74-R107 PolarHBondContact SD-NH1 3.01Å
75A77.6Confident73.8Confident57 Ų5785.5 Ų85.547%0.47142%0.417SS..Hα-helixtrans-66.2-44.9178.600000111.1E71 F73 T77 R78 S79E71-A75 WeakPolarHBondContact O-CB 3.34Å; E71-A75 PolarHBondContact O-N 3.46Å; F73-A75 VanDerWaalsContact C-N 3.29Å; F73-A75 PolarHBondContact O-N 2.94Å; A75-T77 VanDerWaalsContact C-N 3.33Å; A75-T77 PolarHBondContact O-N 3.24Å; A75-R78 WeakPolarHBondContact O-CB 3.15Å; A75-R78 PolarHBondContact O-N 3.34Å; A75-S79 PolarHBondContact O-N 3.43Å; A75-S79 VanDerWaalsContact O-N 3.12Å
76K73.1Confident71.3Confident136 Ų13686.6 Ų86.659%0.59142%0.416SS*.Hα-helixtrans-56-47.3172.5-70.7-178.6173.7-162.50111.5R72 F73 R78 S79R72-K76 WeakPolarHBondContact O-CG 3.4Å; F73-K76 PolarHBondContact O-N 2.88Å; K76-R78 PolarHBondContact O-N 3.21Å; K76-S79 PolarHBondContact O-N 2.92Å
77T63.9Low68.9Low48 Ų4891.7 Ų91.729%0.29444%0.438SS..Hα-helixtrans-68.8-15.7177.7-45.80000113.6F73 M74 A75 H83F73-T77 PolarHBondContact O-N 3.42Å; F73-T77 VanDerWaalsContact O-N 3.13Å; F73-T77 PolarHBondContact O-OG1 2.82Å; M74-T77 PolarHBondContact O-N 3.15Å; A75-T77 VanDerWaalsContact C-N 3.33Å; A75-T77 PolarHBondContact O-N 3.24Å; T77-H83 WeakPolarHBondContact O-CB 3.25Å; T77-H83 VanDerWaalsContact O-CG 3.28Å; T77-H83 PolarHBondContact O-ND1 3.22Å
78R55.1Low66.4Low117 Ų11797.8 Ų97.844%0.44246%0.464SS..Hα-helixtrans-89.8-19.3175.2-75164.8-160.7-157.29.4114M74 A75 K76 H83M74-R78 WeakPolarHBondContact O-CB 3.32Å; M74-R78 WeakPolarHBondContact O-CD 3.34Å; M74-R78 WeakPolarHBondContact O-CG 3.5Å; M74-R78 PolarHBondContact O-N 2.99Å; M74-R78 PolarHBondContact SD-NH2 3.2Å; M74-R78 VanDerWaalsContact SD-NH2 3.4Å; A75-R78 WeakPolarHBondContact O-CB 3.15Å; A75-R78 PolarHBondContact O-N 3.34Å; K76-R78 PolarHBondContact O-N 3.21Å; R78-H83 WeakPolarHBondContact CG-NE2 3.42Å
79S48.5Very low64Low107 Ų10795 Ų9575%0.74845%0.454SS*.Hα-helixtrans-80.3-17.9-175.3-164.60000113.5A75 K76A75-S79 PolarHBondContact O-N 3.43Å; A75-S79 VanDerWaalsContact O-N 3.12Å; K76-S79 PolarHBondContact O-N 2.92Å
80T51.2Low62Low70 Ų70100 Ų10043%0.42948%0.476SS..SBendtrans-81.9142.3172.356.50000110.5D82 H83T80-D82 WeakPolarHBondContact CB-OD2 3.38Å; T80-D82 PolarHBondContact O-N 3.33Å; T80-D82 VanDerWaalsContact O-N 3.09Å; T80-H83 PolarHBondContact O-N 3.29Å; T80-H83 VanDerWaalsContact O-N 3.11Å
81K45.6Very low60.5Low201 Ų201105 Ų10587%0.87450%0.502SS*.THydrogen-bonded Turntrans-58.2-27.4-176.9-74.1175.9178.2168.50112.3H83K81-H83 PolarHBondContact O-N 3.49Å; K81-H83 VanDerWaalsContact O-N 3.17Å
82D48.9Very low59.8Low94 Ų94102 Ų10250%0.50349%0.489SS..THydrogen-bonded Turntrans-63.1-17.8179.4-39.8-68.6000113.8T80 Q84 Q85 Y86T80-D82 WeakPolarHBondContact CB-OD2 3.38Å; T80-D82 PolarHBondContact O-N 3.33Å; T80-D82 VanDerWaalsContact O-N 3.09Å; D82-Q84 PolarHBondContact O-N 2.79Å; D82-Q85 WeakPolarHBondContact O-CA 2.99Å; D82-Q85 WeakPolarHBondContact O-CB 3.26Å; D82-Q85 PolarHBondContact O-N 2.6Å; D82-Y86 HydrophobicContact CB-CD2 4.02Å; D82-Y86 HydrophobicContact CB-CE2 3.75Å; D82-Y86 VanDerWaalsContact O-CD2 3.31Å; D82-Y86 WeakPolarHBondContact O-CD2 3.48Å; D82-Y86 PolarHBondContact O-N 3.19Å
83H47.8Very low59.7Low22 Ų2296.1 Ų96.110%0.10247%0.47CS..Hα-helixtrans-61.9-21.1-175.5-161.977.5000114T77 R78 T80 K81 Q85 Y86 K87T77-H83 WeakPolarHBondContact O-CB 3.25Å; T77-H83 VanDerWaalsContact O-CG 3.28Å; T77-H83 PolarHBondContact O-ND1 3.22Å; R78-H83 WeakPolarHBondContact CG-NE2 3.42Å; T80-H83 PolarHBondContact O-N 3.29Å; T80-H83 VanDerWaalsContact O-N 3.11Å; K81-H83 PolarHBondContact O-N 3.49Å; K81-H83 VanDerWaalsContact O-N 3.17Å; H83-Q85 VanDerWaalsContact C-N 3.27Å; H83-Y86 PolarHBondContact O-N 3.09Å; H83-K87 WeakPolarHBondContact NE2-CD 3.29Å; H83-K87 WeakPolarHBondContact NE2-CE 3.38Å; H83-K87 PolarHBondContact NE2-NZ 3.4Å; H83-K87 PolarHBondContact O-N 3.11Å
84Q46.7Very low59.9Low153 Ų15393.5 Ų93.572%0.71546%0.461SS*.Hα-helixtrans-71.3-23.2172.2-60-161.617.400113.1D82D82-Q84 PolarHBondContact O-N 2.79Å
85Q49.5Very low60.4Low119 Ų11996.6 Ų96.656%0.55648%0.482SS*.Hα-helixtrans-74.4-53.6168.5-14975.534.100109.8D82 H83 K87 K88 D89D82-Q85 WeakPolarHBondContact O-CA 2.99Å; D82-Q85 WeakPolarHBondContact O-CB 3.26Å; D82-Q85 PolarHBondContact O-N 2.6Å; H83-Q85 VanDerWaalsContact C-N 3.27Å; Q85-K87 PolarHBondContact O-N 3.42Å; Q85-K87 VanDerWaalsContact O-N 3.07Å; Q85-K88 PolarHBondContact O-N 2.89Å; Q85-D89 PolarHBondContact NE2-OD2 3.44Å; Q85-D89 PolarHBondContact O-N 2.93Å; Q85-D89 VanDerWaalsContact O-N 3.08Å
86Y48Very low61Low93 Ų9396.1 Ų96.137%0.36547%0.473SS..Hα-helixtrans-56.8-27.8-177.2-76.8-77.7000114.7D82 H83 L92 V96D82-Y86 HydrophobicContact CB-CD2 4.02Å; D82-Y86 HydrophobicContact CB-CE2 3.75Å; D82-Y86 VanDerWaalsContact O-CD2 3.31Å; D82-Y86 WeakPolarHBondContact O-CD2 3.48Å; D82-Y86 PolarHBondContact O-N 3.19Å; H83-Y86 PolarHBondContact O-N 3.09Å; Y86-L92 HydrophobicContact CD1-CD1 4.43Å; Y86-L92 HydrophobicContact CD1-CD2 3.47Å; Y86-L92 VanDerWaalsContact CD1-CD2 3.47Å; Y86-L92 HydrophobicContact CE1-CD2 4Å; Y86-L92 HydrophobicContact CG-CD2 4.37Å; Y86-V96 HydrophobicContact CD1-CG1 4.37Å; Y86-V96 HydrophobicContact CE1-CG1 3.76Å
87K46.9Very low61.8Low125 Ų12592.3 Ų92.354%0.54346%0.459SS..THydrogen-bonded Turntrans-88.8-4.8177.4-91.8-179.1173.1164.50115.7H83 Q85H83-K87 WeakPolarHBondContact NE2-CD 3.29Å; H83-K87 WeakPolarHBondContact NE2-CE 3.38Å; H83-K87 PolarHBondContact NE2-NZ 3.4Å; H83-K87 PolarHBondContact O-N 3.11Å; Q85-K87 PolarHBondContact O-N 3.42Å; Q85-K87 VanDerWaalsContact O-N 3.07Å
88K46.1Very low63.3Low167 Ų16790.8 Ų90.873%0.72645%0.45SS*.THydrogen-bonded Turntrans-118.7-32.7-176.8-77.2179.7176.8170.40113.8Q85Q85-K88 PolarHBondContact O-N 2.89Å
89D46.7Very low65.1Low57 Ų5790.1 Ų90.131%0.30545%0.448SS..  trans-97135.7-168.4-71.2-7.1000113.5Q85 N91Q85-D89 PolarHBondContact NE2-OD2 3.44Å; Q85-D89 PolarHBondContact O-N 2.93Å; Q85-D89 VanDerWaalsContact O-N 3.08Å; D89-N91 HydrophobicContact CB-CB 4.13Å; D89-N91 PolarHBondContact O-N 3.15Å; D89-N91 VanDerWaalsContact O-N 3.12Å
90Q55.6Low67.1Low188 Ų18889.9 Ų89.988%0.87943%0.431SS*.SBendtrans-71.76.4166.8-64.6179.8-28.900112.8R306Q90-R306 PolarHBondContact O-NH1 3.33Å
91N62.7Low69.1Low104 Ų10488.3 Ų88.356%0.55642%0.42SS*.  trans-102.217.9-163.6-58.9-25000113.6D89D89-N91 HydrophobicContact CB-CB 4.13Å; D89-N91 PolarHBondContact O-N 3.15Å; D89-N91 VanDerWaalsContact O-N 3.12Å
92L77.5Confident71.6Confident28 Ų2882.6 Ų82.615%0.14740%0.398CS..  trans-56.8149177.9-52.3-164.6000111.2Y86 N97 R306Y86-L92 HydrophobicContact CD1-CD1 4.43Å; Y86-L92 HydrophobicContact CD1-CD2 3.47Å; Y86-L92 VanDerWaalsContact CD1-CD2 3.47Å; Y86-L92 HydrophobicContact CE1-CD2 4Å; Y86-L92 HydrophobicContact CG-CD2 4.37Å; L92-N97 HydrophobicContact CB-CB 4.44Å; L92-R306 PolarHBondContact O-NH1 2.93Å
93L89.3Confident73.7Confident52 Ų5278.6 Ų78.627%0.27238%0.377SS..  trans-69.5142.4167.2-58.3178.2000109.3V96 N97 D303 R306L93-V96 HydrophobicContact CB-CG2 4.27Å; L93-V96 WeakPolarHBondContact O-CB 3.36Å; L93-V96 PolarHBondContact O-N 3.36Å; L93-N97 PolarHBondContact O-N 3.47Å; L93-N97 VanDerWaalsContact O-N 3.09Å; L93-D303 VanDerWaalsContact CA-OD1 3.31Å; L93-D303 WeakPolarHBondContact CA-OD1 3.45Å; L93-D303 HydrophobicContact CD2-CB 3.97Å; L93-R306 HydrophobicContact CD2-CB 4Å
94S93.4Very high75.9Confident15 Ų1580 Ų8011%0.10539%0.385CS..Hα-helixtrans-56.9-40.5-168.466.60000114.8V96 N97 C98 L298 D299 D303S94-V96 VanDerWaalsContact C-N 3.3Å; S94-V96 PolarHBondContact O-N 3.03Å; S94-N97 WeakPolarHBondContact O-CB 3.32Å; S94-N97 PolarHBondContact O-N 3.2Å; S94-C98 PolarHBondContact O-N 2.92Å; S94-C98 VanDerWaalsContact O-N 3.11Å; S94-C98 PolarHBondContact O-SG 2.89Å; S94-L298 WeakPolarHBondContact OG-CA 3.29Å; S94-L298 WeakPolarHBondContact OG-CD2 3.42Å; S94-D299 PolarHBondContact OG-N 2.86Å; S94-D303 WeakPolarHBondContact CB-OD2 3.24Å; S94-D303 VanDerWaalsContact N-CG 3.3Å; S94-D303 PolarHBondContact N-OD1 2.97Å; S94-D303 PolarHBondContact N-OD2 3.44Å; S94-D303 PolarHBondContact OG-OD2 2.96Å
95P94.4Very high78.3Confident76 Ų7673.1 Ų73.149%0.49435%0.353SS..Hα-helixtrans-67.2-29.8175.9-18.532.4000113.4C98 W99 L298 D303P95-C98 PolarHBondContact O-N 3.39Å; P95-W99 PolarHBondContact O-N 3.5Å; P95-L298 HydrophobicContact CB-CD2 4.37Å; P95-L298 HydrophobicContact CG-CD2 4.04Å; P95-D303 VanDerWaalsContact CD-OD2 3.31Å; P95-D303 WeakPolarHBondContact CD-OD2 3.29Å
96V89.8Confident80.6Confident46 Ų4668.8 Ų68.828%0.27934%0.335SS..Hα-helixtrans-74.8-31.3178.5-1710000110.6Y86 L93 S94 Y100Y86-V96 HydrophobicContact CD1-CG1 4.37Å; Y86-V96 HydrophobicContact CE1-CG1 3.76Å; L93-V96 HydrophobicContact CB-CG2 4.27Å; L93-V96 WeakPolarHBondContact O-CB 3.36Å; L93-V96 PolarHBondContact O-N 3.36Å; S94-V96 VanDerWaalsContact C-N 3.3Å; S94-V96 PolarHBondContact O-N 3.03Å; V96-Y100 WeakPolarHBondContact O-CB 3.22Å; V96-Y100 PolarHBondContact O-N 3.44Å
97N90.4Very high83Confident56 Ų5666.5 Ų66.530%0.29933%0.326SS..Hα-helixtrans-64.6-47.2169.2-175.862000111.5L92 L93 S94 W99 Y100 L101L92-N97 HydrophobicContact CB-CB 4.44Å; L93-N97 PolarHBondContact O-N 3.47Å; L93-N97 VanDerWaalsContact O-N 3.09Å; S94-N97 WeakPolarHBondContact O-CB 3.32Å; S94-N97 PolarHBondContact O-N 3.2Å; N97-W99 VanDerWaalsContact C-N 3.34Å; N97-W99 PolarHBondContact O-N 3.27Å; N97-Y100 PolarHBondContact O-N 3.44Å; N97-L101 WeakPolarHBondContact O-CG 3.41Å; N97-L101 PolarHBondContact O-N 3.36Å
98C94.7Very high85.4Confident17 Ų1763.8 Ų63.812%0.11531%0.312CS..Hα-helixtrans-56.3-46.5174.1-58.90000111.8S94 P95 Y100 L101 L102 A294S94-C98 PolarHBondContact O-N 2.92Å; S94-C98 VanDerWaalsContact O-N 3.11Å; S94-C98 PolarHBondContact O-SG 2.89Å; P95-C98 PolarHBondContact O-N 3.39Å; C98-Y100 PolarHBondContact O-N 3.21Å; C98-L101 PolarHBondContact O-N 3.21Å; C98-L102 WeakPolarHBondContact O-CB 3.41Å; C98-L102 PolarHBondContact O-N 3.07Å; C98-A294 PolarHBondContact SG-O 3.36Å
99W93.4Very high87.8Confident102 Ų10257 Ų5739%0.38628%0.283SS..Hα-helixtrans-60.4-43.7176.4174.4-114.9000112.9F73 P95 N97 L102 L103F73-W99 HydrophobicContact CB-CH2 4.44Å; F73-W99 HydrophobicContact CB-CZ2 3.89Å; F73-W99 AromaticContact CD1-CH2 3.96Å; F73-W99 HydrophobicContact CD1-CH2 3.96Å; F73-W99 AromaticContact CD1-CZ2 3.69Å; F73-W99 HydrophobicContact CD1-CZ2 3.69Å; F73-W99 HydrophobicContact CD2-CH2 4.37Å; F73-W99 HydrophobicContact CE1-CH2 4.29Å; F73-W99 HydrophobicContact CE1-CZ2 4.38Å; F73-W99 HydrophobicContact CG-CH2 4Å; F73-W99 AromaticContact CG-CZ2 3.82Å; F73-W99 HydrophobicContact CG-CZ2 3.82Å; P95-W99 PolarHBondContact O-N 3.5Å; N97-W99 VanDerWaalsContact C-N 3.34Å; N97-W99 PolarHBondContact O-N 3.27Å; W99-L102 HydrophobicContact CE3-CD2 4.18Å; W99-L102 HydrophobicContact CZ3-CD2 4.24Å; W99-L102 PolarHBondContact O-N 2.73Å; W99-L103 HydrophobicContact CD2-CD1 4.42Å; W99-L103 HydrophobicContact CD2-CG 4.42Å; W99-L103 HydrophobicContact CH2-CD2 4.08Å; W99-L103 HydrophobicContact CH2-CG 4.5Å; W99-L103 HydrophobicContact CZ2-CD1 3.9Å; W99-L103 HydrophobicContact CZ2-CD2 4.04Å; W99-L103 HydrophobicContact CZ2-CG 4.16Å; W99-L103 WeakPolarHBondContact O-CG 3.31Å; W99-L103 PolarHBondContact O-N 3.42Å; W99-L103 VanDerWaalsContact O-N 3.09Å
100Y90.4Very high90.3Very high102 Ų10254.5 Ų54.540%0.427%0.269SS..Hα-helixtrans-65-41.6177.5-178.4-116.2000112.1V96 N97 C98 L103 N104V96-Y100 WeakPolarHBondContact O-CB 3.22Å; V96-Y100 PolarHBondContact O-N 3.44Å; N97-Y100 PolarHBondContact O-N 3.44Å; C98-Y100 PolarHBondContact O-N 3.21Å; Y100-L103 PolarHBondContact O-N 2.9Å; Y100-N104 VanDerWaalsContact CD1-ND2 3.34Å; Y100-N104 WeakPolarHBondContact CD1-ND2 3.24Å; Y100-N104 WeakPolarHBondContact CE1-ND2 3.46Å; Y100-N104 VanDerWaalsContact CZ-ND2 3.31Å; Y100-N104 PolarHBondContact O-N 3.41Å; Y100-N104 PolarHBondContact O-ND2 3.03Å
101L94Very high92.4Very high38 Ų3851 Ų5120%0.19925%0.251CS..Hα-helixtrans-66.8-39.2177.1-68.6170.6000112N97 C98 L103 N104 Q105 I290 I291 A294N97-L101 WeakPolarHBondContact O-CG 3.41Å; N97-L101 PolarHBondContact O-N 3.36Å; C98-L101 PolarHBondContact O-N 3.21Å; L101-L103 PolarHBondContact O-N 3.42Å; L101-N104 PolarHBondContact O-N 3.27Å; L101-Q105 PolarHBondContact O-N 2.89Å; L101-I290 HydrophobicContact CD1-CG2 4.22Å; L101-I290 HydrophobicContact CD2-CG2 3.86Å; L101-I290 HydrophobicContact CG-CG2 4.48Å; L101-I291 HydrophobicContact CB-CG1 4.29Å; L101-A294 HydrophobicContact CD1-CB 3.51Å
102L96.4Very high94.1Very high80 Ų8047.9 Ų47.942%0.41924%0.235SC..Hα-helixtrans-58.1-47.7172.3-177.664.9000112C98 W99 N104 Q105 V106 I291C98-L102 WeakPolarHBondContact O-CB 3.41Å; C98-L102 PolarHBondContact O-N 3.07Å; W99-L102 HydrophobicContact CE3-CD2 4.18Å; W99-L102 HydrophobicContact CZ3-CD2 4.24Å; W99-L102 PolarHBondContact O-N 2.73Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 3.32Å; L102-Q105 PolarHBondContact O-N 3.25Å; L102-V106 PolarHBondContact O-N 3.22Å; L102-V106 VanDerWaalsContact O-N 3.14Å; L102-I291 HydrophobicContact CD1-CD1 4.09Å
103L94.3Very high95.1Very high10 Ų1047.2 Ų47.25%0.05223%0.231CC..Hα-helixtrans-63.8-35.7176-68.8180000112.7F73 M74 W99 Y100 L101 Q105 V106 R107F73-L103 HydrophobicContact CB-CD1 3.92Å; F73-L103 HydrophobicContact CB-CD2 3.71Å; F73-L103 HydrophobicContact CD2-CD2 4.45Å; F73-L103 HydrophobicContact CG-CD2 4.36Å; M74-L103 HydrophobicContact CG-CD1 4.34Å; W99-L103 HydrophobicContact CD2-CD1 4.42Å; W99-L103 HydrophobicContact CD2-CG 4.42Å; W99-L103 HydrophobicContact CH2-CD2 4.08Å; W99-L103 HydrophobicContact CH2-CG 4.5Å; W99-L103 HydrophobicContact CZ2-CD1 3.9Å; W99-L103 HydrophobicContact CZ2-CD2 4.04Å; W99-L103 HydrophobicContact CZ2-CG 4.16Å; W99-L103 WeakPolarHBondContact O-CG 3.31Å; W99-L103 PolarHBondContact O-N 3.42Å; W99-L103 VanDerWaalsContact O-N 3.09Å; Y100-L103 PolarHBondContact O-N 2.9Å; L101-L103 PolarHBondContact O-N 3.42Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-V106 PolarHBondContact O-N 3.09Å; L103-R107 PolarHBondContact O-N 3.04Å
104N93.4Very high95.5Very high52 Ų5245.7 Ų45.728%0.27823%0.226SC..Hα-helixtrans-68.3-32.7174.7-73-49.6000112.5Y100 L101 L102 R107 R108Y100-N104 VanDerWaalsContact CD1-ND2 3.34Å; Y100-N104 WeakPolarHBondContact CD1-ND2 3.24Å; Y100-N104 WeakPolarHBondContact CE1-ND2 3.46Å; Y100-N104 VanDerWaalsContact CZ-ND2 3.31Å; Y100-N104 PolarHBondContact O-N 3.41Å; Y100-N104 PolarHBondContact O-ND2 3.03Å; L101-N104 PolarHBondContact O-N 3.27Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 3.32Å; N104-R107 PolarHBondContact O-N 3.23Å; N104-R108 PolarHBondContact O-N 3.45Å
105Q97.4Very high95.8Very high9 Ų948.5 Ų48.54%0.04224%0.242CC..Hα-helixtrans-68.2-40.9174.3178.255.210.900111.8L101 L102 L103 R107 R108 E109 I291L101-Q105 PolarHBondContact O-N 2.89Å; L102-Q105 PolarHBondContact O-N 3.25Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; Q105-R107 VanDerWaalsContact C-N 3.28Å; Q105-R107 PolarHBondContact O-N 3.33Å; Q105-R108 WeakPolarHBondContact O-CA 3.43Å; Q105-R108 WeakPolarHBondContact O-CB 3.35Å; Q105-R108 PolarHBondContact O-N 3.14Å; Q105-R108 VanDerWaalsContact OE1-NE 3.15Å; Q105-E109 PolarHBondContact NE2-OE1 3.48Å; Q105-E109 VanDerWaalsContact NE2-OE1 3.13Å; Q105-E109 PolarHBondContact O-N 2.88Å; Q105-I291 HydrophobicContact CB-CD1 3.77Å; Q105-I291 HydrophobicContact CG-CD1 4.13Å
106V98.1Very high96Very high28 Ų2845 Ų4517%0.1722%0.22CC..Hα-helixtrans-59.3-39.2173.1179.70000111.4L66 L69 A70 L102 L103 R108 S110L66-V106 HydrophobicContact CB-CG1 4.02Å; L66-V106 HydrophobicContact CD2-CG1 4.12Å; L66-V106 VanDerWaalsContact O-CG1 3.3Å; L66-V106 WeakPolarHBondContact O-CG1 3.26Å; L69-V106 HydrophobicContact CD2-CG1 4.2Å; L69-V106 HydrophobicContact CG-CG1 4.45Å; A70-V106 HydrophobicContact CB-CB 4.19Å; A70-V106 HydrophobicContact CB-CG1 3.9Å; L102-V106 PolarHBondContact O-N 3.22Å; L102-V106 VanDerWaalsContact O-N 3.14Å; L103-V106 PolarHBondContact O-N 3.09Å; V106-R108 VanDerWaalsContact C-N 3.35Å; V106-S110 WeakPolarHBondContact O-CB 3.27Å; V106-S110 PolarHBondContact O-N 3.37Å
107R97.1Very high96.4Very high45 Ų4543 Ų4317%0.1721%0.207CC..Hα-helixtrans-65.3-33.4171.2-66.1-15189.6130.2-4.7113.6E67 A70 E71 M74 L103 N104 Q105 K111E67-R107 IonicContact OE1-CZ 3.2Å; E67-R107 IonicContact OE1-NE 3.08Å; E67-R107 PolarHBondContact OE1-NE 3.48Å; E67-R107 IonicContact OE1-NH2 2.69Å; E67-R107 PolarHBondContact OE1-NH2 3.22Å; E67-R107 WeakPolarHBondContact OE2-CG 3.43Å; E67-R107 IonicContact OE2-CZ 3.5Å; E67-R107 IonicContact OE2-NE 2.68Å; E67-R107 PolarHBondContact OE2-NE 2.94Å; E67-R107 IonicContact OE2-NH2 3.33Å; E67-R107 PolarHBondContact OE2-NH2 3.21Å; A70-R107 HydrophobicContact CB-CG 3.79Å; E71-R107 IonicContact OE1-CZ 3.54Å; E71-R107 IonicContact OE1-NH1 3.27Å; E71-R107 PolarHBondContact OE1-NH1 3.22Å; E71-R107 IonicContact OE1-NH2 3.08Å; E71-R107 PolarHBondContact OE1-NH2 2.9Å; M74-R107 VanDerWaalsContact CE-CD 3.47Å; M74-R107 HydrophobicContact CE-CG 3.62Å; M74-R107 HydrophobicContact SD-CG 4.41Å; M74-R107 PolarHBondContact SD-NH1 3.01Å; L103-R107 PolarHBondContact O-N 3.04Å; N104-R107 PolarHBondContact O-N 3.23Å; Q105-R107 VanDerWaalsContact C-N 3.28Å; Q105-R107 PolarHBondContact O-N 3.33Å; R107-K111 WeakPolarHBondContact O-CG 3.29Å; R107-K111 PolarHBondContact O-N 2.84Å
108R97.4Very high96.8Very high67 Ų6744 Ų4425%0.25321%0.213SC..Hα-helixtrans-67.3-55.8179-165.5-167-56.9-164.82.1109.4N104 Q105 V106 S110 K111 D112 S283 E286 G287N104-R108 PolarHBondContact O-N 3.45Å; Q105-R108 WeakPolarHBondContact O-CA 3.43Å; Q105-R108 WeakPolarHBondContact O-CB 3.35Å; Q105-R108 PolarHBondContact O-N 3.14Å; Q105-R108 VanDerWaalsContact OE1-NE 3.15Å; V106-R108 VanDerWaalsContact C-N 3.35Å; R108-S110 VanDerWaalsContact C-N 3.27Å; R108-S110 PolarHBondContact O-N 3.07Å; R108-K111 PolarHBondContact O-N 3.38Å; R108-D112 VanDerWaalsContact O-CG 3.25Å; R108-D112 PolarHBondContact O-N 3.27Å; R108-S283 WeakPolarHBondContact CD-O 3.5Å; R108-S283 VanDerWaalsContact CD-OG 3.25Å; R108-S283 WeakPolarHBondContact CD-OG 3.42Å; R108-S283 PolarHBondContact NH1-O 2.98Å; R108-S283 VanDerWaalsContact NH1-O 3.12Å; R108-E286 PolarHBondContact NH1-O 3.23Å; R108-E286 VanDerWaalsContact NH1-O 3.16Å; R108-G287 VanDerWaalsContact NH1-N 3.19Å
109E98.3Very high97Very high25 Ų2545.5 Ų45.512%0.11722%0.219CC..Hα-helixtrans-57.6-39.9177.9-63.2-160.1179.600112L66 Q105 K111 D112 H113 R284L66-E109 HydrophobicContact CD1-CB 3.81Å; Q105-E109 PolarHBondContact NE2-OE1 3.48Å; Q105-E109 VanDerWaalsContact NE2-OE1 3.13Å; Q105-E109 PolarHBondContact O-N 2.88Å; E109-K111 VanDerWaalsContact C-N 3.33Å; E109-K111 PolarHBondContact O-N 3.03Å; E109-D112 PolarHBondContact O-N 3.39Å; E109-H113 WeakPolarHBondContact O-CB 3.5Å; E109-H113 PolarHBondContact O-CD2 3.37Å; E109-H113 PolarHBondContact O-N 3.42Å; E109-R284 WeakPolarHBondContact OE1-CG 3.26Å; E109-R284 IonicContact OE1-CZ 3.52Å; E109-R284 IonicContact OE1-NE 3.43Å; E109-R284 PolarHBondContact OE1-NE 3.03Å; E109-R284 IonicContact OE1-NH2 2.82Å; E109-R284 IonicContact OE2-CZ 2.76Å; E109-R284 IonicContact OE2-NE 2.66Å; E109-R284 IonicContact OE2-NH2 3.32Å; E109-R284 PolarHBondContact OE2-NH2 2.75Å
110S98.6Very high97.2Very high4 Ų440.7 Ų40.73%0.02820%0.201CC..Hα-helixtrans-53.7-47.9173.5177.90000112.7S63 E67 V106 R108 A114S63-S110 VanDerWaalsContact CB-O 3.26Å; S63-S110 WeakPolarHBondContact CB-O 3.47Å; S63-S110 PolarHBondContact O-OG 3.21Å; S63-S110 PolarHBondContact OG-O 3.27Å; S63-S110 PolarHBondContact OG-OG 3.3Å; E67-S110 WeakPolarHBondContact CB-OG 3.16Å; V106-S110 WeakPolarHBondContact O-CB 3.27Å; V106-S110 PolarHBondContact O-N 3.37Å; R108-S110 VanDerWaalsContact C-N 3.27Å; R108-S110 PolarHBondContact O-N 3.07Å; S110-A114 PolarHBondContact O-N 3.48Å
111K98.4Very high97.6Very high115 Ų11539.1 Ų39.150%0.520%0.199SC..Hα-helixtrans-70.6-36.1179.8-69.3170.2-177.1178.30112.5R107 R108 E109 A114 T115R107-K111 WeakPolarHBondContact O-CG 3.29Å; R107-K111 PolarHBondContact O-N 2.84Å; R108-K111 PolarHBondContact O-N 3.38Å; E109-K111 VanDerWaalsContact C-N 3.33Å; E109-K111 PolarHBondContact O-N 3.03Å; K111-A114 PolarHBondContact O-N 2.95Å; K111-T115 WeakPolarHBondContact O-CB 3.45Å; K111-T115 PolarHBondContact O-N 3.44Å; K111-T115 PolarHBondContact O-OG1 3.04Å
112D98.5Very high97.8Very high38 Ų3842.7 Ų42.720%0.20322%0.218CC..Hα-helixtrans-70.5-40179.8-60.2-21000110.7R108 E109 T115 L116 L280 S283R108-D112 VanDerWaalsContact O-CG 3.25Å; R108-D112 PolarHBondContact O-N 3.27Å; E109-D112 PolarHBondContact O-N 3.39Å; D112-T115 PolarHBondContact O-N 3.33Å; D112-L116 WeakPolarHBondContact O-CB 3.19Å; D112-L116 PolarHBondContact O-N 2.95Å; D112-L280 HydrophobicContact CB-CD1 3.48Å; D112-L280 VanDerWaalsContact CB-CD1 3.48Å; D112-S283 VanDerWaalsContact OD2-CB 3.23Å; D112-S283 WeakPolarHBondContact OD2-CB 3.49Å; D112-S283 PolarHBondContact OD2-OG 3.17Å
113H98.7Very high97.8Very high14 Ų1441.4 Ų41.47%0.06521%0.212CC..Hα-helixtrans-68.6-34.8172.6-79.5-86.6000112.8E59 Y62 E109 L116 S117 R284E59-H113 IonicContact OE2-CE1 3.02Å; E59-H113 PolarHBondContact OE2-CE1 3.21Å; E59-H113 IonicContact OE2-CG 2.82Å; E59-H113 IonicContact OE2-ND1 2.74Å; E59-H113 PolarHBondContact OE2-ND1 2.98Å; Y62-H113 HydrophobicContact CD1-CB 4.39Å; Y62-H113 AromaticContact CD1-CD2 3.88Å; Y62-H113 AromaticContact CD1-CE1 3.82Å; Y62-H113 AromaticContact CD1-CG 3.77Å; Y62-H113 AromaticContact CD1-ND1 3.73Å; Y62-H113 AromaticContact CD1-NE2 3.93Å; Y62-H113 AromaticContact CE1-CD2 3.76Å; Y62-H113 AromaticContact CE1-CE1 3.82Å; Y62-H113 AromaticContact CE1-NE2 3.57Å; E109-H113 WeakPolarHBondContact O-CB 3.5Å; E109-H113 PolarHBondContact O-CD2 3.37Å; E109-H113 PolarHBondContact O-N 3.42Å; H113-L116 PolarHBondContact O-N 2.76Å; H113-S117 PolarHBondContact O-N 3.24Å; H113-R284 PolarHBondContact NE2-NH2 2.88Å
114A98.7Very high98Very high21 Ų2141 Ų4117%0.17421%0.21CC..Hα-helixtrans-62-47.2168.800000111.3M60 S63 S110 K111 L116 S117 D118M60-A114 HydrophobicContact CE-CB 4.23Å; M60-A114 HydrophobicContact SD-CB 4.46Å; S63-A114 WeakPolarHBondContact OG-CB 3.46Å; S110-A114 PolarHBondContact O-N 3.48Å; K111-A114 PolarHBondContact O-N 2.95Å; A114-L116 VanDerWaalsContact C-N 3.28Å; A114-L116 PolarHBondContact O-N 3.21Å; A114-S117 VanDerWaalsContact O-CB 3.31Å; A114-S117 WeakPolarHBondContact O-CB 3.43Å; A114-S117 PolarHBondContact O-N 3.32Å; A114-S117 VanDerWaalsContact O-N 3.16Å; A114-D118 PolarHBondContact O-N 3.21Å
115T98.6Very high98.3Very high73 Ų7339.2 Ų39.245%0.44820%0.2SC..Hα-helixtrans-61.3-36.8177.5-55.70000111.6K111 D112 D118 I119K111-T115 WeakPolarHBondContact O-CB 3.45Å; K111-T115 PolarHBondContact O-N 3.44Å; K111-T115 PolarHBondContact O-OG1 3.04Å; D112-T115 PolarHBondContact O-N 3.33Å; T115-D118 PolarHBondContact O-N 2.79Å; T115-I119 HydrophobicContact CG2-CD1 4.08Å; T115-I119 VanDerWaalsContact O-CG1 3.25Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.45Å
116L98.6Very high98.3Very high4 Ų443.3 Ų43.32%0.02122%0.22CC..Hα-helixtrans-64.8-43.1175.4-173.260.4000111.8E59 D112 H113 A114 I119 Y120 A276 L280E59-L116 HydrophobicContact CG-CD2 4.18Å; E59-L116 HydrophobicContact CG-CG 4.34Å; D112-L116 WeakPolarHBondContact O-CB 3.19Å; D112-L116 PolarHBondContact O-N 2.95Å; H113-L116 PolarHBondContact O-N 2.76Å; A114-L116 VanDerWaalsContact C-N 3.28Å; A114-L116 PolarHBondContact O-N 3.21Å; L116-I119 PolarHBondContact O-N 3.46Å; L116-Y120 HydrophobicContact CD1-CD1 4.41Å; L116-Y120 HydrophobicContact CD1-CE1 3.5Å; L116-Y120 VanDerWaalsContact CD1-CE1 3.5Å; L116-Y120 HydrophobicContact CD1-CE2 4.42Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.49Å; L116-Y120 HydrophobicContact CD2-CE2 4.49Å; L116-Y120 WeakPolarHBondContact CD2-OH 3.23Å; L116-Y120 HydrophobicContact CG-CE1 3.94Å; L116-Y120 HydrophobicContact CG-CE2 3.95Å; L116-Y120 WeakPolarHBondContact CG-OH 3.29Å; L116-Y120 WeakPolarHBondContact O-CD1 3.36Å; L116-Y120 VanDerWaalsContact O-CG 3.3Å; L116-Y120 PolarHBondContact O-N 2.96Å; L116-A276 HydrophobicContact CD1-CB 3.45Å; L116-A276 VanDerWaalsContact CD1-CB 3.45Å; L116-L280 HydrophobicContact CD2-CD2 3.79Å
117S98.6Very high98.3Very high2 Ų245.5 Ų45.51%0.01423%0.226CC..Hα-helixtrans-59.1-47.8172-170.60000111.9A56 H113 A114 I119 Y120 L121A56-S117 VanDerWaalsContact C-OG 3.31Å; A56-S117 WeakPolarHBondContact CB-OG 3.41Å; A56-S117 WeakPolarHBondContact O-CB 3.41Å; A56-S117 PolarHBondContact O-OG 3.42Å; H113-S117 PolarHBondContact O-N 3.24Å; A114-S117 VanDerWaalsContact O-CB 3.31Å; A114-S117 WeakPolarHBondContact O-CB 3.43Å; A114-S117 PolarHBondContact O-N 3.32Å; A114-S117 VanDerWaalsContact O-N 3.16Å; S117-I119 VanDerWaalsContact C-N 3.32Å; S117-I119 PolarHBondContact O-N 3.19Å; S117-Y120 WeakPolarHBondContact O-CB 3.46Å; S117-Y120 PolarHBondContact O-N 3.03Å; S117-L121 WeakPolarHBondContact O-CG 3.23Å; S117-L121 PolarHBondContact O-N 3.08Å
118D98.6Very high98.4Very high79 Ų7943.3 Ų43.342%0.42222%0.218SC..Hα-helixtrans-61.2-37.9176.7-81.2-31.1000112.6A114 T115 Y120 N122A114-D118 PolarHBondContact O-N 3.21Å; T115-D118 PolarHBondContact O-N 2.79Å; D118-Y120 VanDerWaalsContact C-N 3.34Å; D118-N122 VanDerWaalsContact O-CB 3.26Å; D118-N122 WeakPolarHBondContact O-CB 3.4Å; D118-N122 PolarHBondContact O-N 2.95Å; D118-N122 PolarHBondContact O-ND2 3.25Å
119I98.6Very high98.3Very high48 Ų4843.6 Ų43.625%0.24622%0.223CC..Hα-helixtrans-65-38.8174.2-71.9164000110.7T115 L116 S117 N123 V124 T272 A276T115-I119 HydrophobicContact CG2-CD1 4.08Å; T115-I119 VanDerWaalsContact O-CG1 3.25Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.45Å; L116-I119 PolarHBondContact O-N 3.46Å; S117-I119 VanDerWaalsContact C-N 3.32Å; S117-I119 PolarHBondContact O-N 3.19Å; I119-N123 HydrophobicContact CG2-CB 4.38Å; I119-N123 WeakPolarHBondContact O-CA 3.27Å; I119-N123 WeakPolarHBondContact O-CB 3.43Å; I119-N123 PolarHBondContact O-N 3.12Å; I119-V124 HydrophobicContact CG2-CG2 4.32Å; I119-V124 PolarHBondContact O-N 2.69Å; I119-T272 HydrophobicContact CG2-CG2 4.37Å; I119-A276 HydrophobicContact CD1-CB 4.04Å; I119-A276 HydrophobicContact CG2-CB 3.99Å
120Y98.6Very high98.3Very high0 Ų047.4 Ų47.40%024%0.24CC..Iπ-helixtrans-65.6-52.2177.5-63.3-13.7000111.6F52 K55 A56 E59 L116 S117 D118 V124 I125 Y273 E277F52-Y120 AromaticContact CD1-CD1 3.93Å; F52-Y120 HydrophobicContact CD1-CD1 3.93Å; F52-Y120 HydrophobicContact CD1-CD2 4.12Å; F52-Y120 HydrophobicContact CD1-CE1 4.26Å; F52-Y120 HydrophobicContact CD1-CE2 4.42Å; F52-Y120 AromaticContact CD1-CG 3.86Å; F52-Y120 HydrophobicContact CD1-CG 3.86Å; F52-Y120 HydrophobicContact CE1-CD1 4.15Å; F52-Y120 HydrophobicContact CE1-CE1 4.06Å; F52-Y120 HydrophobicContact CE1-CG 4.47Å; K55-Y120 HydrophobicContact CB-CD2 4.22Å; K55-Y120 HydrophobicContact CB-CE2 4.06Å; K55-Y120 HydrophobicContact CD-CD2 4.49Å; K55-Y120 HydrophobicContact CD-CE2 3.58Å; K55-Y120 HydrophobicContact CG-CD2 4.38Å; K55-Y120 HydrophobicContact CG-CE2 3.72Å; K55-Y120 PolarHBondContact NZ-OH 3.38Å; A56-Y120 HydrophobicContact CB-CD2 4.1Å; E59-Y120 HydrophobicContact CG-CD2 4.43Å; E59-Y120 HydrophobicContact CG-CE2 3.85Å; L116-Y120 HydrophobicContact CD1-CD1 4.41Å; L116-Y120 HydrophobicContact CD1-CE1 3.5Å; L116-Y120 VanDerWaalsContact CD1-CE1 3.5Å; L116-Y120 HydrophobicContact CD1-CE2 4.42Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.49Å; L116-Y120 HydrophobicContact CD2-CE2 4.49Å; L116-Y120 WeakPolarHBondContact CD2-OH 3.23Å; L116-Y120 HydrophobicContact CG-CE1 3.94Å; L116-Y120 HydrophobicContact CG-CE2 3.95Å; L116-Y120 WeakPolarHBondContact CG-OH 3.29Å; L116-Y120 WeakPolarHBondContact O-CD1 3.36Å; L116-Y120 VanDerWaalsContact O-CG 3.3Å; L116-Y120 PolarHBondContact O-N 2.96Å; S117-Y120 WeakPolarHBondContact O-CB 3.46Å; S117-Y120 PolarHBondContact O-N 3.03Å; D118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-V124 HydrophobicContact CD1-CG2 4.15Å; Y120-V124 PolarHBondContact O-N 2.97Å; Y120-I125 WeakPolarHBondContact O-CG1 3.29Å; Y120-I125 PolarHBondContact O-N 2.89Å; Y120-Y273 AromaticContact CE1-CD2 3.77Å; Y120-Y273 HydrophobicContact CE1-CD2 3.77Å; Y120-Y273 HydrophobicContact CE1-CE2 4.39Å; Y120-E277 PolarHBondContact OH-OE1 3.48Å
121L98.3Very high98.2Very high70 Ų7047.5 Ų47.537%0.36624%0.241SC..Iπ-helixtrans-61.6-54.7-179.2-64.3172.8000111.7A56 S117 I125A56-L121 HydrophobicContact CB-CD1 4.39Å; A56-L121 HydrophobicContact CB-CD2 3.84Å; A56-L121 HydrophobicContact CB-CG 3.79Å; S117-L121 WeakPolarHBondContact O-CG 3.23Å; S117-L121 PolarHBondContact O-N 3.08Å; L121-I125 HydrophobicContact CD2-CD1 4.07Å
122N97.9Very high98.1Very high112 Ų11242.9 Ų42.960%0.59922%0.223SC*.Iπ-helixtrans-89.9-12.3-167.4-57.6-72.7000114.1D118 M126D118-N122 VanDerWaalsContact O-CB 3.26Å; D118-N122 WeakPolarHBondContact O-CB 3.4Å; D118-N122 PolarHBondContact O-N 2.95Å; D118-N122 PolarHBondContact O-ND2 3.25Å; N122-M126 WeakPolarHBondContact O-CG 3.33Å
123N98Very high98Very high54 Ų5446.3 Ų46.329%0.28924%0.238SC..Iπ-helixtrans-130.5-44.5-172.4-157.2-22.5000113.3I119 R127I119-N123 HydrophobicContact CG2-CB 4.38Å; I119-N123 WeakPolarHBondContact O-CA 3.27Å; I119-N123 WeakPolarHBondContact O-CB 3.43Å; I119-N123 PolarHBondContact O-N 3.12Å; N123-R127 VanDerWaalsContact O-CD 3.26Å; N123-R127 WeakPolarHBondContact O-CD 3.35Å; N123-R127 WeakPolarHBondContact O-CG 3.33Å; N123-R127 PolarHBondContact O-NE 2.98Å; N123-R127 PolarHBondContact OD1-NE 3.34Å; N123-R127 PolarHBondContact OD1-NH2 3.04Å
124V98.3Very high97.8Very high0 Ų047.5 Ų47.50%024%0.244CC..Iπ-helixtrans-80.3-53.1-178.6-179.90000111.6F52 I119 Y120 M126 R127 F128 T272F52-V124 HydrophobicContact CD1-CG1 4.1Å; F52-V124 HydrophobicContact CD2-CG1 3.88Å; F52-V124 HydrophobicContact CE1-CG1 4.32Å; F52-V124 HydrophobicContact CE2-CG1 4.08Å; F52-V124 HydrophobicContact CG-CG1 3.89Å; F52-V124 HydrophobicContact CZ-CG1 4.3Å; I119-V124 HydrophobicContact CG2-CG2 4.32Å; I119-V124 PolarHBondContact O-N 2.69Å; Y120-V124 HydrophobicContact CD1-CG2 4.15Å; Y120-V124 PolarHBondContact O-N 2.97Å; V124-M126 PolarHBondContact O-N 2.96Å; V124-R127 WeakPolarHBondContact O-CB 3.44Å; V124-R127 PolarHBondContact O-N 2.87Å; V124-R127 VanDerWaalsContact O-N 3.17Å; V124-F128 HydrophobicContact CG1-CD2 4.1Å; V124-F128 HydrophobicContact CG1-CE2 3.43Å; V124-F128 VanDerWaalsContact CG1-CE2 3.43Å; V124-F128 HydrophobicContact CG1-CZ 4.05Å; V124-F128 WeakPolarHBondContact O-CD2 3.42Å; V124-F128 PolarHBondContact O-N 3.29Å; V124-T272 HydrophobicContact CG2-CG2 4.26Å
125I98.4Very high97.6Very high16 Ų1646.9 Ų46.98%0.08224%0.238CC..Iπ-helixtrans-61.3-46.6178.8-66.4175.8000110.6Q49 F52 R53 Y120 L121 R127 F128 M129Q49-I125 HydrophobicContact CB-CG2 4.28Å; Q49-I125 HydrophobicContact CG-CG2 4.1Å; F52-I125 HydrophobicContact CB-CD1 4.28Å; F52-I125 HydrophobicContact CB-CG1 3.84Å; R53-I125 HydrophobicContact CB-CD1 3.91Å; Y120-I125 WeakPolarHBondContact O-CG1 3.29Å; Y120-I125 PolarHBondContact O-N 2.89Å; L121-I125 HydrophobicContact CD2-CD1 4.07Å; I125-R127 PolarHBondContact O-N 3.41Å; I125-R127 VanDerWaalsContact O-N 3.14Å; I125-F128 PolarHBondContact O-N 3.37Å; I125-M129 PolarHBondContact O-N 3.19Å
126M97.9Very high97.3Very high94 Ų9447 Ų4746%0.46324%0.24SC..Hα-helixtrans-55.5-32.2176.9-66.5-58.2-66.800113.2N122 V124 M129 Q130N122-M126 WeakPolarHBondContact O-CG 3.33Å; V124-M126 PolarHBondContact O-N 2.96Å; M126-M129 HydrophobicContact CE-CE 3.7Å; M126-M129 HydrophobicContact SD-CE 4.01Å; M126-Q130 WeakPolarHBondContact O-CB 3.36Å; M126-Q130 PolarHBondContact O-N 3.13Å; M126-Q130 VanDerWaalsContact O-N 3.13Å
127R98.1Very high97.1Very high74 Ų7453.4 Ų53.428%0.27926%0.263SS..Hα-helixtrans-72.2-43.4173.8-74.6170.2-162.9-60.8-8.5112.3N123 V124 I125 M129 Q130 I131 A269N123-R127 VanDerWaalsContact O-CD 3.26Å; N123-R127 WeakPolarHBondContact O-CD 3.35Å; N123-R127 WeakPolarHBondContact O-CG 3.33Å; N123-R127 PolarHBondContact O-NE 2.98Å; N123-R127 PolarHBondContact OD1-NE 3.34Å; N123-R127 PolarHBondContact OD1-NH2 3.04Å; V124-R127 WeakPolarHBondContact O-CB 3.44Å; V124-R127 PolarHBondContact O-N 2.87Å; V124-R127 VanDerWaalsContact O-N 3.17Å; I125-R127 PolarHBondContact O-N 3.41Å; I125-R127 VanDerWaalsContact O-N 3.14Å; R127-M129 VanDerWaalsContact C-N 3.35Å; R127-Q130 PolarHBondContact O-N 3.25Å; R127-I131 WeakPolarHBondContact O-CD1 3.4Å; R127-I131 WeakPolarHBondContact O-CG1 3.48Å; R127-I131 PolarHBondContact O-N 2.69Å; R127-A269 HydrophobicContact CB-CB 3.95Å
128F98.4Very high96.8Very high0 Ų055.2 Ų55.20%027%0.273CS..Hα-helixtrans-65.7-38.9177.9-63.9-45.6000112.2L45 L48 Q49 F52 V124 I125 I131 S132 L266 A269 L270L45-F128 HydrophobicContact CD2-CB 4.24Å; L45-F128 HydrophobicContact CD2-CD1 3.78Å; L45-F128 HydrophobicContact CD2-CG 4.38Å; L48-F128 HydrophobicContact CB-CD2 4.01Å; L48-F128 HydrophobicContact CB-CE2 3.98Å; L48-F128 HydrophobicContact CB-CG 4.36Å; L48-F128 HydrophobicContact CB-CZ 4.31Å; L48-F128 HydrophobicContact CD1-CD1 4.45Å; L48-F128 HydrophobicContact CD1-CE1 4.09Å; L48-F128 HydrophobicContact CD1-CZ 4.23Å; Q49-F128 HydrophobicContact CG-CB 3.52Å; Q49-F128 HydrophobicContact CG-CD2 4.44Å; Q49-F128 HydrophobicContact CG-CG 4.46Å; F52-F128 HydrophobicContact CD2-CD2 4.49Å; F52-F128 AromaticContact CD2-CE2 3.64Å; F52-F128 HydrophobicContact CD2-CE2 3.64Å; F52-F128 HydrophobicContact CD2-CZ 4.48Å; F52-F128 AromaticContact CE2-CE2 3.92Å; F52-F128 HydrophobicContact CE2-CE2 3.92Å; F52-F128 HydrophobicContact CE2-CZ 4.34Å; V124-F128 HydrophobicContact CG1-CD2 4.1Å; V124-F128 HydrophobicContact CG1-CE2 3.43Å; V124-F128 VanDerWaalsContact CG1-CE2 3.43Å; V124-F128 HydrophobicContact CG1-CZ 4.05Å; V124-F128 WeakPolarHBondContact O-CD2 3.42Å; V124-F128 PolarHBondContact O-N 3.29Å; I125-F128 PolarHBondContact O-N 3.37Å; F128-I131 HydrophobicContact CD1-CD1 4.31Å; F128-I131 PolarHBondContact O-N 2.91Å; F128-S132 WeakPolarHBondContact O-CB 3.43Å; F128-S132 PolarHBondContact O-N 2.68Å; F128-L266 HydrophobicContact CD1-CD1 4.45Å; F128-L266 HydrophobicContact CE1-CD1 3.72Å; F128-A269 HydrophobicContact CD1-CB 4.04Å; F128-A269 HydrophobicContact CE1-CB 3.46Å; F128-A269 VanDerWaalsContact CE1-CB 3.46Å; F128-A269 HydrophobicContact CZ-CB 3.85Å; F128-L270 HydrophobicContact CZ-CD2 4.15Å
129M97.3Very high96.5Very high73 Ų7352.5 Ų52.536%0.3626%0.258SS..Hα-helixtrans-57.5-51.3171.8-166.517875.900111.1I125 M126 R127 I131 S132 E133I125-M129 PolarHBondContact O-N 3.19Å; M126-M129 HydrophobicContact CE-CE 3.7Å; M126-M129 HydrophobicContact SD-CE 4.01Å; R127-M129 VanDerWaalsContact C-N 3.35Å; M129-I131 PolarHBondContact O-N 2.9Å; M129-S132 WeakPolarHBondContact O-CB 3.43Å; M129-S132 PolarHBondContact O-N 3.02Å; M129-S132 VanDerWaalsContact O-N 3.12Å; M129-E133 PolarHBondContact O-N 3.44Å
130Q97.4Very high96.3Very high105 Ų10556.9 Ų56.949%0.49128%0.275SS..Hα-helixtrans-58.9-42.5176.1-174.9-177.92.800112.6M126 R127 S132 E133 D134M126-Q130 WeakPolarHBondContact O-CB 3.36Å; M126-Q130 PolarHBondContact O-N 3.13Å; M126-Q130 VanDerWaalsContact O-N 3.13Å; R127-Q130 PolarHBondContact O-N 3.25Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.46Å; Q130-E133 PolarHBondContact O-N 3.34Å; Q130-D134 WeakPolarHBondContact O-CB 3.29Å; Q130-D134 VanDerWaalsContact O-CG 3.25Å; Q130-D134 PolarHBondContact O-N 3.36Å
131I97.3Very high96.1Very high6 Ų662.1 Ų62.13%0.03130%0.298CS..Hα-helixtrans-64.6-35.5178.4-62.3158.8000110.5L45 R127 F128 M129 D134 S135 Y262L45-I131 HydrophobicContact CD1-CB 4.12Å; L45-I131 HydrophobicContact CD1-CG2 3.73Å; L45-I131 HydrophobicContact CD2-CB 4.25Å; L45-I131 HydrophobicContact CD2-CG2 4.1Å; R127-I131 WeakPolarHBondContact O-CD1 3.4Å; R127-I131 WeakPolarHBondContact O-CG1 3.48Å; R127-I131 PolarHBondContact O-N 2.69Å; F128-I131 HydrophobicContact CD1-CD1 4.31Å; F128-I131 PolarHBondContact O-N 2.91Å; M129-I131 PolarHBondContact O-N 2.9Å; I131-D134 PolarHBondContact O-N 3.01Å; I131-S135 WeakPolarHBondContact O-CB 3.43Å; I131-S135 PolarHBondContact O-N 3.32Å; I131-S135 PolarHBondContact O-OG 3.28Å; I131-Y262 HydrophobicContact CG2-CD2 3.74Å; I131-Y262 HydrophobicContact CG2-CE2 4.18Å
132S96.2Very high95.8Very high18 Ų1859 Ų5913%0.12628%0.282CS..Hα-helixtrans-66.6-44.4177.8-168.80000111.9F128 M129 Q130 T136F128-S132 WeakPolarHBondContact O-CB 3.43Å; F128-S132 PolarHBondContact O-N 2.68Å; M129-S132 WeakPolarHBondContact O-CB 3.43Å; M129-S132 PolarHBondContact O-N 3.02Å; M129-S132 VanDerWaalsContact O-N 3.12Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.46Å; S132-T136 WeakPolarHBondContact O-CB 3.28Å; S132-T136 PolarHBondContact O-N 2.83Å; S132-T136 PolarHBondContact O-OG1 3.22Å
133E96.1Very high95.6Very high110 Ų11057.1 Ų57.151%0.51427%0.269SS..Hα-helixtrans-61.4-44.7171.9-68176.6-165.600112.1M129 Q130 R137M129-E133 PolarHBondContact O-N 3.44Å; Q130-E133 PolarHBondContact O-N 3.34Å; E133-R137 VanDerWaalsContact O-CB 3.25Å; E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 PolarHBondContact O-N 2.94Å
134D94.8Very high95.4Very high39 Ų3958.9 Ų58.921%0.20928%0.275CS..Hα-helixtrans-62.7-49.2178.5-76.7-14.2000111.6Q130 I131 R137 L138Q130-D134 WeakPolarHBondContact O-CB 3.29Å; Q130-D134 VanDerWaalsContact O-CG 3.25Å; Q130-D134 PolarHBondContact O-N 3.36Å; I131-D134 PolarHBondContact O-N 3.01Å; D134-R137 PolarHBondContact O-N 3.38Å; D134-R137 IonicContact OD1-CZ 2.67Å; D134-R137 IonicContact OD1-NH1 2.72Å; D134-R137 PolarHBondContact OD1-NH1 2.94Å; D134-R137 IonicContact OD1-NH2 2.85Å; D134-R137 PolarHBondContact OD1-NH2 3.39Å; D134-L138 WeakPolarHBondContact O-CB 3.27Å; D134-L138 VanDerWaalsContact O-CG 3.28Å; D134-L138 WeakPolarHBondContact O-CG 3.25Å; D134-L138 PolarHBondContact O-N 3.4Å
135S93.6Very high95.3Very high7 Ų763 Ų635%0.04930%0.297CS..Hα-helixtrans-63.4-41.6177.3-76.20000112.6I131 R137 L138 L139I131-S135 WeakPolarHBondContact O-CB 3.43Å; I131-S135 PolarHBondContact O-N 3.32Å; I131-S135 PolarHBondContact O-OG 3.28Å; S135-R137 VanDerWaalsContact C-N 3.34Å; S135-R137 PolarHBondContact O-N 2.88Å; S135-L138 PolarHBondContact O-N 3.42Å; S135-L139 WeakPolarHBondContact O-CB 3.43Å; S135-L139 PolarHBondContact O-N 3.29Å
136T92.4Very high95.1Very high77 Ų7762.3 Ų62.347%0.47229%0.293SS..Hα-helixtrans-63.8-40.8176.9-58.30000111.4S132 K140S132-T136 WeakPolarHBondContact O-CB 3.28Å; S132-T136 PolarHBondContact O-N 2.83Å; S132-T136 PolarHBondContact O-OG1 3.22Å; T136-K140 PolarHBondContact O-N 3.05Å
137R94.8Very high95Very high137 Ų13764.1 Ų64.152%0.51730%0.299SS..Hα-helixtrans-69.4-40.4176.7-173.2-178.968.4-109.3-1.2112.4E133 D134 S135 K140 K141E133-R137 VanDerWaalsContact O-CB 3.25Å; E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 PolarHBondContact O-N 2.94Å; D134-R137 PolarHBondContact O-N 3.38Å; D134-R137 IonicContact OD1-CZ 2.67Å; D134-R137 IonicContact OD1-NH1 2.72Å; D134-R137 PolarHBondContact OD1-NH1 2.94Å; D134-R137 IonicContact OD1-NH2 2.85Å; D134-R137 PolarHBondContact OD1-NH2 3.39Å; S135-R137 VanDerWaalsContact C-N 3.34Å; S135-R137 PolarHBondContact O-N 2.88Å; R137-K140 PolarHBondContact O-N 3.39Å; R137-K141 PolarHBondContact O-N 3.43Å
138L92.8Very high94.9Very high40 Ų4065.1 Ų65.121%0.20931%0.306CS..Hα-helixtrans-65.2-49.4176.8-77.7167.3000111.2D134 S135 K140 K141 S142 L260D134-L138 WeakPolarHBondContact O-CB 3.27Å; D134-L138 VanDerWaalsContact O-CG 3.28Å; D134-L138 WeakPolarHBondContact O-CG 3.25Å; D134-L138 PolarHBondContact O-N 3.4Å; S135-L138 PolarHBondContact O-N 3.42Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 3.48Å; L138-K141 WeakPolarHBondContact O-CA 3.22Å; L138-K141 PolarHBondContact O-N 3.01Å; L138-S142 PolarHBondContact O-N 3.4Å; L138-S142 PolarHBondContact O-OG 3.44Å; L138-L260 HydrophobicContact CD1-CB 4.26Å; L138-L260 WeakPolarHBondContact CD1-O 3.18Å; L138-L260 HydrophobicContact CD2-CB 4.48Å; L138-L260 HydrophobicContact CD2-CD2 4.33Å
139L91.9Very high94.9Very high22 Ų2267.2 Ų67.212%0.11532%0.317CS..Hα-helixtrans-51.3-49.8174.4171.967.9000110.8T38 S135 K141 S142 K143T38-L139 HydrophobicContact CG2-CB 3.98Å; T38-L139 HydrophobicContact CG2-CD2 3.88Å; T38-L139 HydrophobicContact CG2-CG 4.4Å; S135-L139 WeakPolarHBondContact O-CB 3.43Å; S135-L139 PolarHBondContact O-N 3.29Å; L139-K141 PolarHBondContact O-N 3.47Å; L139-S142 CarbonylContact O-C 3.53Å; L139-S142 PolarHBondContact O-N 3.2Å; L139-K143 HydrophobicContact CD1-CG 4.05Å; L139-K143 HydrophobicContact CG-CG 4.2Å; L139-K143 VanDerWaalsContact O-CG 3.3Å; L139-K143 WeakPolarHBondContact O-CG 3.48Å; L139-K143 PolarHBondContact O-N 3.4Å
140K93.3Very high94.8Very high141 Ų14165 Ų6561%0.61331%0.306SS*.Hα-helixtrans-55.2-39.2-179.9-175.6174179.3175.90112.1T136 R137 L138 E144T136-K140 PolarHBondContact O-N 3.05Å; R137-K140 PolarHBondContact O-N 3.39Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 3.48Å; K140-E144 WeakPolarHBondContact O-CG 3.33Å; K140-E144 PolarHBondContact O-N 3.14Å
141K94.3Very high94.8Very high110 Ų11063.8 Ų63.848%0.47830%0.3SS..Hα-helixtrans-73-39.1175.9-72.1-73.3161.2-131.90112.7R137 L138 L139 K143 E144 I145R137-K141 PolarHBondContact O-N 3.43Å; L138-K141 WeakPolarHBondContact O-CA 3.22Å; L138-K141 PolarHBondContact O-N 3.01Å; L139-K141 PolarHBondContact O-N 3.47Å; K141-K143 VanDerWaalsContact C-N 3.34Å; K141-K143 PolarHBondContact O-N 3.38Å; K141-E144 IonicContact NZ-OE1 3.12Å; K141-E144 PolarHBondContact NZ-OE1 2.87Å; K141-E144 IonicContact NZ-OE2 3.81Å; K141-E144 PolarHBondContact NZ-OE2 3.33Å; K141-E144 PolarHBondContact O-N 2.65Å; K141-I145 WeakPolarHBondContact O-CG1 3.37Å; K141-I145 PolarHBondContact O-N 3.46Å
142S92.8Very high94.8Very high5 Ų566.5 Ų66.54%0.03532%0.315CS..Hα-helixtrans-61.5-38.8171.8-63.20000112.2L138 L139 E144 I145 A146 L254 C258L138-S142 PolarHBondContact O-N 3.4Å; L138-S142 PolarHBondContact O-OG 3.44Å; L139-S142 CarbonylContact O-C 3.53Å; L139-S142 PolarHBondContact O-N 3.2Å; S142-E144 PolarHBondContact O-N 2.98Å; S142-I145 PolarHBondContact O-N 2.87Å; S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 3.37Å; S142-A146 PolarHBondContact O-N 3.38Å; S142-L254 WeakPolarHBondContact O-CD1 3.44Å; S142-C258 WeakPolarHBondContact CB-SG 3.43Å; S142-C258 PolarHBondContact OG-SG 3.27Å
143K92.7Very high94.9Very high72 Ų7266 Ų6631%0.31331%0.311SS..Hα-helixtrans-61.8-41174.8-56.8-156.5-162.3-166.40112.6D35 L139 K141 I145 A146 F147D35-K143 WeakPolarHBondContact OD1-CE 3.21Å; D35-K143 IonicContact OD1-NZ 3.47Å; D35-K143 PolarHBondContact OD1-NZ 3.11Å; D35-K143 IonicContact OD2-NZ 2.61Å; D35-K143 PolarHBondContact OD2-NZ 2.81Å; L139-K143 HydrophobicContact CD1-CG 4.05Å; L139-K143 HydrophobicContact CG-CG 4.2Å; L139-K143 VanDerWaalsContact O-CG 3.3Å; L139-K143 WeakPolarHBondContact O-CG 3.48Å; L139-K143 PolarHBondContact O-N 3.4Å; K141-K143 VanDerWaalsContact C-N 3.34Å; K141-K143 PolarHBondContact O-N 3.38Å; K143-I145 VanDerWaalsContact C-N 3.31Å; K143-I145 PolarHBondContact O-N 3.06Å; K143-A146 PolarHBondContact O-N 3.37Å; K143-F147 WeakPolarHBondContact O-CB 3.44Å; K143-F147 PolarHBondContact O-N 3.19Å
144E94.9Very high94.9Very high91 Ų9161.9 Ų61.943%0.42529%0.292SS..Hα-helixtrans-60.5-41.2176.3-68.9167.7-15300111.2K140 K141 S142 Q148K140-E144 WeakPolarHBondContact O-CG 3.33Å; K140-E144 PolarHBondContact O-N 3.14Å; K141-E144 IonicContact NZ-OE1 3.12Å; K141-E144 PolarHBondContact NZ-OE1 2.87Å; K141-E144 IonicContact NZ-OE2 3.81Å; K141-E144 PolarHBondContact NZ-OE2 3.33Å; K141-E144 PolarHBondContact O-N 2.65Å; S142-E144 PolarHBondContact O-N 2.98Å; E144-Q148 PolarHBondContact O-N 3.1Å
145I95.6Very high95.1Very high87 Ų8764.4 Ų64.445%0.44630%0.301SS..Hα-helixtrans-71.9-44.5177-63.3166.4000111.3K141 S142 K143 F147 Q148 L149 L254K141-I145 WeakPolarHBondContact O-CG1 3.37Å; K141-I145 PolarHBondContact O-N 3.46Å; S142-I145 PolarHBondContact O-N 2.87Å; K143-I145 VanDerWaalsContact C-N 3.31Å; K143-I145 PolarHBondContact O-N 3.06Å; I145-F147 VanDerWaalsContact C-N 3.35Å; I145-F147 PolarHBondContact O-N 3.34Å; I145-Q148 PolarHBondContact O-N 3.42Å; I145-L149 HydrophobicContact CG2-CD1 3.93Å; I145-L149 HydrophobicContact CG2-CG 4.42Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 3.37Å; I145-L254 HydrophobicContact CB-CD1 4.48Å; I145-L254 HydrophobicContact CG2-CD1 4.4Å
146A95.3Very high95.2Very high1 Ų165.7 Ų65.71%0.00831%0.308CS..Hα-helixtrans-57.8-47.2178.600000111.3S142 K143 Q148 L149 Q150 L254S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 3.37Å; S142-A146 PolarHBondContact O-N 3.38Å; K143-A146 PolarHBondContact O-N 3.37Å; A146-Q148 PolarHBondContact O-N 3.19Å; A146-L149 PolarHBondContact O-N 2.78Å; A146-Q150 WeakPolarHBondContact O-CB 3.46Å; A146-Q150 VanDerWaalsContact O-CG 3.28Å; A146-Q150 WeakPolarHBondContact O-CG 3.08Å; A146-Q150 PolarHBondContact O-N 2.91Å; A146-L254 HydrophobicContact CB-CD1 4.25Å; A146-L254 HydrophobicContact CB-CD2 3.64Å
147F95.4Very high95.4Very high132 Ų13262.2 Ų62.258%0.57929%0.287SS*.Hα-helixtrans-59.3-45.4176.9-176.8-90.4000111.8K143 I145 Q150 E151K143-F147 WeakPolarHBondContact O-CB 3.44Å; K143-F147 PolarHBondContact O-N 3.19Å; I145-F147 VanDerWaalsContact C-N 3.35Å; I145-F147 PolarHBondContact O-N 3.34Å; F147-Q150 PolarHBondContact O-N 3.23Å; F147-E151 WeakPolarHBondContact CE1-OE2 3.24Å; F147-E151 WeakPolarHBondContact O-CB 3.42Å; F147-E151 PolarHBondContact O-N 3.32Å
148Q96.7Very high95.5Very high94 Ų9459.8 Ų59.844%0.43928%0.284SS..Hα-helixtrans-60.4-48177.6-175.96460.900111.9E144 I145 A146 Q150 E151 D152E144-Q148 PolarHBondContact O-N 3.1Å; I145-Q148 PolarHBondContact O-N 3.42Å; A146-Q148 PolarHBondContact O-N 3.19Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 3.06Å; Q148-E151 PolarHBondContact O-N 2.86Å; Q148-D152 VanDerWaalsContact NE2-CG 3.34Å; Q148-D152 PolarHBondContact NE2-OD1 2.93Å; Q148-D152 PolarHBondContact NE2-OD2 3.37Å; Q148-D152 PolarHBondContact O-N 3.46Å
149L96.7Very high95.7Very high45 Ų4563.1 Ų63.124%0.23630%0.299CS..Hα-helixtrans-60.8-41.2177.7-68.9167.8000112I145 A146 L153 Y246 D250I145-L149 HydrophobicContact CG2-CD1 3.93Å; I145-L149 HydrophobicContact CG2-CG 4.42Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 3.37Å; A146-L149 PolarHBondContact O-N 2.78Å; L149-L153 WeakPolarHBondContact O-CB 3.29Å; L149-L153 PolarHBondContact O-N 3.17Å; L149-Y246 HydrophobicContact CB-CD2 4.14Å; L149-Y246 HydrophobicContact CB-CE2 3.85Å; L149-D250 HydrophobicContact CD1-CB 4.14Å; L149-D250 HydrophobicContact CD2-CB 4.45Å
150Q96.7Very high95.9Very high27 Ų2762.3 Ų62.313%0.12630%0.295CS..Hα-helixtrans-69.4-38.5177-72.1-174-6.300112.5L27 A146 F147 Q148 M154 Y246L27-Q150 HydrophobicContact CB-CG 4.25Å; L27-Q150 HydrophobicContact CD1-CB 4.05Å; L27-Q150 HydrophobicContact CD1-CG 4.04Å; L27-Q150 HydrophobicContact CD2-CG 4.11Å; L27-Q150 HydrophobicContact CG-CG 4.33Å; L27-Q150 PolarHBondContact O-NE2 2.98Å; A146-Q150 WeakPolarHBondContact O-CB 3.46Å; A146-Q150 VanDerWaalsContact O-CG 3.28Å; A146-Q150 WeakPolarHBondContact O-CG 3.08Å; A146-Q150 PolarHBondContact O-N 2.91Å; F147-Q150 PolarHBondContact O-N 3.23Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 3.06Å; Q150-M154 WeakPolarHBondContact O-CB 3.42Å; Q150-M154 VanDerWaalsContact O-CG 3.28Å; Q150-M154 WeakPolarHBondContact O-CG 3.12Å; Q150-M154 PolarHBondContact O-N 3.11Å; Q150-Y246 HydrophobicContact CG-CE2 4.21Å; Q150-Y246 VanDerWaalsContact CG-OH 3.27Å; Q150-Y246 WeakPolarHBondContact CG-OH 3.36Å; Q150-Y246 PolarHBondContact NE2-OH 3.13Å; Q150-Y246 VanDerWaalsContact NE2-OH 3.08Å
151E97Very high96.1Very high78 Ų7858.4 Ų58.436%0.36428%0.276SS..Hα-helixtrans-64.3-44.3175.5-161.3-163.6119.600111F147 Q148 M154 K155F147-E151 WeakPolarHBondContact CE1-OE2 3.24Å; F147-E151 WeakPolarHBondContact O-CB 3.42Å; F147-E151 PolarHBondContact O-N 3.32Å; Q148-E151 PolarHBondContact O-N 2.86Å; E151-M154 PolarHBondContact O-N 3.09Å; E151-K155 WeakPolarHBondContact O-CG 3.34Å; E151-K155 PolarHBondContact O-N 3.01Å; E151-K155 WeakPolarHBondContact OE1-CE 3.22Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 3.37Å
152D97.3Very high96.2Very high64 Ų6457 Ų5734%0.34228%0.277SS..Hα-helixtrans-69.5-39.2179.6-68.8-30.4000112.5Q148 M154 K155 V156Q148-D152 VanDerWaalsContact NE2-CG 3.34Å; Q148-D152 PolarHBondContact NE2-OD1 2.93Å; Q148-D152 PolarHBondContact NE2-OD2 3.37Å; Q148-D152 PolarHBondContact O-N 3.46Å; D152-M154 VanDerWaalsContact C-N 3.3Å; D152-M154 PolarHBondContact O-N 3.05Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 2.81Å; D152-K155 VanDerWaalsContact O-N 3.16Å; D152-K155 WeakPolarHBondContact OD1-CD 3.18Å; D152-K155 IonicContact OD1-NZ 3.81Å; D152-K155 PolarHBondContact OD1-NZ 3.35Å; D152-V156 PolarHBondContact O-N 3.25Å
153L97.5Very high96.3Very high8 Ų858 Ų584%0.04228%0.283CS..Hα-helixtrans-58.7-42.9170.1-177.663.5000111.5L27 L149 K155 V156 L157 V243 Y246L27-L153 HydrophobicContact CD1-CD2 4.34Å; L27-L153 HydrophobicContact CD2-CD2 4.22Å; L149-L153 WeakPolarHBondContact O-CB 3.29Å; L149-L153 PolarHBondContact O-N 3.17Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3.17Å; L153-V156 PolarHBondContact O-N 2.84Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 3.42Å; L153-V243 HydrophobicContact CD1-CB 4.46Å; L153-V243 HydrophobicContact CD1-CG2 3.84Å; L153-Y246 HydrophobicContact CD2-CD1 3.67Å; L153-Y246 HydrophobicContact CD2-CD2 4.47Å; L153-Y246 HydrophobicContact CD2-CE1 4.22Å; L153-Y246 HydrophobicContact CD2-CG 3.82Å
154M96.9Very high96.5Very high23 Ų2354.7 Ų54.711%0.11327%0.268CS..Hα-helixtrans-66.4-31.4176.3-76.2-66.2-20.900113V20 R24 L27 Q150 E151 D152 L157 N158V20-M154 HydrophobicContact CG1-CE 3.72Å; R24-M154 HydrophobicContact CB-SD 4.24Å; L27-M154 HydrophobicContact CD1-CG 4.22Å; L27-M154 HydrophobicContact CD1-SD 4.41Å; Q150-M154 WeakPolarHBondContact O-CB 3.42Å; Q150-M154 VanDerWaalsContact O-CG 3.28Å; Q150-M154 WeakPolarHBondContact O-CG 3.12Å; Q150-M154 PolarHBondContact O-N 3.11Å; E151-M154 PolarHBondContact O-N 3.09Å; D152-M154 VanDerWaalsContact C-N 3.3Å; D152-M154 PolarHBondContact O-N 3.05Å; M154-L157 HydrophobicContact CE-CD1 4.36Å; M154-L157 HydrophobicContact SD-CD1 4.26Å; M154-N158 VanDerWaalsContact O-CG 3.29Å; M154-N158 PolarHBondContact O-N 3.32Å; M154-N158 VanDerWaalsContact O-N 3.12Å; M154-N158 PolarHBondContact O-ND2 3.1Å
155K97.6Very high96.4Very high92 Ų9255.6 Ų55.640%0.427%0.271SS..Hα-helixtrans-62.9-48.4173-71.4166.3-162.6156.10111.3E151 D152 L153 L157 N158 E159E151-K155 WeakPolarHBondContact O-CG 3.34Å; E151-K155 PolarHBondContact O-N 3.01Å; E151-K155 WeakPolarHBondContact OE1-CE 3.22Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 3.37Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 2.81Å; D152-K155 VanDerWaalsContact O-N 3.16Å; D152-K155 WeakPolarHBondContact OD1-CD 3.18Å; D152-K155 IonicContact OD1-NZ 3.81Å; D152-K155 PolarHBondContact OD1-NZ 3.35Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-K155 PolarHBondContact O-N 3.17Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 PolarHBondContact O-N 3.25Å; K155-N158 PolarHBondContact O-N 3.26Å; K155-N158 VanDerWaalsContact O-N 3.11Å; K155-E159 PolarHBondContact O-N 2.75Å
156V97.4Very high96.4Very high33 Ų3354 Ų5420%0.227%0.265CS..Hα-helixtrans-62-39.1-179.3179.70000111.5D152 L153 E159 L160 T239D152-V156 PolarHBondContact O-N 3.25Å; L153-V156 PolarHBondContact O-N 2.84Å; V156-E159 PolarHBondContact O-N 2.87Å; V156-L160 PolarHBondContact O-N 2.77Å; V156-T239 HydrophobicContact CG1-CG2 4.11Å; V156-T239 WeakPolarHBondContact CG1-OG1 3.3Å
157L96.7Very high96.5Very high5 Ų555.8 Ų55.83%0.02627%0.272CS..Hα-helixtrans-63.1-42.4173-66.3169.7000112.5Y16 V20 I23 L153 M154 K155 E159 L160 Y161 T239 V243Y16-L157 WeakPolarHBondContact OH-CA 3.34Å; Y16-L157 WeakPolarHBondContact OH-CD2 3.04Å; Y16-L157 PolarHBondContact OH-O 2.93Å; V20-L157 HydrophobicContact CG1-CD1 4.43Å; V20-L157 HydrophobicContact CG2-CB 4.24Å; V20-L157 HydrophobicContact CG2-CD1 4.46Å; V20-L157 HydrophobicContact CG2-CD2 4.32Å; I23-L157 HydrophobicContact CD1-CD1 4.17Å; I23-L157 HydrophobicContact CD1-CD2 4.39Å; I23-L157 HydrophobicContact CG2-CD1 4.14Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 3.42Å; M154-L157 HydrophobicContact CE-CD1 4.36Å; M154-L157 HydrophobicContact SD-CD1 4.26Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 PolarHBondContact O-N 3.25Å; L157-E159 VanDerWaalsContact C-N 3.31Å; L157-E159 PolarHBondContact O-N 3.26Å; L157-L160 PolarHBondContact O-N 3.07Å; L157-Y161 PolarHBondContact O-N 3.19Å; L157-Y161 VanDerWaalsContact O-N 3.13Å; L157-T239 HydrophobicContact CD2-CG2 3.76Å; L157-V243 HydrophobicContact CD2-CG2 4.42Å
158N95.9Very high96.4Very high85 Ų8550.2 Ų50.246%0.45525%0.248SC..Hα-helixtrans-68.1-28.8176.3-69.6-43.3000112.9M154 K155 T162M154-N158 VanDerWaalsContact O-CG 3.29Å; M154-N158 PolarHBondContact O-N 3.32Å; M154-N158 VanDerWaalsContact O-N 3.12Å; M154-N158 PolarHBondContact O-ND2 3.1Å; K155-N158 PolarHBondContact O-N 3.26Å; K155-N158 VanDerWaalsContact O-N 3.11Å; N158-T162 PolarHBondContact O-N 3.19Å; N158-T162 PolarHBondContact O-OG1 3.32Å
159E97.2Very high96.3Very high111 Ų11150.1 Ų50.152%0.51925%0.248SC..Hα-helixtrans-67.7-50.1172.4-172.4174.4-173.600110.8K155 V156 L157 Y161 T162 V163 T235K155-E159 PolarHBondContact O-N 2.75Å; V156-E159 PolarHBondContact O-N 2.87Å; L157-E159 VanDerWaalsContact C-N 3.31Å; L157-E159 PolarHBondContact O-N 3.26Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 2.99Å; E159-T162 WeakPolarHBondContact O-CA 3.38Å; E159-T162 WeakPolarHBondContact O-CB 3.43Å; E159-T162 PolarHBondContact O-N 3.04Å; E159-V163 HydrophobicContact CG-CG2 4.42Å; E159-V163 WeakPolarHBondContact O-CG2 3.42Å; E159-V163 PolarHBondContact O-N 3.48Å; E159-T235 HydrophobicContact CG-CG2 4.11Å
160L97.1Very high96.2Very high5 Ų551.4 Ų51.43%0.02625%0.251CS..Hα-helixtrans-56.2-42.2177.8-17760.6000112.4Y16 V156 L157 T162 V163 M164 Y232 T235 L236 T239Y16-L160 HydrophobicContact CE2-CD2 3.81Å; Y16-L160 HydrophobicContact CE2-CG 4.41Å; V156-L160 PolarHBondContact O-N 2.77Å; L157-L160 PolarHBondContact O-N 3.07Å; L160-T162 VanDerWaalsContact C-N 3.28Å; L160-T162 PolarHBondContact O-N 3.33Å; L160-V163 PolarHBondContact O-N 2.74Å; L160-M164 WeakPolarHBondContact O-CB 3.43Å; L160-M164 PolarHBondContact O-N 2.89Å; L160-Y232 HydrophobicContact CD1-CD2 3.79Å; L160-Y232 HydrophobicContact CD1-CE2 3.62Å; L160-Y232 HydrophobicContact CG-CE2 4.43Å; L160-T235 HydrophobicContact CB-CG2 4.15Å; L160-T235 HydrophobicContact CD1-CG2 4.02Å; L160-L236 HydrophobicContact CD1-CB 3.98Å; L160-L236 HydrophobicContact CD1-CD1 4.38Å; L160-L236 HydrophobicContact CD2-CD1 3.84Å; L160-T239 HydrophobicContact CD2-CG2 3.78Å
161Y95.9Very high96.1Very high59 Ų5953.5 Ų53.523%0.23126%0.261CS..Hα-helixtrans-52.4-46.5172.2-177.7-93.1000112.6I13 Y16 E17 L157 E159 K165I13-Y161 HydrophobicContact CG2-CE2 3.87Å; Y16-Y161 AromaticContact CD1-CD2 3.97Å; Y16-Y161 HydrophobicContact CD1-CD2 3.97Å; Y16-Y161 HydrophobicContact CE1-CD2 4.18Å; E17-Y161 HydrophobicContact CG-CD2 4.45Å; E17-Y161 HydrophobicContact CG-CE2 3.77Å; E17-Y161 WeakPolarHBondContact OE1-CE2 3.49Å; E17-Y161 PolarHBondContact OE1-OH 3.42Å; L157-Y161 PolarHBondContact O-N 3.19Å; L157-Y161 VanDerWaalsContact O-N 3.13Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 2.99Å; Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 VanDerWaalsContact O-CB 3.27Å; Y161-K165 WeakPolarHBondContact O-CB 3.26Å; Y161-K165 PolarHBondContact O-N 3.47Å
162T96.3Very high95.9Very high80 Ų8051.8 Ų51.849%0.49126%0.257SS..Hα-helixtrans-71.4-41.6-174.7-57.40000111.4N158 E159 L160 T166N158-T162 PolarHBondContact O-N 3.19Å; N158-T162 PolarHBondContact O-OG1 3.32Å; E159-T162 WeakPolarHBondContact O-CA 3.38Å; E159-T162 WeakPolarHBondContact O-CB 3.43Å; E159-T162 PolarHBondContact O-N 3.04Å; L160-T162 VanDerWaalsContact C-N 3.28Å; L160-T162 PolarHBondContact O-N 3.33Å; T162-T166 WeakPolarHBondContact O-CB 3.48Å; T162-T166 PolarHBondContact O-N 2.77Å; T162-T166 VanDerWaalsContact O-N 3.1Å; T162-T166 PolarHBondContact O-OG1 3.02Å
163V96.6Very high95.8Very high26 Ų2652.8 Ų52.816%0.15826%0.26CS..Hα-helixtrans-69.4-43.3176.5-174.40000110.9E159 L160 K165 T166 Y167 E231 T235E159-V163 HydrophobicContact CG-CG2 4.42Å; E159-V163 WeakPolarHBondContact O-CG2 3.42Å; E159-V163 PolarHBondContact O-N 3.48Å; L160-V163 PolarHBondContact O-N 2.74Å; V163-K165 PolarHBondContact O-N 3.02Å; V163-T166 WeakPolarHBondContact O-CB 3.45Å; V163-T166 PolarHBondContact O-N 2.96Å; V163-Y167 PolarHBondContact O-N 3.27Å; V163-E231 HydrophobicContact CG1-CB 3.94Å; V163-T235 HydrophobicContact CG2-CG2 4.27Å
164M95.4Very high95.6Very high2 Ų252.5 Ų52.51%0.0126%0.258CS..Hα-helixtrans-57-48.7174.9179.5176.256.300112I12 I13 Y16 L160 T166 Y167 H168 Y232I12-M164 HydrophobicContact CG2-SD 3.79Å; I13-M164 HydrophobicContact CG1-CE 4.2Å; Y16-M164 HydrophobicContact CD1-CE 3.95Å; Y16-M164 HydrophobicContact CG-CE 3.85Å; L160-M164 WeakPolarHBondContact O-CB 3.43Å; L160-M164 PolarHBondContact O-N 2.89Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 2.7Å; M164-Y167 WeakPolarHBondContact O-CB 3.22Å; M164-Y167 PolarHBondContact O-N 3.19Å; M164-H168 WeakPolarHBondContact CG-CE1 3.27Å; M164-H168 PolarHBondContact O-N 3.31Å; M164-Y232 HydrophobicContact CB-CD2 3.78Å; M164-Y232 HydrophobicContact CB-CE2 3.6Å; M164-Y232 HydrophobicContact CG-CD2 4.37Å; M164-Y232 HydrophobicContact CG-CE2 3.87Å; M164-Y232 HydrophobicContact SD-CE2 4.34Å
165K94.4Very high95.4Very high111 Ų11155.1 Ų55.148%0.48327%0.272SS..Hα-helixtrans-61.4-37.1177.8-173.6173.6-177.3172.20112.2Y161 V163 M169Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 VanDerWaalsContact O-CB 3.27Å; Y161-K165 WeakPolarHBondContact O-CB 3.26Å; Y161-K165 PolarHBondContact O-N 3.47Å; V163-K165 PolarHBondContact O-N 3.02Å; K165-M169 PolarHBondContact O-N 3.33Å; K165-M169 VanDerWaalsContact O-N 3.09Å
166T95.1Very high95.2Very high53 Ų5355.2 Ų55.233%0.32528%0.277SS..Hα-helixtrans-67.7-41.6175.7-58.70000111.8T162 V163 M164 Y170T162-T166 WeakPolarHBondContact O-CB 3.48Å; T162-T166 PolarHBondContact O-N 2.77Å; T162-T166 VanDerWaalsContact O-N 3.1Å; T162-T166 PolarHBondContact O-OG1 3.02Å; V163-T166 WeakPolarHBondContact O-CB 3.45Å; V163-T166 PolarHBondContact O-N 2.96Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 2.7Å; T166-Y170 HydrophobicContact CG2-CD2 3.87Å; T166-Y170 HydrophobicContact CG2-CE2 3.52Å; T166-Y170 VanDerWaalsContact O-CD2 3.31Å; T166-Y170 WeakPolarHBondContact O-CD2 3.47Å; T166-Y170 PolarHBondContact O-N 3.15Å; T166-Y170 VanDerWaalsContact O-N 3.16Å
167Y95.9Very high94.9Very high39 Ų3954.1 Ų54.115%0.15327%0.271CS..Hα-helixtrans-60.5-50.5171.9163.7-116.1000112V163 M164 M169 Y170 H171 R229 Y232V163-Y167 PolarHBondContact O-N 3.27Å; M164-Y167 WeakPolarHBondContact O-CB 3.22Å; M164-Y167 PolarHBondContact O-N 3.19Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 2.9Å; Y167-Y170 PolarHBondContact O-N 3.16Å; Y167-H171 HydrophobicContact CD2-CB 4.37Å; Y167-H171 HydrophobicContact CE2-CB 3.94Å; Y167-H171 VanDerWaalsContact O-CB 3.25Å; Y167-H171 WeakPolarHBondContact O-CB 3.42Å; Y167-H171 PolarHBondContact O-N 3.43Å; Y167-R229 HydrophobicContact CD2-CB 3.55Å; Y167-R229 HydrophobicContact CD2-CG 4.06Å; Y167-R229 HydrophobicContact CE2-CB 3.48Å; Y167-R229 VanDerWaalsContact CE2-CB 3.48Å; Y167-R229 HydrophobicContact CE2-CG 3.63Å; Y167-R229 HydrophobicContact CG-CB 4.43Å; Y167-Y232 HydrophobicContact CD1-CD1 4.14Å
168H94.6Very high94.7Very high14 Ų1456 Ų567%0.06528%0.28CS..Hα-helixtrans-56-44179-68.9162.5000112.3D9 M164 H171 S172D9-H168 HydrophobicContact CB-CB 4.33Å; M164-H168 WeakPolarHBondContact CG-CE1 3.27Å; M164-H168 PolarHBondContact O-N 3.31Å; H168-H171 PolarHBondContact O-N 3.42Å; H168-S172 WeakPolarHBondContact O-CB 3.19Å; H168-S172 PolarHBondContact O-N 2.87Å; H168-S172 PolarHBondContact O-OG 2.75Å
169M94.1Very high94.5Very high92 Ų9254.8 Ų54.845%0.45328%0.278SS..Hα-helixtrans-58.4-56.4175.7-175.9179.970.500112K165 Y167 H171 S172 E173K165-M169 PolarHBondContact O-N 3.33Å; K165-M169 VanDerWaalsContact O-N 3.09Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 2.9Å; M169-H171 VanDerWaalsContact C-N 3.3Å; M169-H171 PolarHBondContact O-N 3.22Å; M169-S172 PolarHBondContact O-N 2.92Å; M169-E173 WeakPolarHBondContact O-CG 3.26Å; M169-E173 PolarHBondContact O-N 3.4Å
170Y95.6Very high94.2Very high73 Ų7355.3 Ų55.329%0.28628%0.279SS..Hα-helixtrans-67.9-28.3-179-67.3-48.4000113.3T166 Y167 E173 S174 K224 A228T166-Y170 HydrophobicContact CG2-CD2 3.87Å; T166-Y170 HydrophobicContact CG2-CE2 3.52Å; T166-Y170 VanDerWaalsContact O-CD2 3.31Å; T166-Y170 WeakPolarHBondContact O-CD2 3.47Å; T166-Y170 PolarHBondContact O-N 3.15Å; T166-Y170 VanDerWaalsContact O-N 3.16Å; Y167-Y170 PolarHBondContact O-N 3.16Å; Y170-E173 PolarHBondContact O-N 2.93Å; Y170-S174 WeakPolarHBondContact O-CB 3.37Å; Y170-S174 PolarHBondContact O-N 2.91Å; Y170-K224 HydrophobicContact CD1-CB 4.3Å; Y170-K224 HydrophobicContact CG-CB 4.25Å; Y170-A228 HydrophobicContact CD2-CB 3.8Å
171H94.1Very high93.9Very high71 Ų7155.4 Ų55.433%0.32928%0.279SS..Hα-helixtrans-66.2-47.2173-16763.1000111.4Y167 H168 M169 E173 S174 I175 S225Y167-H171 HydrophobicContact CD2-CB 4.37Å; Y167-H171 HydrophobicContact CE2-CB 3.94Å; Y167-H171 VanDerWaalsContact O-CB 3.25Å; Y167-H171 WeakPolarHBondContact O-CB 3.42Å; Y167-H171 PolarHBondContact O-N 3.43Å; H168-H171 PolarHBondContact O-N 3.42Å; M169-H171 VanDerWaalsContact C-N 3.3Å; M169-H171 PolarHBondContact O-N 3.22Å; H171-E173 VanDerWaalsContact C-N 3.34Å; H171-E173 PolarHBondContact O-N 2.77Å; H171-S174 WeakPolarHBondContact O-CB 3.41Å; H171-S174 PolarHBondContact O-N 3.38Å; H171-S174 VanDerWaalsContact O-N 3.12Å; H171-I175 WeakPolarHBondContact O-CG1 3.34Å; H171-I175 PolarHBondContact O-N 3.21Å; H171-S225 WeakPolarHBondContact CA-OG 3.45Å; H171-S225 PolarHBondContact ND1-OG 3.47Å
172S93.4Very high93.6Very high41 Ų4157.1 Ų57.129%0.28729%0.288SS..Hα-helixtrans-59.2-42.1171.7-76.10000112.1H168 M169 S174 I175 N176H168-S172 WeakPolarHBondContact O-CB 3.19Å; H168-S172 PolarHBondContact O-N 2.87Å; H168-S172 PolarHBondContact O-OG 2.75Å; M169-S172 PolarHBondContact O-N 2.92Å; S172-S174 VanDerWaalsContact C-N 3.32Å; S172-S174 PolarHBondContact O-N 3Å; S172-I175 PolarHBondContact O-N 2.74Å; S172-N176 VanDerWaalsContact O-CB 3.31Å; S172-N176 WeakPolarHBondContact O-CB 3.44Å; S172-N176 PolarHBondContact O-N 3.09Å; S172-N176 PolarHBondContact O-ND2 3.05Å
173E93.4Very high93.2Very high86 Ų8656.7 Ų56.740%0.40228%0.283SS..Hα-helixtrans-65.1-32.4174-71.4-160.1138.500113.5M169 Y170 H171 A177 N221M169-E173 WeakPolarHBondContact O-CG 3.26Å; M169-E173 PolarHBondContact O-N 3.4Å; Y170-E173 PolarHBondContact O-N 2.93Å; H171-E173 VanDerWaalsContact C-N 3.34Å; H171-E173 PolarHBondContact O-N 2.77Å; E173-A177 WeakPolarHBondContact O-CB 3.22Å; E173-A177 PolarHBondContact O-N 3.13Å; E173-A177 VanDerWaalsContact O-N 3.09Å; E173-N221 PolarHBondContact O-ND2 3.06Å
174S94.1Very high92.6Very high2 Ų255.5 Ų55.51%0.01428%0.276CS..Hα-helixtrans-70.7-46.3175.6-179.20000111.8Y170 H171 S172 N176 A177 E178 K222Y170-S174 WeakPolarHBondContact O-CB 3.37Å; Y170-S174 PolarHBondContact O-N 2.91Å; H171-S174 WeakPolarHBondContact O-CB 3.41Å; H171-S174 PolarHBondContact O-N 3.38Å; H171-S174 VanDerWaalsContact O-N 3.12Å; S172-S174 VanDerWaalsContact C-N 3.32Å; S172-S174 PolarHBondContact O-N 3Å; S174-N176 VanDerWaalsContact C-N 3.33Å; S174-N176 PolarHBondContact O-N 2.95Å; S174-A177 PolarHBondContact O-N 3.19Å; S174-A177 VanDerWaalsContact O-N 3.17Å; S174-E178 WeakPolarHBondContact O-CB 3.32Å; S174-E178 PolarHBondContact O-N 2.61Å; S174-K222 WeakPolarHBondContact OG-CA 3.44Å; S174-K222 WeakPolarHBondContact OG-CD 3.27Å
175I93.1Very high92Very high77 Ų7758.1 Ų58.140%0.39529%0.288SS..Hα-helixtrans-61.6-43.1176-66.8168.4000110.6H171 S172 A177 E178 S179H171-I175 WeakPolarHBondContact O-CG1 3.34Å; H171-I175 PolarHBondContact O-N 3.21Å; S172-I175 PolarHBondContact O-N 2.74Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 2.96Å; I175-E178 PolarHBondContact O-N 2.78Å; I175-S179 PolarHBondContact O-N 3.13Å
176N92.4Very high91.5Very high94 Ų9458.1 Ų58.150%0.50329%0.288SS..Hα-helixtrans-65.5-29176.9-79.8-56.9000113.4S172 S174 K180S172-N176 VanDerWaalsContact O-CB 3.31Å; S172-N176 WeakPolarHBondContact O-CB 3.44Å; S172-N176 PolarHBondContact O-N 3.09Å; S172-N176 PolarHBondContact O-ND2 3.05Å; S174-N176 VanDerWaalsContact C-N 3.33Å; S174-N176 PolarHBondContact O-N 2.95Å; N176-K180 VanDerWaalsContact O-CD 3.29Å; N176-K180 WeakPolarHBondContact O-CD 3.36Å; N176-K180 VanDerWaalsContact O-CG 3.29Å; N176-K180 WeakPolarHBondContact O-CG 3.35Å
177A92Very high90.6Very high11 Ų1160.2 Ų60.29%0.09129%0.294CS..Hα-helixtrans-75.8-40.5170.800000111.6E173 S174 I175 K180 L181 Y218 N221E173-A177 WeakPolarHBondContact O-CB 3.22Å; E173-A177 PolarHBondContact O-N 3.13Å; E173-A177 VanDerWaalsContact O-N 3.09Å; S174-A177 PolarHBondContact O-N 3.19Å; S174-A177 VanDerWaalsContact O-N 3.17Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 2.96Å; A177-K180 PolarHBondContact O-N 3.45Å; A177-L181 PolarHBondContact O-N 3.11Å; A177-Y218 HydrophobicContact CB-CD2 4.45Å; A177-N221 HydrophobicContact CB-CB 4.39Å
178E92.4Very high89.5Confident43 Ų4360.3 Ų60.320%0.20130%0.296CS..Hα-helixtrans-63.2-42.1179.3-159.1-178.4123.300112.3S174 I175 L181 K182 Y218 K222S174-E178 WeakPolarHBondContact O-CB 3.32Å; S174-E178 PolarHBondContact O-N 2.61Å; I175-E178 PolarHBondContact O-N 2.78Å; E178-L181 WeakPolarHBondContact O-CB 3.42Å; E178-L181 PolarHBondContact O-N 3.02Å; E178-K182 HydrophobicContact CG-CD 4.4Å; E178-K182 WeakPolarHBondContact O-CG 3.35Å; E178-K182 PolarHBondContact O-N 2.88Å; E178-K182 IonicContact OE1-NZ 2.78Å; E178-K182 PolarHBondContact OE1-NZ 3.46Å; E178-Y218 HydrophobicContact CB-CD2 3.67Å; E178-Y218 HydrophobicContact CB-CE2 3.52Å; E178-Y218 HydrophobicContact CG-CD2 3.98Å; E178-Y218 HydrophobicContact CG-CE2 3.48Å; E178-Y218 VanDerWaalsContact CG-CE2 3.48Å; E178-Y218 WeakPolarHBondContact OE2-CE2 3.39Å; E178-Y218 PolarHBondContact OE2-OH 3.48Å; E178-K222 IonicContact OE2-NZ 2.9Å; E178-K222 PolarHBondContact OE2-NZ 3.25Å
179S92.3Very high88.3Confident60 Ų6065.9 Ų65.942%0.4232%0.322SS..Hα-helixtrans-60.9-47.4173.3-168.30000111I175 L181 K182 D183I175-S179 PolarHBondContact O-N 3.13Å; S179-L181 VanDerWaalsContact C-N 3.28Å; S179-L181 PolarHBondContact O-N 2.82Å; S179-K182 PolarHBondContact O-N 3.44Å; S179-K182 VanDerWaalsContact O-N 3.16Å; S179-D183 WeakPolarHBondContact O-CB 3.21Å; S179-D183 PolarHBondContact O-N 2.8Å; S179-D183 PolarHBondContact OG-OD2 2.68Å
180K91.2Very high87.1Confident123 Ų12369.2 Ų69.254%0.53533%0.334SS..Hα-helixtrans-64.1-33.7-179.6-70.4169.9-172170.70112N176 A177 A184 R214N176-K180 VanDerWaalsContact O-CD 3.29Å; N176-K180 WeakPolarHBondContact O-CD 3.36Å; N176-K180 VanDerWaalsContact O-CG 3.29Å; N176-K180 WeakPolarHBondContact O-CG 3.35Å; A177-K180 PolarHBondContact O-N 3.45Å; K180-A184 PolarHBondContact O-N 3.37Å; K180-R214 WeakPolarHBondContact O-CD 3.49Å; K180-R214 PolarHBondContact O-NH1 3.47Å
181L89.6Confident85.5Confident7 Ų769 Ų694%0.03734%0.336CS..Hα-helixtrans-63.2-54.1170.7170.264000110.9A177 E178 S179 D183 A184 E185 K211 R214 Q215 Y218A177-L181 PolarHBondContact O-N 3.11Å; E178-L181 WeakPolarHBondContact O-CB 3.42Å; E178-L181 PolarHBondContact O-N 3.02Å; S179-L181 VanDerWaalsContact C-N 3.28Å; S179-L181 PolarHBondContact O-N 2.82Å; L181-D183 PolarHBondContact O-N 3.34Å; L181-A184 WeakPolarHBondContact O-CA 3.41Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 2.84Å; L181-E185 HydrophobicContact CD1-CG 4.24Å; L181-E185 PolarHBondContact O-N 2.97Å; L181-K211 HydrophobicContact CD1-CG 4.31Å; L181-R214 HydrophobicContact CB-CB 4.44Å; L181-R214 HydrophobicContact CD1-CB 4.36Å; L181-Q215 HydrophobicContact CD1-CB 4.14Å; L181-Y218 HydrophobicContact CD2-CD1 3.56Å; L181-Y218 HydrophobicContact CD2-CE1 4.26Å; L181-Y218 HydrophobicContact CD2-CG 3.9Å
182K89.4Confident83.9Confident95 Ų9571.1 Ų71.141%0.41335%0.348SS..Hα-helixtrans-57.8-32.1177.8-74.3168.3172.8170.90113.3E178 S179 A184 E185 K186E178-K182 HydrophobicContact CG-CD 4.4Å; E178-K182 WeakPolarHBondContact O-CG 3.35Å; E178-K182 PolarHBondContact O-N 2.88Å; E178-K182 IonicContact OE1-NZ 2.78Å; E178-K182 PolarHBondContact OE1-NZ 3.46Å; S179-K182 PolarHBondContact O-N 3.44Å; S179-K182 VanDerWaalsContact O-N 3.16Å; K182-A184 VanDerWaalsContact C-N 3.35Å; K182-E185 WeakPolarHBondContact CA-OE2 3.45Å; K182-K186 WeakPolarHBondContact O-CB 3.45Å; K182-K186 WeakPolarHBondContact O-CD 3.48Å; K182-K186 VanDerWaalsContact O-CG 3.23Å; K182-K186 WeakPolarHBondContact O-CG 2.97Å; K182-K186 PolarHBondContact O-N 2.85Å; K182-K186 VanDerWaalsContact O-N 3.07Å
183D87.4Confident82.1Confident71 Ų7172.4 Ų72.438%0.3837%0.368SS..Hα-helixtrans-75.5-19.6174.5-64.4-35.3000113.5S179 L181 Q187S179-D183 WeakPolarHBondContact O-CB 3.21Å; S179-D183 PolarHBondContact O-N 2.8Å; S179-D183 PolarHBondContact OG-OD2 2.68Å; L181-D183 PolarHBondContact O-N 3.34Å; D183-Q187 WeakPolarHBondContact O-CG 3.4Å; D183-Q187 PolarHBondContact O-NE2 3.05Å
184A84.1Confident80.3Confident1 Ų178 Ų781%0.00839%0.385CS..Hα-helixtrans-84.6-39.8169.300000112.1K180 L181 K182 K186 Q187 E188 K211K180-A184 PolarHBondContact O-N 3.37Å; L181-A184 WeakPolarHBondContact O-CA 3.41Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 2.84Å; K182-A184 VanDerWaalsContact C-N 3.35Å; A184-K186 VanDerWaalsContact C-N 3.34Å; A184-K186 PolarHBondContact O-N 3.18Å; A184-Q187 WeakPolarHBondContact O-CA 3.23Å; A184-Q187 WeakPolarHBondContact O-CB 3.3Å; A184-Q187 PolarHBondContact O-N 3.25Å; A184-E188 PolarHBondContact O-N 2.84Å; A184-K211 HydrophobicContact CB-CB 4.39Å
185E83.3Confident78.3Confident57 Ų5782.2 Ų82.227%0.26643%0.429SS..Hα-helixtrans-57.7-47.6174-65.8168.4148.500110.1L181 K182 Q187 E188 E189 K211L181-E185 HydrophobicContact CD1-CG 4.24Å; L181-E185 PolarHBondContact O-N 2.97Å; K182-E185 WeakPolarHBondContact CA-OE2 3.45Å; E185-Q187 PolarHBondContact O-N 2.81Å; E185-Q187 VanDerWaalsContact O-N 3.11Å; E185-E188 WeakPolarHBondContact O-CB 3.43Å; E185-E188 PolarHBondContact O-N 3.3Å; E185-E188 VanDerWaalsContact O-N 3.15Å; E185-E189 WeakPolarHBondContact O-CG 3.38Å; E185-E189 PolarHBondContact O-N 3.27Å; E185-K211 HydrophobicContact CG-CD 4.2Å; E185-K211 HydrophobicContact CG-CG 4.43Å
186K83.9Confident76.5Confident110 Ų11083.5 Ų83.548%0.47844%0.436SS..Hα-helixtrans-65.5-10.8172.1-68.9170-174.3171.90115.3K182 A184 K190K182-K186 WeakPolarHBondContact O-CB 3.45Å; K182-K186 WeakPolarHBondContact O-CD 3.48Å; K182-K186 VanDerWaalsContact O-CG 3.23Å; K182-K186 WeakPolarHBondContact O-CG 2.97Å; K182-K186 PolarHBondContact O-N 2.85Å; K182-K186 VanDerWaalsContact O-N 3.07Å; A184-K186 VanDerWaalsContact C-N 3.34Å; A184-K186 PolarHBondContact O-N 3.18Å; K186-K190 WeakPolarHBondContact O-CD 3.38Å; K186-K190 WeakPolarHBondContact O-CE 3.36Å; K186-K190 WeakPolarHBondContact O-CG 3.35Å
187Q76.4Confident74.7Confident98 Ų9883.9 Ų83.946%0.45844%0.444SS..Hα-helixtrans-93.7-31.9173.8-78170.57.700111.7D183 A184 E185D183-Q187 WeakPolarHBondContact O-CG 3.4Å; D183-Q187 PolarHBondContact O-NE2 3.05Å; A184-Q187 WeakPolarHBondContact O-CA 3.23Å; A184-Q187 WeakPolarHBondContact O-CB 3.3Å; A184-Q187 PolarHBondContact O-N 3.25Å; E185-Q187 PolarHBondContact O-N 2.81Å; E185-Q187 VanDerWaalsContact O-N 3.11Å
188E72.6Confident72.9Confident40 Ų4089.3 Ų89.319%0.18748%0.476CS..Hα-helixtrans-69.3-52.2172.3177.6-167.1-125.200111.1A184 E185 K190 Q191 I192 I207 K211A184-E188 PolarHBondContact O-N 2.84Å; E185-E188 WeakPolarHBondContact O-CB 3.43Å; E185-E188 PolarHBondContact O-N 3.3Å; E185-E188 VanDerWaalsContact O-N 3.15Å; E188-K190 PolarHBondContact O-N 3.06Å; E188-K190 VanDerWaalsContact O-N 3.13Å; E188-Q191 PolarHBondContact O-N 2.79Å; E188-I192 HydrophobicContact CG-CD1 3.96Å; E188-I192 PolarHBondContact O-N 2.88Å; E188-I192 VanDerWaalsContact O-N 3.1Å; E188-I207 HydrophobicContact CB-CG2 3.91Å; E188-K211 WeakPolarHBondContact OE1-CD 3.38Å; E188-K211 IonicContact OE1-NZ 2.62Å; E188-K211 PolarHBondContact OE1-NZ 3.36Å; E188-K211 WeakPolarHBondContact OE2-CD 3.16Å; E188-K211 WeakPolarHBondContact OE2-CE 3.44Å; E188-K211 IonicContact OE2-NZ 2.91Å; E188-K211 PolarHBondContact OE2-NZ 3.12Å
189E70.5Confident71Confident132 Ų13295.5 Ų95.562%0.61750%0.502SS*.Hα-helixtrans-51.1-38.7174.5-71.4175.4155.700112.4E185 Q191E185-E189 WeakPolarHBondContact O-CG 3.38Å; E185-E189 PolarHBondContact O-N 3.27Å; E189-Q191 VanDerWaalsContact C-N 3.29Å; E189-Q191 PolarHBondContact O-N 2.79Å
190K68.4Low69.3Low161 Ų16194.1 Ų94.170%0.749%0.492SS*.Hα-helixtrans-74.7-11.1-179.8-74.4179.6-172177.40114.8K186 E188K186-K190 WeakPolarHBondContact O-CD 3.38Å; K186-K190 WeakPolarHBondContact O-CE 3.36Å; K186-K190 WeakPolarHBondContact O-CG 3.35Å; E188-K190 PolarHBondContact O-N 3.06Å; E188-K190 VanDerWaalsContact O-N 3.13Å
191Q62.3Low67.7Low70 Ų7092.2 Ų92.233%0.32749%0.487SS..Hα-helixtrans-106.7-32.4177.6-67.1-168.329.200112.7E188 E189 G193 R194 I207E188-Q191 PolarHBondContact O-N 2.79Å; E189-Q191 VanDerWaalsContact C-N 3.29Å; E189-Q191 PolarHBondContact O-N 2.79Å; Q191-G193 PolarHBondContact O-N 3.16Å; Q191-G193 VanDerWaalsContact O-N 3.14Å; Q191-R194 PolarHBondContact O-N 2.96Å; Q191-R194 VanDerWaalsContact O-N 3.14Å; Q191-I207 HydrophobicContact CG-CD1 4.41Å
192I59Low66.3Low115 Ų115102.4 Ų102.459%0.5953%0.525SS*.Hα-helixtrans-55.8-30.2170.7-65.8167.8000111.2E188 R194E188-I192 HydrophobicContact CG-CD1 3.96Å; E188-I192 PolarHBondContact O-N 2.88Å; E188-I192 VanDerWaalsContact O-N 3.1Å; I192-R194 VanDerWaalsContact C-N 3.34Å; I192-R194 PolarHBondContact O-N 3.35Å
193G56.7Low64.9Low68 Ų68102.7 Ų102.770%0.70153%0.529SS*.THydrogen-bonded Turntrans-77.59.7177.200000117.7Q191Q191-G193 PolarHBondContact O-N 3.16Å; Q191-G193 VanDerWaalsContact O-N 3.14Å
194R54.3Low63.7Low203 Ų203103.1 Ų103.177%0.76653%0.529SS*.SBendtrans-124.3113.8175.4-74-168.8-179.8-91.92.2112.4Q191 I192 D196Q191-R194 PolarHBondContact O-N 2.96Å; Q191-R194 VanDerWaalsContact O-N 3.14Å; I192-R194 VanDerWaalsContact C-N 3.34Å; I192-R194 PolarHBondContact O-N 3.35Å; R194-D196 PolarHBondContact O-N 3.19Å
195G53.3Low63.1Low90 Ų90109.4 Ų109.493%0.92856%0.556SS**  trans-80.2104.8-179.800000114.2
196D54.9Low62.7Low104 Ų104113.2 Ų113.256%0.55657%0.572SS**  trans-149.3112.5150.4-171.9-15.1000108.4R194 V198 S200R194-D196 PolarHBondContact O-N 3.19Å; D196-V198 PolarHBondContact O-N 2.95Å; D196-S200 WeakPolarHBondContact O-CB 3.45Å
197P54.1Low62.2Low102 Ų102109 Ų10966%0.66256%0.555SS**Hα-helixtrans-65.7-30.4-159.8-2534.7000116.3I201P197-I201 VanDerWaalsContact O-CD1 3.27Å; P197-I201 WeakPolarHBondContact O-CD1 3.47Å; P197-I201 WeakPolarHBondContact O-CG1 3.41Å
198V55.6Low62.3Low125 Ų125109.6 Ų109.676%0.75856%0.557SS**Hα-helixtrans-94.6-35.5-164.3-176.40000112.8D196D196-V198 PolarHBondContact O-N 2.95Å
199F52.8Low62.7Low173 Ų173114.6 Ų114.676%0.75958%0.578SS**Hα-helixtrans-82.7-28.7179.2-124.3-90.9000112.9
200S54.8Low63.3Low31 Ų31111.6 Ų111.622%0.21757%0.566CS.*Hα-helixtrans-63.5-46.8-175.9-159.30000112.5D196 R202 M203 E204D196-S200 WeakPolarHBondContact O-CB 3.45Å; S200-R202 PolarHBondContact O-N 2.85Å; S200-M203 WeakPolarHBondContact O-CA 3.25Å; S200-M203 PolarHBondContact O-N 3.46Å; S200-E204 VanDerWaalsContact O-CB 3.31Å; S200-E204 WeakPolarHBondContact O-CB 3.27Å; S200-E204 PolarHBondContact O-N 3.01Å
201I59.3Low64.1Low83 Ų83106.7 Ų106.743%0.42655%0.545SS..Hα-helixtrans-52.5-29.9-175.2-62.3169.2000113.4P197 K205P197-I201 VanDerWaalsContact O-CD1 3.27Å; P197-I201 WeakPolarHBondContact O-CD1 3.47Å; P197-I201 WeakPolarHBondContact O-CG1 3.41Å; I201-K205 HydrophobicContact CG2-CD 4.21Å; I201-K205 WeakPolarHBondContact O-CB 3.41Å; I201-K205 WeakPolarHBondContact O-CG 3.42Å; I201-K205 PolarHBondContact O-N 2.92Å
202R59.7Low65.2Low221 Ų221109.7 Ų109.783%0.83456%0.558SS**Hα-helixtrans-85.6-26.8179.6-163.7176.8-175.8-173.42.3113.6S200S200-R202 PolarHBondContact O-N 2.85Å
203M60.5Low66.7Low101 Ų101112.2 Ų112.250%0.49857%0.565SS.*Hα-helixtrans-76.7-46.9169-80.3-74.1-134.200110.5S200 K206 I207S200-M203 WeakPolarHBondContact O-CA 3.25Å; S200-M203 PolarHBondContact O-N 3.46Å; M203-K206 WeakPolarHBondContact O-CA 3.43Å; M203-K206 WeakPolarHBondContact O-CB 3.45Å; M203-K206 PolarHBondContact O-N 3.37Å; M203-I207 WeakPolarHBondContact O-CG1 3.27Å; M203-I207 PolarHBondContact O-N 2.79Å
204E62.2Low68.2Low81 Ų81112.6 Ų112.638%0.37955%0.546SS..Hα-helixtrans-51.6-59.7178.9-173.6171.8-135.200111.3S200 K206 I207 E208S200-E204 VanDerWaalsContact O-CB 3.31Å; S200-E204 WeakPolarHBondContact O-CB 3.27Å; S200-E204 PolarHBondContact O-N 3.01Å; E204-K206 PolarHBondContact O-N 2.98Å; E204-I207 PolarHBondContact O-N 2.86Å; E204-E208 VanDerWaalsContact O-CB 3.31Å; E204-E208 WeakPolarHBondContact O-CB 3.48Å; E204-E208 PolarHBondContact O-N 3.42Å
205K70.4Confident70Confident132 Ų132106.7 Ų106.757%0.57453%0.527SS*.Hα-helixtrans-59.3-21.4176.2-71.7178.6177.5-179.40114.7I201 K209I201-K205 HydrophobicContact CG2-CD 4.21Å; I201-K205 WeakPolarHBondContact O-CB 3.41Å; I201-K205 WeakPolarHBondContact O-CG 3.42Å; I201-K205 PolarHBondContact O-N 2.92Å; K205-K209 WeakPolarHBondContact O-CB 3.31Å; K205-K209 PolarHBondContact O-N 2.89Å
206K74.5Confident71.8Confident138 Ų138105.4 Ų105.460%0.651%0.507SS*.Hα-helixtrans-81.8-35.8174.9-173.7-177.3177.2-174.40111.4M203 E204 I210M203-K206 WeakPolarHBondContact O-CA 3.43Å; M203-K206 WeakPolarHBondContact O-CB 3.45Å; M203-K206 PolarHBondContact O-N 3.37Å; E204-K206 PolarHBondContact O-N 2.98Å; K206-I210 HydrophobicContact CG-CD1 4.46Å; K206-I210 WeakPolarHBondContact O-CD1 3.39Å; K206-I210 VanDerWaalsContact O-CG1 3.24Å; K206-I210 WeakPolarHBondContact O-CG1 3.38Å; K206-I210 PolarHBondContact O-N 2.86Å
207I73.9Confident73.5Confident22 Ų22106.3 Ų106.311%0.11351%0.506CS..Hα-helixtrans-77.6-43.3177.8-68.6166.6000110.5E188 Q191 M203 E204 K209 I210 K211E188-I207 HydrophobicContact CB-CG2 3.91Å; Q191-I207 HydrophobicContact CG-CD1 4.41Å; M203-I207 WeakPolarHBondContact O-CG1 3.27Å; M203-I207 PolarHBondContact O-N 2.79Å; E204-I207 PolarHBondContact O-N 2.86Å; I207-K209 VanDerWaalsContact C-N 3.32Å; I207-K209 PolarHBondContact O-N 3.12Å; I207-I210 CarbonylContact O-C 3.5Å; I207-I210 WeakPolarHBondContact O-CA 3.31Å; I207-I210 WeakPolarHBondContact O-CB 3.2Å; I207-I210 PolarHBondContact O-N 3.42Å; I207-K211 WeakPolarHBondContact O-CB 3.31Å; I207-K211 PolarHBondContact O-N 2.9Å
208E78Confident75.4Confident109 Ų109103.4 Ų103.451%0.50948%0.482SS..Hα-helixtrans-50-50.9169.7-176.2-179.2-147.400110.7E204 I210 K211 E212E204-E208 VanDerWaalsContact O-CB 3.31Å; E204-E208 WeakPolarHBondContact O-CB 3.48Å; E204-E208 PolarHBondContact O-N 3.42Å; E208-I210 VanDerWaalsContact C-N 3.3Å; E208-I210 PolarHBondContact O-N 3.01Å; E208-K211 CarbonylContact O-C 3.6Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.96Å; E208-E212 WeakPolarHBondContact O-CB 3.47Å; E208-E212 PolarHBondContact O-N 3.26Å
209K82.5Confident77.2Confident145 Ų145100.2 Ų100.263%0.6347%0.465SS*.Hα-helixtrans-66.3-25.5175.6-170163.1-171.9161.70114.5K205 I207 K213K205-K209 WeakPolarHBondContact O-CB 3.31Å; K205-K209 PolarHBondContact O-N 2.89Å; I207-K209 VanDerWaalsContact C-N 3.32Å; I207-K209 PolarHBondContact O-N 3.12Å; K209-K213 WeakPolarHBondContact O-CB 3.44Å; K209-K213 PolarHBondContact O-N 3.29Å
210I82.8Confident79.1Confident70 Ų7096.6 Ų96.636%0.35945%0.451SS..Hα-helixtrans-76.6-41.1172.1-73.2164.7000110.4K206 I207 E208 K213 R214K206-I210 HydrophobicContact CG-CD1 4.46Å; K206-I210 WeakPolarHBondContact O-CD1 3.39Å; K206-I210 VanDerWaalsContact O-CG1 3.24Å; K206-I210 WeakPolarHBondContact O-CG1 3.38Å; K206-I210 PolarHBondContact O-N 2.86Å; I207-I210 CarbonylContact O-C 3.5Å; I207-I210 WeakPolarHBondContact O-CA 3.31Å; I207-I210 WeakPolarHBondContact O-CB 3.2Å; I207-I210 PolarHBondContact O-N 3.42Å; E208-I210 VanDerWaalsContact C-N 3.3Å; E208-I210 PolarHBondContact O-N 3.01Å; I210-K213 PolarHBondContact O-N 3.41Å; I210-R214 VanDerWaalsContact O-CG 3.31Å; I210-R214 WeakPolarHBondContact O-CG 3.42Å; I210-R214 PolarHBondContact O-N 3.26Å
211K83.8Confident81Confident58 Ų5895.6 Ų95.625%0.25244%0.443SS..Hα-helixtrans-63.1-49.8174.2173.1-177.9165-173.60110.6L181 A184 E185 E188 I207 E208 K213 R214 Q215L181-K211 HydrophobicContact CD1-CG 4.31Å; A184-K211 HydrophobicContact CB-CB 4.39Å; E185-K211 HydrophobicContact CG-CD 4.2Å; E185-K211 HydrophobicContact CG-CG 4.43Å; E188-K211 WeakPolarHBondContact OE1-CD 3.38Å; E188-K211 IonicContact OE1-NZ 2.62Å; E188-K211 PolarHBondContact OE1-NZ 3.36Å; E188-K211 WeakPolarHBondContact OE2-CD 3.16Å; E188-K211 WeakPolarHBondContact OE2-CE 3.44Å; E188-K211 IonicContact OE2-NZ 2.91Å; E188-K211 PolarHBondContact OE2-NZ 3.12Å; I207-K211 WeakPolarHBondContact O-CB 3.31Å; I207-K211 PolarHBondContact O-N 2.9Å; E208-K211 CarbonylContact O-C 3.6Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.96Å; K211-K213 VanDerWaalsContact C-N 3.32Å; K211-K213 PolarHBondContact O-N 3.02Å; K211-R214 CarbonylContact O-C 3.52Å; K211-R214 WeakPolarHBondContact O-CA 3.16Å; K211-R214 PolarHBondContact O-N 3.03Å; K211-Q215 WeakPolarHBondContact O-CB 3.38Å; K211-Q215 PolarHBondContact O-N 3.2Å
212E87.1Confident82.7Confident132 Ų13294.8 Ų94.862%0.61744%0.436SS*.Hα-helixtrans-52.3-48173.6-176.2-170-149.400111.5E208 R214 Q215 A216E208-E212 WeakPolarHBondContact O-CB 3.47Å; E208-E212 PolarHBondContact O-N 3.26Å; E212-R214 VanDerWaalsContact C-N 3.34Å; E212-R214 PolarHBondContact O-N 2.77Å; E212-Q215 WeakPolarHBondContact O-CB 3.22Å; E212-Q215 PolarHBondContact O-N 3.21Å; E212-A216 WeakPolarHBondContact O-CB 3.25Å; E212-A216 PolarHBondContact O-N 3.47Å
213K88.7Confident84.4Confident168 Ų16888.9 Ų88.973%0.7342%0.421SS*.Hα-helixtrans-65.4-33.4176.7-173.8169.8-178.2173.10113.3K209 I210 K211 K217K209-K213 WeakPolarHBondContact O-CB 3.44Å; K209-K213 PolarHBondContact O-N 3.29Å; I210-K213 PolarHBondContact O-N 3.41Å; K211-K213 VanDerWaalsContact C-N 3.32Å; K211-K213 PolarHBondContact O-N 3.02Å; K213-K217 PolarHBondContact O-N 2.78Å
214R89.8Confident86Confident77 Ų7787.8 Ų87.829%0.29141%0.413SS..Hα-helixtrans-74.9-35.8173.8-70.5-177.1-164.6-173.87.2111.9K180 L181 I210 K211 E212 K217 Y218K180-R214 WeakPolarHBondContact O-CD 3.49Å; K180-R214 PolarHBondContact O-NH1 3.47Å; L181-R214 HydrophobicContact CB-CB 4.44Å; L181-R214 HydrophobicContact CD1-CB 4.36Å; I210-R214 VanDerWaalsContact O-CG 3.31Å; I210-R214 WeakPolarHBondContact O-CG 3.42Å; I210-R214 PolarHBondContact O-N 3.26Å; K211-R214 CarbonylContact O-C 3.52Å; K211-R214 WeakPolarHBondContact O-CA 3.16Å; K211-R214 PolarHBondContact O-N 3.03Å; E212-R214 VanDerWaalsContact C-N 3.34Å; E212-R214 PolarHBondContact O-N 2.77Å; R214-K217 PolarHBondContact O-N 3.4Å; R214-Y218 WeakPolarHBondContact O-CB 3.32Å; R214-Y218 PolarHBondContact O-N 3.07Å
215Q90.7Very high87.7Confident79 Ų7984.2 Ų84.237%0.36940%0.397SS..Hα-helixtrans-63-49.6174.8179.26512.200110.4L181 K211 E212 K217 Y218 S219L181-Q215 HydrophobicContact CD1-CB 4.14Å; K211-Q215 WeakPolarHBondContact O-CB 3.38Å; K211-Q215 PolarHBondContact O-N 3.2Å; E212-Q215 WeakPolarHBondContact O-CB 3.22Å; E212-Q215 PolarHBondContact O-N 3.21Å; Q215-K217 PolarHBondContact O-N 2.92Å; Q215-Y218 PolarHBondContact O-N 3.38Å; Q215-S219 WeakPolarHBondContact O-CB 3.33Å; Q215-S219 PolarHBondContact O-N 3.41Å; Q215-S219 PolarHBondContact O-OG 3.07Å
216A91.5Very high88.9Confident62 Ų6281.3 Ų81.351%0.51239%0.387SS..Hα-helixtrans-57.2-46.9175.700000111.8E212 S219 E220E212-A216 WeakPolarHBondContact O-CB 3.25Å; E212-A216 PolarHBondContact O-N 3.47Å; A216-S219 PolarHBondContact O-N 2.98Å; A216-E220 WeakPolarHBondContact O-CB 3.47Å; A216-E220 PolarHBondContact O-N 3.12Å
217K91.6Very high89.9Confident124 Ų12480.9 Ų80.954%0.53939%0.385SS..Hα-helixtrans-69-33.6177.6-176.5158-175.4158.10113.4K213 R214 Q215 N221K213-K217 PolarHBondContact O-N 2.78Å; R214-K217 PolarHBondContact O-N 3.4Å; Q215-K217 PolarHBondContact O-N 2.92Å; K217-N221 WeakPolarHBondContact O-CB 3.37Å; K217-N221 PolarHBondContact O-N 2.89Å
218Y93.2Very high91Very high41 Ų4180.3 Ų80.316%0.16138%0.384CS..Hα-helixtrans-64.2-49.7171.6166.6-113.4000110.7A177 E178 L181 R214 Q215 E220 N221 K222A177-Y218 HydrophobicContact CB-CD2 4.45Å; E178-Y218 HydrophobicContact CB-CD2 3.67Å; E178-Y218 HydrophobicContact CB-CE2 3.52Å; E178-Y218 HydrophobicContact CG-CD2 3.98Å; E178-Y218 HydrophobicContact CG-CE2 3.48Å; E178-Y218 VanDerWaalsContact CG-CE2 3.48Å; E178-Y218 WeakPolarHBondContact OE2-CE2 3.39Å; E178-Y218 PolarHBondContact OE2-OH 3.48Å; L181-Y218 HydrophobicContact CD2-CD1 3.56Å; L181-Y218 HydrophobicContact CD2-CE1 4.26Å; L181-Y218 HydrophobicContact CD2-CG 3.9Å; R214-Y218 WeakPolarHBondContact O-CB 3.32Å; R214-Y218 PolarHBondContact O-N 3.07Å; Q215-Y218 PolarHBondContact O-N 3.38Å; Y218-E220 VanDerWaalsContact C-N 3.33Å; Y218-E220 PolarHBondContact O-N 3.07Å; Y218-N221 PolarHBondContact O-N 3.49Å; Y218-K222 HydrophobicContact CE2-CB 4.23Å; Y218-K222 HydrophobicContact CE2-CD 3.74Å; Y218-K222 HydrophobicContact CE2-CG 4.3Å; Y218-K222 VanDerWaalsContact O-CB 3.22Å; Y218-K222 WeakPolarHBondContact O-CB 3.19Å; Y218-K222 PolarHBondContact O-N 3.18Å; Y218-K222 WeakPolarHBondContact OH-CE 3.34Å; Y218-K222 PolarHBondContact OH-NZ 2.86Å
219S93Very high91.9Very high58 Ų5880.4 Ų80.441%0.40638%0.38SS..Hα-helixtrans-57.9-42.1176.3-650000112.6Q215 A216 K222 L223Q215-S219 WeakPolarHBondContact O-CB 3.33Å; Q215-S219 PolarHBondContact O-N 3.41Å; Q215-S219 PolarHBondContact O-OG 3.07Å; A216-S219 PolarHBondContact O-N 2.98Å; S219-K222 PolarHBondContact O-N 3.41Å; S219-L223 WeakPolarHBondContact O-CB 3.33Å; S219-L223 PolarHBondContact O-N 2.96Å
220E93.9Very high92.7Very high96 Ų9676.9 Ų76.945%0.44937%0.368SS..Hα-helixtrans-60.7-52.5175.1-169.1-159.2152.300111.7A216 Y218 K222 L223 K224A216-E220 WeakPolarHBondContact O-CB 3.47Å; A216-E220 PolarHBondContact O-N 3.12Å; Y218-E220 VanDerWaalsContact C-N 3.33Å; Y218-E220 PolarHBondContact O-N 3.07Å; E220-K222 VanDerWaalsContact C-N 3.34Å; E220-K222 PolarHBondContact O-N 3.08Å; E220-L223 PolarHBondContact O-N 3.37Å; E220-K224 WeakPolarHBondContact O-CG 3.22Å; E220-K224 PolarHBondContact O-N 3.5Å; E220-K224 WeakPolarHBondContact OE1-CE 3.47Å; E220-K224 IonicContact OE1-NZ 3.56Å; E220-K224 PolarHBondContact OE1-NZ 3.12Å
221N93.8Very high93.4Very high10 Ų1078.5 Ų78.55%0.05337%0.374CS..Hα-helixtrans-67.1-34.4179.5-77.113.1000112.1E173 A177 K217 Y218 K224 S225E173-N221 PolarHBondContact O-ND2 3.06Å; A177-N221 HydrophobicContact CB-CB 4.39Å; K217-N221 WeakPolarHBondContact O-CB 3.37Å; K217-N221 PolarHBondContact O-N 2.89Å; Y218-N221 PolarHBondContact O-N 3.49Å; N221-K224 PolarHBondContact O-N 3.37Å; N221-S225 WeakPolarHBondContact O-CB 3.43Å; N221-S225 PolarHBondContact O-N 3.23Å
222K94.4Very high94Very high66 Ų6678 Ų7829%0.28737%0.371SS..Hα-helixtrans-65.1-43.2175.2-161.371.2160.5-154.60110.6S174 E178 Y218 S219 E220 S225 I226S174-K222 WeakPolarHBondContact OG-CA 3.44Å; S174-K222 WeakPolarHBondContact OG-CD 3.27Å; E178-K222 IonicContact OE2-NZ 2.9Å; E178-K222 PolarHBondContact OE2-NZ 3.25Å; Y218-K222 HydrophobicContact CE2-CB 4.23Å; Y218-K222 HydrophobicContact CE2-CD 3.74Å; Y218-K222 HydrophobicContact CE2-CG 4.3Å; Y218-K222 VanDerWaalsContact O-CB 3.22Å; Y218-K222 WeakPolarHBondContact O-CB 3.19Å; Y218-K222 PolarHBondContact O-N 3.18Å; Y218-K222 WeakPolarHBondContact OH-CE 3.34Å; Y218-K222 PolarHBondContact OH-NZ 2.86Å; S219-K222 PolarHBondContact O-N 3.41Å; E220-K222 VanDerWaalsContact C-N 3.34Å; E220-K222 PolarHBondContact O-N 3.08Å; K222-S225 PolarHBondContact O-N 2.87Å; K222-I226 HydrophobicContact CG-CD1 4.16Å; K222-I226 WeakPolarHBondContact O-CB 3.38Å; K222-I226 VanDerWaalsContact O-CG1 3.26Å; K222-I226 WeakPolarHBondContact O-CG1 3.42Å; K222-I226 PolarHBondContact O-N 3.46Å
223L95.2Very high94.5Very high98 Ų9876 Ų7651%0.51336%0.364SS..Hα-helixtrans-65.3-40.6175.5-177.259.8000111.9S219 E220 I226 K227S219-L223 WeakPolarHBondContact O-CB 3.33Å; S219-L223 PolarHBondContact O-N 2.96Å; E220-L223 PolarHBondContact O-N 3.37Å; L223-I226 PolarHBondContact O-N 3.09Å; L223-K227 WeakPolarHBondContact O-CG 3.46Å; L223-K227 PolarHBondContact O-N 2.95Å
224K95.9Very high95Very high78 Ų7873.4 Ų73.434%0.33936%0.357SS..Hα-helixtrans-60.2-46.9172.1-74.8169.6170.1172.70112Y170 E220 N221 K227 A228Y170-K224 HydrophobicContact CD1-CB 4.3Å; Y170-K224 HydrophobicContact CG-CB 4.25Å; E220-K224 WeakPolarHBondContact O-CG 3.22Å; E220-K224 PolarHBondContact O-N 3.5Å; E220-K224 WeakPolarHBondContact OE1-CE 3.47Å; E220-K224 IonicContact OE1-NZ 3.56Å; E220-K224 PolarHBondContact OE1-NZ 3.12Å; N221-K224 PolarHBondContact O-N 3.37Å; K224-K227 PolarHBondContact O-N 3.48Å; K224-A228 WeakPolarHBondContact O-CB 3.48Å; K224-A228 PolarHBondContact O-N 2.9Å
225S96.3Very high95.4Very high6 Ų670.6 Ų70.64%0.04235%0.349CS..Hα-helixtrans-62.1-42.1176.2-178.70000112.3H171 N221 K222 R229H171-S225 WeakPolarHBondContact CA-OG 3.45Å; H171-S225 PolarHBondContact ND1-OG 3.47Å; N221-S225 WeakPolarHBondContact O-CB 3.43Å; N221-S225 PolarHBondContact O-N 3.23Å; K222-S225 PolarHBondContact O-N 2.87Å; S225-R229 VanDerWaalsContact O-CB 3.26Å; S225-R229 WeakPolarHBondContact O-CB 3.16Å; S225-R229 PolarHBondContact O-N 2.89Å
226I95.9Very high95.7Very high70 Ų7069 Ų6936%0.35934%0.343SS..Hα-helixtrans-63.7-46.1176.3-71.5164.4000111K222 L223 R229 N230K222-I226 HydrophobicContact CG-CD1 4.16Å; K222-I226 WeakPolarHBondContact O-CB 3.38Å; K222-I226 VanDerWaalsContact O-CG1 3.26Å; K222-I226 WeakPolarHBondContact O-CG1 3.42Å; K222-I226 PolarHBondContact O-N 3.46Å; L223-I226 PolarHBondContact O-N 3.09Å; I226-R229 PolarHBondContact O-N 3.36Å; I226-N230 VanDerWaalsContact O-CG 3.25Å; I226-N230 PolarHBondContact O-N 3.05Å; I226-N230 PolarHBondContact O-OD1 3.11Å; I226-N230 VanDerWaalsContact O-OD1 3.14Å
227K96.9Very high96Very high129 Ų12972.2 Ų72.256%0.56135%0.347SS*.Hα-helixtrans-58.9-54.9176.3-74.8-176.5176.1-167.40111.3L223 K224 R229 N230 E231L223-K227 WeakPolarHBondContact O-CG 3.46Å; L223-K227 PolarHBondContact O-N 2.95Å; K224-K227 PolarHBondContact O-N 3.48Å; K227-R229 PolarHBondContact O-N 3.15Å; K227-N230 WeakPolarHBondContact O-CB 3.2Å; K227-N230 PolarHBondContact O-N 3.15Å; K227-E231 WeakPolarHBondContact O-CG 3.39Å; K227-E231 PolarHBondContact O-N 3.08Å
228A96.6Very high96.3Very high10 Ų1068.9 Ų68.98%0.08334%0.342CS..Hα-helixtrans-61.9-30.7-179.800000113.4Y170 K224 Y232Y170-A228 HydrophobicContact CD2-CB 3.8Å; K224-A228 WeakPolarHBondContact O-CB 3.48Å; K224-A228 PolarHBondContact O-N 2.9Å; A228-Y232 VanDerWaalsContact O-CB 3.32Å; A228-Y232 WeakPolarHBondContact O-CB 3.38Å; A228-Y232 PolarHBondContact O-N 3.43Å
229R97.3Very high96.5Very high111 Ų11167.1 Ų67.142%0.41934%0.336SS..Hα-helixtrans-67.5-40171.6-167.7-171.1641730.7112.1Y167 S225 I226 K227 Y232 L233Y167-R229 HydrophobicContact CD2-CB 3.55Å; Y167-R229 HydrophobicContact CD2-CG 4.06Å; Y167-R229 HydrophobicContact CE2-CB 3.48Å; Y167-R229 VanDerWaalsContact CE2-CB 3.48Å; Y167-R229 HydrophobicContact CE2-CG 3.63Å; Y167-R229 HydrophobicContact CG-CB 4.43Å; S225-R229 VanDerWaalsContact O-CB 3.26Å; S225-R229 WeakPolarHBondContact O-CB 3.16Å; S225-R229 PolarHBondContact O-N 2.89Å; I226-R229 PolarHBondContact O-N 3.36Å; K227-R229 PolarHBondContact O-N 3.15Å; R229-Y232 PolarHBondContact O-N 3.24Å; R229-L233 HydrophobicContact CG-CD1 4.43Å; R229-L233 WeakPolarHBondContact O-CG 3.32Å; R229-L233 PolarHBondContact O-N 3.24Å
230N97.6Very high96.7Very high72 Ų7268.1 Ų68.139%0.38534%0.337SS..Hα-helixtrans-68.2-44178.5-68.98.1000110.5I226 K227 Y232 L233 L234I226-N230 VanDerWaalsContact O-CG 3.25Å; I226-N230 PolarHBondContact O-N 3.05Å; I226-N230 PolarHBondContact O-OD1 3.11Å; I226-N230 VanDerWaalsContact O-OD1 3.14Å; K227-N230 WeakPolarHBondContact O-CB 3.2Å; K227-N230 PolarHBondContact O-N 3.15Å; N230-Y232 VanDerWaalsContact C-N 3.34Å; N230-Y232 PolarHBondContact O-N 3.06Å; N230-L233 PolarHBondContact O-N 3.25Å; N230-L234 WeakPolarHBondContact O-CG 3.39Å; N230-L234 PolarHBondContact O-N 3.02Å
231E97.7Very high96.9Very high104 Ų10466.4 Ų66.449%0.48634%0.339SS..Hα-helixtrans-57.4-46.9171.1-56.3-45.9132.500111V163 K227 L233 L234 T235V163-E231 HydrophobicContact CG1-CB 3.94Å; K227-E231 WeakPolarHBondContact O-CG 3.39Å; K227-E231 PolarHBondContact O-N 3.08Å; E231-L233 VanDerWaalsContact C-N 3.31Å; E231-L233 PolarHBondContact O-N 3.39Å; E231-L234 PolarHBondContact O-N 3.46Å; E231-L234 VanDerWaalsContact O-N 3.1Å; E231-T235 PolarHBondContact O-N 2.8Å; E231-T235 PolarHBondContact O-OG1 3.37Å; E231-T235 VanDerWaalsContact O-OG1 3.07Å
232Y97.6Very high97.1Very high46 Ų4668.1 Ų68.118%0.1835%0.351CS..Hα-helixtrans-56.8-41.5177171.7-119.4000112.9L160 M164 Y167 A228 R229 N230 L236L160-Y232 HydrophobicContact CD1-CD2 3.79Å; L160-Y232 HydrophobicContact CD1-CE2 3.62Å; L160-Y232 HydrophobicContact CG-CE2 4.43Å; M164-Y232 HydrophobicContact CB-CD2 3.78Å; M164-Y232 HydrophobicContact CB-CE2 3.6Å; M164-Y232 HydrophobicContact CG-CD2 4.37Å; M164-Y232 HydrophobicContact CG-CE2 3.87Å; M164-Y232 HydrophobicContact SD-CE2 4.34Å; Y167-Y232 HydrophobicContact CD1-CD1 4.14Å; A228-Y232 VanDerWaalsContact O-CB 3.32Å; A228-Y232 WeakPolarHBondContact O-CB 3.38Å; A228-Y232 PolarHBondContact O-N 3.43Å; R229-Y232 PolarHBondContact O-N 3.24Å; N230-Y232 VanDerWaalsContact C-N 3.34Å; N230-Y232 PolarHBondContact O-N 3.06Å; Y232-L236 WeakPolarHBondContact O-CB 3.47Å; Y232-L236 PolarHBondContact O-N 3.34Å
233L97.9Very high97.3Very high90 Ų9066.7 Ų66.747%0.47135%0.349SS..Hα-helixtrans-68.1-36.8176.7-70.4168.6000112.5R229 N230 E231 E237R229-L233 HydrophobicContact CG-CD1 4.43Å; R229-L233 WeakPolarHBondContact O-CG 3.32Å; R229-L233 PolarHBondContact O-N 3.24Å; N230-L233 PolarHBondContact O-N 3.25Å; E231-L233 VanDerWaalsContact C-N 3.31Å; E231-L233 PolarHBondContact O-N 3.39Å; L233-E237 PolarHBondContact O-N 2.85Å; L233-E237 VanDerWaalsContact O-N 3.11Å
234L97.8Very high97.5Very high114 Ų11468 Ų6860%0.59735%0.35SS*.Hα-helixtrans-68.2-46.8175.5-68170.5000111.7N230 E231 L236 E237 A238N230-L234 WeakPolarHBondContact O-CG 3.39Å; N230-L234 PolarHBondContact O-N 3.02Å; E231-L234 PolarHBondContact O-N 3.46Å; E231-L234 VanDerWaalsContact O-N 3.1Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-L236 PolarHBondContact O-N 2.97Å; L234-E237 PolarHBondContact O-N 2.94Å; L234-A238 WeakPolarHBondContact O-CB 3.47Å; L234-A238 PolarHBondContact O-N 2.95Å
235T97.8Very high97.6Very high19 Ų1969 Ų6912%0.11736%0.355CS..Hα-helixtrans-64.2-36.9175.9-49.90000111.5E159 L160 V163 E231 A238 T239E159-T235 HydrophobicContact CG-CG2 4.11Å; L160-T235 HydrophobicContact CB-CG2 4.15Å; L160-T235 HydrophobicContact CD1-CG2 4.02Å; V163-T235 HydrophobicContact CG2-CG2 4.27Å; E231-T235 PolarHBondContact O-N 2.8Å; E231-T235 PolarHBondContact O-OG1 3.37Å; E231-T235 VanDerWaalsContact O-OG1 3.07Å; T235-A238 PolarHBondContact O-N 2.79Å; T235-T239 WeakPolarHBondContact O-CB 3.33Å; T235-T239 PolarHBondContact O-N 3.26Å; T235-T239 PolarHBondContact O-OG1 2.78Å
236L97.5Very high97.6Very high45 Ų4569 Ų6924%0.23635%0.354CS..Hα-helixtrans-62.7-46.5176.3178.162.4000111.4L160 Y232 L234 T239 N240L160-L236 HydrophobicContact CD1-CB 3.98Å; L160-L236 HydrophobicContact CD1-CD1 4.38Å; L160-L236 HydrophobicContact CD2-CD1 3.84Å; Y232-L236 WeakPolarHBondContact O-CB 3.47Å; Y232-L236 PolarHBondContact O-N 3.34Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-L236 PolarHBondContact O-N 2.97Å; L236-T239 WeakPolarHBondContact O-CB 3.43Å; L236-T239 PolarHBondContact O-N 2.84Å; L236-N240 PolarHBondContact O-N 2.9Å; L236-N240 PolarHBondContact O-ND2 2.91Å
237E97.9Very high97.7Very high130 Ų13068.7 Ų68.761%0.60735%0.349SS*.Hα-helixtrans-65.1-42.9178.5-162.463.7-16500111.6L233 L234 T239 N240 A241L233-E237 PolarHBondContact O-N 2.85Å; L233-E237 VanDerWaalsContact O-N 3.11Å; L234-E237 PolarHBondContact O-N 2.94Å; E237-T239 VanDerWaalsContact C-N 3.31Å; E237-T239 PolarHBondContact O-N 2.8Å; E237-N240 PolarHBondContact O-N 2.94Å; E237-A241 WeakPolarHBondContact O-CB 3.49Å; E237-A241 PolarHBondContact O-N 2.74Å
238A97.4Very high97.7Very high53 Ų5367 Ų6744%0.43835%0.345SS..Hα-helixtrans-61.7-37.7173.700000112.7L234 T235 S242L234-A238 WeakPolarHBondContact O-CB 3.47Å; L234-A238 PolarHBondContact O-N 2.95Å; T235-A238 PolarHBondContact O-N 2.79Å; A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 3.37Å; A238-S242 PolarHBondContact O-OG 2.89Å
239T98.3Very high97.7Very high4 Ų471.1 Ų71.13%0.02536%0.362CS..Hα-helixtrans-66.4-47.5175.8-56.80000111.2V156 L157 L160 T235 L236 E237 A241 S242 V243V156-T239 HydrophobicContact CG1-CG2 4.11Å; V156-T239 WeakPolarHBondContact CG1-OG1 3.3Å; L157-T239 HydrophobicContact CD2-CG2 3.76Å; L160-T239 HydrophobicContact CD2-CG2 3.78Å; T235-T239 WeakPolarHBondContact O-CB 3.33Å; T235-T239 PolarHBondContact O-N 3.26Å; T235-T239 PolarHBondContact O-OG1 2.78Å; L236-T239 WeakPolarHBondContact O-CB 3.43Å; L236-T239 PolarHBondContact O-N 2.84Å; E237-T239 VanDerWaalsContact C-N 3.31Å; E237-T239 PolarHBondContact O-N 2.8Å; T239-A241 VanDerWaalsContact C-N 3.32Å; T239-A241 PolarHBondContact O-N 3.38Å; T239-S242 PolarHBondContact O-N 2.88Å; T239-V243 HydrophobicContact CG2-CG2 4.38Å; T239-V243 WeakPolarHBondContact O-CG2 3.22Å; T239-V243 PolarHBondContact O-N 3.33Å
240N98Very high97.7Very high80 Ų8067 Ų6743%0.42835%0.348SS..Hα-helixtrans-60.2-43.1177.6-68.2-24.3000111.2L236 E237 V243 F244L236-N240 PolarHBondContact O-N 2.9Å; L236-N240 PolarHBondContact O-ND2 2.91Å; E237-N240 PolarHBondContact O-N 2.94Å; N240-V243 PolarHBondContact O-N 3.38Å; N240-F244 VanDerWaalsContact O-CB 3.29Å; N240-F244 WeakPolarHBondContact O-CB 3.41Å; N240-F244 PolarHBondContact O-N 3.25Å
241A98.1Very high97.6Very high59 Ų5965.1 Ų65.149%0.48834%0.338SS..Hα-helixtrans-63.6-39.5175.600000112.6E237 T239 K245E237-A241 WeakPolarHBondContact O-CB 3.49Å; E237-A241 PolarHBondContact O-N 2.74Å; T239-A241 VanDerWaalsContact C-N 3.32Å; T239-A241 PolarHBondContact O-N 3.38Å; A241-K245 VanDerWaalsContact O-CB 3.29Å; A241-K245 WeakPolarHBondContact O-CB 3.38Å; A241-K245 PolarHBondContact O-N 3.25Å
242S98Very high97.5Very high46 Ų4663.2 Ų63.232%0.32234%0.336SS..Hα-helixtrans-67.8-44.3177.2-58.50000112.2A238 T239 K245 Y246A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 3.37Å; A238-S242 PolarHBondContact O-OG 2.89Å; T239-S242 PolarHBondContact O-N 2.88Å; S242-K245 PolarHBondContact O-N 2.93Å; S242-Y246 WeakPolarHBondContact O-CB 3.36Å; S242-Y246 PolarHBondContact O-N 3.33Å
243V98.1Very high97.4Very high37 Ų3765.6 Ų65.622%0.22435%0.352CS..Hα-helixtrans-60.9-48.5173.9172.70000110.5L153 L157 T239 N240 K245 Y246 Y247L153-V243 HydrophobicContact CD1-CB 4.46Å; L153-V243 HydrophobicContact CD1-CG2 3.84Å; L157-V243 HydrophobicContact CD2-CG2 4.42Å; T239-V243 HydrophobicContact CG2-CG2 4.38Å; T239-V243 WeakPolarHBondContact O-CG2 3.22Å; T239-V243 PolarHBondContact O-N 3.33Å; N240-V243 PolarHBondContact O-N 3.38Å; V243-K245 PolarHBondContact O-N 3.27Å; V243-Y246 PolarHBondContact O-N 3.2Å; V243-Y247 HydrophobicContact CG1-CD2 4Å; V243-Y247 HydrophobicContact CG1-CE2 4.2Å; V243-Y247 WeakPolarHBondContact O-CD2 3.12Å; V243-Y247 PolarHBondContact O-N 2.87Å; V243-Y247 VanDerWaalsContact O-N 3.11Å
244F98.1Very high97.2Very high124 Ų12461.6 Ų61.654%0.54433%0.331SS..Hα-helixtrans-58.9-49.2178.2-177.6-85.4000111.5N240 Y246 Y247 I248N240-F244 VanDerWaalsContact O-CB 3.29Å; N240-F244 WeakPolarHBondContact O-CB 3.41Å; N240-F244 PolarHBondContact O-N 3.25Å; F244-Y246 VanDerWaalsContact C-N 3.33Å; F244-Y246 PolarHBondContact O-N 3.25Å; F244-Y247 PolarHBondContact O-N 2.93Å; F244-I248 HydrophobicContact CD1-CB 4.38Å; F244-I248 HydrophobicContact CD1-CG1 4.32Å; F244-I248 HydrophobicContact CD2-CG1 3.98Å; F244-I248 HydrophobicContact CE1-CB 4.1Å; F244-I248 HydrophobicContact CE1-CG1 4.18Å; F244-I248 HydrophobicContact CE1-CG2 4.1Å; F244-I248 HydrophobicContact CE2-CG1 3.85Å; F244-I248 HydrophobicContact CG-CG1 4.21Å; F244-I248 HydrophobicContact CZ-CB 4.22Å; F244-I248 HydrophobicContact CZ-CG1 3.95Å; F244-I248 HydrophobicContact CZ-CG2 4.01Å; F244-I248 VanDerWaalsContact O-CB 3.25Å; F244-I248 WeakPolarHBondContact O-CB 3.47Å; F244-I248 VanDerWaalsContact O-CG1 3.29Å; F244-I248 WeakPolarHBondContact O-CG1 3.28Å; F244-I248 PolarHBondContact O-N 3.42Å
245K97.9Very high97Very high101 Ų10159 Ų5944%0.43932%0.317SS..Hα-helixtrans-59.2-43179.2-174.8-177.3168-76.20111.9A241 S242 V243 H249 D250A241-K245 VanDerWaalsContact O-CB 3.29Å; A241-K245 WeakPolarHBondContact O-CB 3.38Å; A241-K245 PolarHBondContact O-N 3.25Å; S242-K245 PolarHBondContact O-N 2.93Å; V243-K245 PolarHBondContact O-N 3.27Å; K245-H249 WeakPolarHBondContact O-CA 3.26Å; K245-H249 WeakPolarHBondContact O-CB 3.42Å; K245-H249 PolarHBondContact O-N 3.11Å; K245-D250 IonicContact NZ-OD1 3.74Å; K245-D250 PolarHBondContact NZ-OD1 3.3Å; K245-D250 IonicContact NZ-OD2 2.79Å; K245-D250 PolarHBondContact NZ-OD2 2.97Å; K245-D250 PolarHBondContact O-N 2.71Å
246Y98.3Very high96.7Very high5 Ų563.1 Ų63.12%0.0234%0.338CS..Iπ-helixtrans-61.1-53.7178.5179.9-100.2000112.1L27 Q30 L149 Q150 L153 S242 V243 F244 D250 L251L27-Y246 HydrophobicContact CD2-CD1 4.3Å; L27-Y246 HydrophobicContact CD2-CE1 3.44Å; L27-Y246 VanDerWaalsContact CD2-CE1 3.44Å; Q30-Y246 PolarHBondContact OE1-OH 3.22Å; L149-Y246 HydrophobicContact CB-CD2 4.14Å; L149-Y246 HydrophobicContact CB-CE2 3.85Å; Q150-Y246 HydrophobicContact CG-CE2 4.21Å; Q150-Y246 VanDerWaalsContact CG-OH 3.27Å; Q150-Y246 WeakPolarHBondContact CG-OH 3.36Å; Q150-Y246 PolarHBondContact NE2-OH 3.13Å; Q150-Y246 VanDerWaalsContact NE2-OH 3.08Å; L153-Y246 HydrophobicContact CD2-CD1 3.67Å; L153-Y246 HydrophobicContact CD2-CD2 4.47Å; L153-Y246 HydrophobicContact CD2-CE1 4.22Å; L153-Y246 HydrophobicContact CD2-CG 3.82Å; S242-Y246 WeakPolarHBondContact O-CB 3.36Å; S242-Y246 PolarHBondContact O-N 3.33Å; V243-Y246 PolarHBondContact O-N 3.2Å; F244-Y246 VanDerWaalsContact C-N 3.33Å; F244-Y246 PolarHBondContact O-N 3.25Å; Y246-D250 HydrophobicContact CD2-CB 4.39Å; Y246-L251 WeakPolarHBondContact O-CB 3.4Å; Y246-L251 PolarHBondContact O-N 2.81Å
247Y97.6Very high96.3Very high64 Ų6463.6 Ų63.625%0.25135%0.345SS..Iπ-helixtrans-75.4-26.1-173.9-82.1-93.7000114.2Q26 V243 F244Q26-Y247 PolarHBondContact OE1-OH 2.84Å; V243-Y247 HydrophobicContact CG1-CD2 4Å; V243-Y247 HydrophobicContact CG1-CE2 4.2Å; V243-Y247 WeakPolarHBondContact O-CD2 3.12Å; V243-Y247 PolarHBondContact O-N 2.87Å; V243-Y247 VanDerWaalsContact O-N 3.11Å; F244-Y247 PolarHBondContact O-N 2.93Å
248I97.2Very high95.9Very high93 Ų9357.7 Ų57.748%0.47732%0.318SS..Iπ-helixtrans-103.6-24-173.5-55.1-60.1000113.1F244F244-I248 HydrophobicContact CD1-CB 4.38Å; F244-I248 HydrophobicContact CD1-CG1 4.32Å; F244-I248 HydrophobicContact CD2-CG1 3.98Å; F244-I248 HydrophobicContact CE1-CB 4.1Å; F244-I248 HydrophobicContact CE1-CG1 4.18Å; F244-I248 HydrophobicContact CE1-CG2 4.1Å; F244-I248 HydrophobicContact CE2-CG1 3.85Å; F244-I248 HydrophobicContact CG-CG1 4.21Å; F244-I248 HydrophobicContact CZ-CB 4.22Å; F244-I248 HydrophobicContact CZ-CG1 3.95Å; F244-I248 HydrophobicContact CZ-CG2 4.01Å; F244-I248 VanDerWaalsContact O-CB 3.25Å; F244-I248 WeakPolarHBondContact O-CB 3.47Å; F244-I248 VanDerWaalsContact O-CG1 3.29Å; F244-I248 WeakPolarHBondContact O-CG1 3.28Å; F244-I248 PolarHBondContact O-N 3.42Å
249H96.5Very high95.4Very high96 Ų9656.6 Ų56.644%0.44431%0.305SS..Iπ-helixtrans-124.5-62.7-177.9-58.6-47.7000112.3K245 L251 S252 D253K245-H249 WeakPolarHBondContact O-CA 3.26Å; K245-H249 WeakPolarHBondContact O-CB 3.42Å; K245-H249 PolarHBondContact O-N 3.11Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 2.84Å; H249-S252 WeakPolarHBondContact O-CA 3.33Å; H249-S252 WeakPolarHBondContact O-CB 3.24Å; H249-S252 PolarHBondContact O-N 3.36Å; H249-D253 PolarHBondContact O-N 2.79Å
250D97.1Very high95.1Very high26 Ų2662 Ų6214%0.13933%0.333CS..Iπ-helixtrans-62.7-34.8-168.9-58.9-41.6000113L149 K245 Y246 S252 L254L149-D250 HydrophobicContact CD1-CB 4.14Å; L149-D250 HydrophobicContact CD2-CB 4.45Å; K245-D250 IonicContact NZ-OD1 3.74Å; K245-D250 PolarHBondContact NZ-OD1 3.3Å; K245-D250 IonicContact NZ-OD2 2.79Å; K245-D250 PolarHBondContact NZ-OD2 2.97Å; K245-D250 PolarHBondContact O-N 2.71Å; Y246-D250 HydrophobicContact CD2-CB 4.39Å; D250-S252 VanDerWaalsContact C-N 3.34Å; D250-L254 WeakPolarHBondContact O-CB 3.4Å; D250-L254 PolarHBondContact O-N 3.26Å
251L95.3Very high94.8Very high31 Ų3159.9 Ų59.916%0.16233%0.33CS..Hα-helixtrans-68.6-30.1175.2-176.460.3000112.9Q30 Y246 H249 L254 I255Q30-L251 HydrophobicContact CG-CD2 4.49Å; Y246-L251 WeakPolarHBondContact O-CB 3.4Å; Y246-L251 PolarHBondContact O-N 2.81Å; H249-L251 VanDerWaalsContact C-N 3.28Å; H249-L251 PolarHBondContact O-N 2.84Å; L251-L254 HydrophobicContact CD1-CD2 4.32Å; L251-I255 WeakPolarHBondContact O-CD1 3.15Å; L251-I255 WeakPolarHBondContact O-CG1 3.43Å; L251-I255 PolarHBondContact O-N 2.85Å
252S95.6Very high94.7Very high64 Ų6457.7 Ų57.745%0.44831%0.31SS..Hα-helixtrans-74.2-49.4175.4-165.50000110.6H249 D250 L254 I255 D256H249-S252 WeakPolarHBondContact O-CA 3.33Å; H249-S252 WeakPolarHBondContact O-CB 3.24Å; H249-S252 PolarHBondContact O-N 3.36Å; D250-S252 VanDerWaalsContact C-N 3.34Å; S252-L254 PolarHBondContact O-N 3.1Å; S252-I255 PolarHBondContact O-N 3Å; S252-D256 PolarHBondContact O-N 2.98Å; S252-D256 VanDerWaalsContact O-N 3.09Å
253D95.4Very high94.6Very high97 Ų9761 Ų6152%0.51932%0.319SS..Hα-helixtrans-58.8-34.5177.4-65.9-9.7000111.2H249 C257H249-D253 PolarHBondContact O-N 2.79Å; D253-C257 PolarHBondContact O-N 3.28Å; D253-C257 PolarHBondContact O-SG 3.36Å
254L94.5Very high94.6Very high6 Ų662 Ų623%0.03133%0.332CS..Hα-helixtrans-66.8-37.717517865.1000113.2L34 S142 I145 A146 D250 L251 S252 C257 C258L34-L254 HydrophobicContact CD1-CD2 3.99Å; L34-L254 HydrophobicContact CD1-CG 4.43Å; S142-L254 WeakPolarHBondContact O-CD1 3.44Å; I145-L254 HydrophobicContact CB-CD1 4.48Å; I145-L254 HydrophobicContact CG2-CD1 4.4Å; A146-L254 HydrophobicContact CB-CD1 4.25Å; A146-L254 HydrophobicContact CB-CD2 3.64Å; D250-L254 WeakPolarHBondContact O-CB 3.4Å; D250-L254 PolarHBondContact O-N 3.26Å; L251-L254 HydrophobicContact CD1-CD2 4.32Å; S252-L254 PolarHBondContact O-N 3.1Å; L254-C257 WeakPolarHBondContact O-CB 3.46Å; L254-C257 PolarHBondContact O-N 3.27Å; L254-C258 PolarHBondContact O-N 2.6Å; L254-C258 VanDerWaalsContact O-N 3.15Å; L254-C258 PolarHBondContact O-SG 3.22Å; L254-C258 VanDerWaalsContact O-SG 3.4Å
255I92.4Very high94.5Very high59 Ų5957.8 Ų57.830%0.30332%0.318SS..Hα-helixtrans-67.2-45.6175.1-69.5161.5000109.8L34 L251 S252 C257 C258 D259L34-I255 HydrophobicContact CD2-CG1 3.88Å; L251-I255 WeakPolarHBondContact O-CD1 3.15Å; L251-I255 WeakPolarHBondContact O-CG1 3.43Å; L251-I255 PolarHBondContact O-N 2.85Å; S252-I255 PolarHBondContact O-N 3Å; I255-C257 PolarHBondContact O-N 3.41Å; I255-C258 WeakPolarHBondContact O-CB 3.46Å; I255-C258 PolarHBondContact O-N 2.93Å; I255-D259 PolarHBondContact O-N 2.75Å
256D91.3Very high94.5Very high105 Ų10554.1 Ų54.156%0.56130%0.303SS*.Hα-helixtrans-60.1-31.3175-75.9-17.8000112.2S252 D259 L260S252-D256 PolarHBondContact O-N 2.98Å; S252-D256 VanDerWaalsContact O-N 3.09Å; D256-D259 PolarHBondContact O-N 3.3Å; D256-L260 PolarHBondContact O-N 2.8Å
257C90.4Very high94.5Very high55 Ų5557.6 Ų57.637%0.37232%0.322SS..Hα-helixtrans-69.3-34.3172.1-70.30000113.7D253 L254 I255 D259 L260D253-C257 PolarHBondContact O-N 3.28Å; D253-C257 PolarHBondContact O-SG 3.36Å; L254-C257 WeakPolarHBondContact O-CB 3.46Å; L254-C257 PolarHBondContact O-N 3.27Å; I255-C257 PolarHBondContact O-N 3.41Å; C257-D259 VanDerWaalsContact C-N 3.35Å; C257-L260 WeakPolarHBondContact O-CB 3.17Å
258C88.8Confident94.6Very high7 Ų761.7 Ų61.75%0.04734%0.337CS..Hα-helixtrans-68.5-35.2172.3-66.60000112.2S142 L254 I255 L260S142-C258 WeakPolarHBondContact CB-SG 3.43Å; S142-C258 PolarHBondContact OG-SG 3.27Å; L254-C258 PolarHBondContact O-N 2.6Å; L254-C258 VanDerWaalsContact O-N 3.15Å; L254-C258 PolarHBondContact O-SG 3.22Å; L254-C258 VanDerWaalsContact O-SG 3.4Å; I255-C258 WeakPolarHBondContact O-CB 3.46Å; I255-C258 PolarHBondContact O-N 2.93Å; C258-L260 VanDerWaalsContact C-N 3.33Å
259D85.9Confident94.6Very high30 Ų3057.3 Ų57.316%0.1631%0.314CS..SBendtrans-87.6-3.1-173.9-73.826.8000113.2R41 I255 D256 C257 G261 Y262 H263R41-D259 IonicContact CZ-OD1 3.8Å; R41-D259 VanDerWaalsContact CZ-OD1 3.27Å; R41-D259 IonicContact CZ-OD2 3.71Å; R41-D259 IonicContact NH1-OD1 2.73Å; R41-D259 PolarHBondContact NH1-OD1 3.49Å; R41-D259 IonicContact NH1-OD2 3.86Å; R41-D259 IonicContact NH2-OD1 3.69Å; R41-D259 PolarHBondContact NH2-OD1 3.18Å; R41-D259 VanDerWaalsContact NH2-OD1 3.08Å; R41-D259 IonicContact NH2-OD2 2.9Å; R41-D259 PolarHBondContact NH2-OD2 2.86Å; I255-D259 PolarHBondContact O-N 2.75Å; D256-D259 PolarHBondContact O-N 3.3Å; C257-D259 VanDerWaalsContact C-N 3.35Å; D259-G261 PolarHBondContact O-N 3.33Å; D259-Y262 WeakPolarHBondContact O-CB 3.36Å; D259-Y262 PolarHBondContact O-N 3.43Å; D259-H263 IonicContact OD2-NE2 3.71Å
260L92.1Very high94.7Very high116 Ų11655.8 Ų55.861%0.60731%0.309SS*.THydrogen-bonded Turntrans-54.6101-168.3-175.263.4000113.2L138 D256 C257 C258 Y262L138-L260 HydrophobicContact CD1-CB 4.26Å; L138-L260 WeakPolarHBondContact CD1-O 3.18Å; L138-L260 HydrophobicContact CD2-CB 4.48Å; L138-L260 HydrophobicContact CD2-CD2 4.33Å; D256-L260 PolarHBondContact O-N 2.8Å; C257-L260 WeakPolarHBondContact O-CB 3.17Å; C258-L260 VanDerWaalsContact C-N 3.33Å; L260-Y262 VanDerWaalsContact C-N 3.33Å; L260-Y262 PolarHBondContact O-N 3.13Å
261G92.6Very high94.8Very high37 Ų3762.1 Ų62.138%0.38133%0.331SS..THydrogen-bonded Turntrans85.3-9.717800000115.6D259 H263 A264 S265D259-G261 PolarHBondContact O-N 3.33Å; G261-H263 PolarHBondContact O-N 3.15Å; G261-A264 PolarHBondContact O-N 3.4Å; G261-S265 WeakPolarHBondContact O-CB 3.06Å; G261-S265 PolarHBondContact O-N 3.11Å; G261-S265 PolarHBondContact O-OG 3.05Å
262Y95.8Very high94.9Very high13 Ų1362.2 Ų62.25%0.05133%0.333CS..Hα-helixtrans-53.4-57.8-179171.8-99000111.7R41 L45 I131 D259 L260 A264 S265 L266R41-Y262 HydrophobicContact CB-CE2 4.05Å; R41-Y262 HydrophobicContact CG-CE1 4.33Å; R41-Y262 HydrophobicContact CG-CE2 4.27Å; L45-Y262 HydrophobicContact CD1-CE2 4.03Å; L45-Y262 HydrophobicContact CD2-CE2 4.49Å; L45-Y262 HydrophobicContact CG-CE2 4.32Å; I131-Y262 HydrophobicContact CG2-CD2 3.74Å; I131-Y262 HydrophobicContact CG2-CE2 4.18Å; D259-Y262 WeakPolarHBondContact O-CB 3.36Å; D259-Y262 PolarHBondContact O-N 3.43Å; L260-Y262 VanDerWaalsContact C-N 3.33Å; L260-Y262 PolarHBondContact O-N 3.13Å; Y262-A264 VanDerWaalsContact C-N 3.32Å; Y262-A264 PolarHBondContact O-N 3.13Å; Y262-S265 PolarHBondContact O-N 3.42Å; Y262-L266 HydrophobicContact CE1-CD2 3.99Å; Y262-L266 VanDerWaalsContact O-CB 3.27Å; Y262-L266 WeakPolarHBondContact O-CB 3.48Å; Y262-L266 PolarHBondContact O-N 3.42Å
263H96Very high95Very high114 Ų11462.1 Ų62.153%0.52832%0.323SS..Hα-helixtrans-63.2-35.7-178.6-69.9-78.3000113.1D259 G261 N267D259-H263 IonicContact OD2-NE2 3.71Å; G261-H263 PolarHBondContact O-N 3.15Å; H263-N267 VanDerWaalsContact O-CB 3.27Å; H263-N267 WeakPolarHBondContact O-CB 3.35Å; H263-N267 PolarHBondContact O-N 3.04Å
264A97.1Very high95.2Very high60 Ų6062.5 Ų62.550%0.49633%0.325SS..Hα-helixtrans-70.9-41179.500000112G261 Y262 R268G261-A264 PolarHBondContact O-N 3.4Å; Y262-A264 VanDerWaalsContact C-N 3.32Å; Y262-A264 PolarHBondContact O-N 3.13Å; A264-R268 VanDerWaalsContact O-CG 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.15Å; A264-R268 PolarHBondContact O-N 2.86Å; A264-R268 VanDerWaalsContact O-N 3.11Å
265S97.4Very high95.4Very high34 Ų3465.4 Ų65.424%0.23835%0.346CS..Hα-helixtrans-72.6-40.8177.3-65.80000112G261 Y262 N267 R268 A269G261-S265 WeakPolarHBondContact O-CB 3.06Å; G261-S265 PolarHBondContact O-N 3.11Å; G261-S265 PolarHBondContact O-OG 3.05Å; Y262-S265 PolarHBondContact O-N 3.42Å; S265-N267 PolarHBondContact O-N 2.88Å; S265-R268 PolarHBondContact O-N 3.4Å; S265-R268 VanDerWaalsContact O-N 3.16Å; S265-A269 PolarHBondContact O-N 2.95Å
266L97.9Very high95.7Very high25 Ų2563.1 Ų63.113%0.13134%0.336CS..Hα-helixtrans-58.8-44.4171.7175.654.7000111.4L48 F128 Y262 R268 A269 L270L48-L266 HydrophobicContact CD1-CD1 4.16Å; F128-L266 HydrophobicContact CD1-CD1 4.45Å; F128-L266 HydrophobicContact CE1-CD1 3.72Å; Y262-L266 HydrophobicContact CE1-CD2 3.99Å; Y262-L266 VanDerWaalsContact O-CB 3.27Å; Y262-L266 WeakPolarHBondContact O-CB 3.48Å; Y262-L266 PolarHBondContact O-N 3.42Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 2.92Å; L266-A269 PolarHBondContact O-N 3.09Å; L266-L270 HydrophobicContact CD1-CD1 3.84Å; L266-L270 HydrophobicContact CD1-CG 4.1Å; L266-L270 HydrophobicContact CG-CD1 4.2Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 2.79Å
267N98.4Very high96Very high78 Ų7860.5 Ų60.542%0.41732%0.32SS..Hα-helixtrans-61.3-39.1175.1-169.4-103.5000112.3H263 S265 R271H263-N267 VanDerWaalsContact O-CB 3.27Å; H263-N267 WeakPolarHBondContact O-CB 3.35Å; H263-N267 PolarHBondContact O-N 3.04Å; S265-N267 PolarHBondContact O-N 2.88Å; N267-R271 VanDerWaalsContact O-CB 3.3Å; N267-R271 WeakPolarHBondContact O-CB 3.43Å; N267-R271 VanDerWaalsContact O-CG 3.25Å; N267-R271 WeakPolarHBondContact O-CG 3.4Å; N267-R271 PolarHBondContact O-N 2.59Å; N267-R271 WeakPolarHBondContact OD1-CD 3.26Å; N267-R271 PolarHBondContact OD1-NE 3.19Å
268R98.2Very high96.3Very high150 Ų15065.9 Ų65.957%0.56633%0.334SS*.Hα-helixtrans-68.5-38.1176.6-72.116866.8-148.22.9112.7A264 S265 L266 T272A264-R268 VanDerWaalsContact O-CG 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.15Å; A264-R268 PolarHBondContact O-N 2.86Å; A264-R268 VanDerWaalsContact O-N 3.11Å; S265-R268 PolarHBondContact O-N 3.4Å; S265-R268 VanDerWaalsContact O-N 3.16Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 2.92Å; R268-T272 PolarHBondContact O-N 3.47Å; R268-T272 PolarHBondContact O-OG1 3.28Å
269A98.2Very high96.8Very high0 Ų070.2 Ų70.20%036%0.356CS..Hα-helixtrans-63.6-50.3174.600000111.3R127 F128 S265 L266 R271 T272 Y273R127-A269 HydrophobicContact CB-CB 3.95Å; F128-A269 HydrophobicContact CD1-CB 4.04Å; F128-A269 HydrophobicContact CE1-CB 3.46Å; F128-A269 VanDerWaalsContact CE1-CB 3.46Å; F128-A269 HydrophobicContact CZ-CB 3.85Å; S265-A269 PolarHBondContact O-N 2.95Å; L266-A269 PolarHBondContact O-N 3.09Å; A269-R271 VanDerWaalsContact C-N 3.35Å; A269-R271 PolarHBondContact O-N 2.89Å; A269-T272 WeakPolarHBondContact O-CA 3.26Å; A269-T272 VanDerWaalsContact O-CB 3.28Å; A269-T272 WeakPolarHBondContact O-CB 3.23Å; A269-T272 PolarHBondContact O-N 3.43Å; A269-Y273 PolarHBondContact O-N 3.29Å; A269-Y273 VanDerWaalsContact O-N 3.16Å
270L98.4Very high97.3Very high65 Ų6569.3 Ų69.334%0.3435%0.351SS..Hα-helixtrans-65.8-33.6177.8-65.6172.8000112.9F128 L266 T272 Y273 L274F128-L270 HydrophobicContact CZ-CD2 4.15Å; L266-L270 HydrophobicContact CD1-CD1 3.84Å; L266-L270 HydrophobicContact CD1-CG 4.1Å; L266-L270 HydrophobicContact CG-CD1 4.2Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 2.79Å; L270-T272 VanDerWaalsContact C-N 3.31Å; L270-T272 PolarHBondContact O-N 3.49Å; L270-Y273 WeakPolarHBondContact O-CB 3.14Å; L270-Y273 PolarHBondContact O-N 3.14Å; L270-L274 WeakPolarHBondContact O-CG 3.31Å; L270-L274 PolarHBondContact O-N 3.01Å
271R98.3Very high97.6Very high159 Ų15968.5 Ų68.560%0.634%0.344SS*.Hα-helixtrans-67.8-28.1170-77.1-177.9-174.8-781.6113.5N267 A269 S275N267-R271 VanDerWaalsContact O-CB 3.3Å; N267-R271 WeakPolarHBondContact O-CB 3.43Å; N267-R271 VanDerWaalsContact O-CG 3.25Å; N267-R271 WeakPolarHBondContact O-CG 3.4Å; N267-R271 PolarHBondContact O-N 2.59Å; N267-R271 WeakPolarHBondContact OD1-CD 3.26Å; N267-R271 PolarHBondContact OD1-NE 3.19Å; A269-R271 VanDerWaalsContact C-N 3.35Å; A269-R271 PolarHBondContact O-N 2.89Å; R271-S275 VanDerWaalsContact O-CB 3.25Å; R271-S275 WeakPolarHBondContact O-CB 3.23Å; R271-S275 PolarHBondContact O-N 3.02Å
272T98.4Very high97.9Very high32 Ų3269 Ų6920%0.19634%0.34CS..Hα-helixtrans-67.5-43.3173.9-54.50000110I119 V124 R268 A269 L270 S275 A276I119-T272 HydrophobicContact CG2-CG2 4.37Å; V124-T272 HydrophobicContact CG2-CG2 4.26Å; R268-T272 PolarHBondContact O-N 3.47Å; R268-T272 PolarHBondContact O-OG1 3.28Å; A269-T272 WeakPolarHBondContact O-CA 3.26Å; A269-T272 VanDerWaalsContact O-CB 3.28Å; A269-T272 WeakPolarHBondContact O-CB 3.23Å; A269-T272 PolarHBondContact O-N 3.43Å; L270-T272 VanDerWaalsContact C-N 3.31Å; L270-T272 PolarHBondContact O-N 3.49Å; T272-S275 PolarHBondContact O-N 2.97Å; T272-A276 PolarHBondContact O-N 2.96Å; T272-A276 VanDerWaalsContact O-N 3.07Å
273Y98.2Very high98Very high62 Ų6269.4 Ų69.424%0.24335%0.345CS..Hα-helixtrans-57.4-54.5170.5160.2-106.8000112.3F52 Y120 A269 L270 S275 A276 E277F52-Y273 AromaticContact CE1-CD2 3.4Å; F52-Y273 HydrophobicContact CE1-CD2 3.4Å; F52-Y273 AromaticContact CE1-CE2 3.88Å; F52-Y273 HydrophobicContact CE1-CE2 3.88Å; F52-Y273 AromaticContact CE1-CG 3.93Å; F52-Y273 HydrophobicContact CE1-CG 3.93Å; F52-Y273 HydrophobicContact CZ-CD1 4.31Å; F52-Y273 AromaticContact CZ-CD2 3.65Å; F52-Y273 HydrophobicContact CZ-CD2 3.65Å; F52-Y273 HydrophobicContact CZ-CE2 4.13Å; F52-Y273 AromaticContact CZ-CG 3.72Å; F52-Y273 HydrophobicContact CZ-CG 3.72Å; Y120-Y273 AromaticContact CE1-CD2 3.77Å; Y120-Y273 HydrophobicContact CE1-CD2 3.77Å; Y120-Y273 HydrophobicContact CE1-CE2 4.39Å; A269-Y273 PolarHBondContact O-N 3.29Å; A269-Y273 VanDerWaalsContact O-N 3.16Å; L270-Y273 WeakPolarHBondContact O-CB 3.14Å; L270-Y273 PolarHBondContact O-N 3.14Å; Y273-S275 VanDerWaalsContact C-N 3.25Å; Y273-S275 PolarHBondContact O-N 3.3Å; Y273-A276 WeakPolarHBondContact O-CB 3.47Å; Y273-A276 PolarHBondContact O-N 3.48Å; Y273-E277 HydrophobicContact CD2-CG 4Å; Y273-E277 HydrophobicContact CE2-CG 3.56Å; Y273-E277 WeakPolarHBondContact CE2-OE1 3.41Å; Y273-E277 PolarHBondContact O-N 2.82Å
274L98.5Very high98.1Very high106 Ų10666.1 Ų66.156%0.55533%0.328SS*.Hα-helixtrans-59.8-35.6179.7-69171000112.7L270 Y278L270-L274 WeakPolarHBondContact O-CG 3.31Å; L270-L274 PolarHBondContact O-N 3.01Å; L274-Y278 WeakPolarHBondContact O-CB 3.05Å; L274-Y278 PolarHBondContact O-N 3.2Å; L274-Y278 VanDerWaalsContact O-N 3.1Å
275S98.6Very high98.1Very high67 Ų6769.6 Ų69.647%0.46933%0.334SS..Hα-helixtrans-65.7-38.2174.6-1710000111.9R271 T272 Y273 N279R271-S275 VanDerWaalsContact O-CB 3.25Å; R271-S275 WeakPolarHBondContact O-CB 3.23Å; R271-S275 PolarHBondContact O-N 3.02Å; T272-S275 PolarHBondContact O-N 2.97Å; Y273-S275 VanDerWaalsContact C-N 3.25Å; Y273-S275 PolarHBondContact O-N 3.3Å; S275-N279 PolarHBondContact O-N 2.76Å; S275-N279 PolarHBondContact O-ND2 2.94Å
276A98.3Very high98.2Very high11 Ų1173.3 Ų73.39%0.09135%0.348CS..Hα-helixtrans-69.9-47.3-179.700000111.5L116 I119 T272 Y273 Y278 N279 L280L116-A276 HydrophobicContact CD1-CB 3.45Å; L116-A276 VanDerWaalsContact CD1-CB 3.45Å; I119-A276 HydrophobicContact CD1-CB 4.04Å; I119-A276 HydrophobicContact CG2-CB 3.99Å; T272-A276 PolarHBondContact O-N 2.96Å; T272-A276 VanDerWaalsContact O-N 3.07Å; Y273-A276 WeakPolarHBondContact O-CB 3.47Å; Y273-A276 PolarHBondContact O-N 3.48Å; A276-Y278 VanDerWaalsContact C-N 3.33Å; A276-Y278 PolarHBondContact O-N 3.02Å; A276-N279 PolarHBondContact O-N 2.87Å; A276-L280 PolarHBondContact O-N 3.31Å
277E97.8Very high98.1Very high49 Ų4972.2 Ų72.223%0.22934%0.342CS..Hα-helixtrans-57.7-42.9174.7-65.6-72.7-174.900111.9K55 Y120 Y273 N279 L280 E281K55-E277 IonicContact NZ-OE1 2.91Å; K55-E277 PolarHBondContact NZ-OE1 3.26Å; Y120-E277 PolarHBondContact OH-OE1 3.48Å; Y273-E277 HydrophobicContact CD2-CG 4Å; Y273-E277 HydrophobicContact CE2-CG 3.56Å; Y273-E277 WeakPolarHBondContact CE2-OE1 3.41Å; Y273-E277 PolarHBondContact O-N 2.82Å; E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 2.8Å; E277-L280 PolarHBondContact O-N 3.3Å; E277-E281 PolarHBondContact O-N 2.85Å
278Y98.3Very high98.1Very high168 Ų16872.5 Ų72.566%0.65934%0.343SS*.Hα-helixtrans-64.7-35.2177.8-179-103.1000113.3L274 A276 T282L274-Y278 WeakPolarHBondContact O-CB 3.05Å; L274-Y278 PolarHBondContact O-N 3.2Å; L274-Y278 VanDerWaalsContact O-N 3.1Å; A276-Y278 VanDerWaalsContact C-N 3.33Å; A276-Y278 PolarHBondContact O-N 3.02Å; Y278-T282 WeakPolarHBondContact O-CB 3.42Å; Y278-T282 PolarHBondContact O-N 3.22Å; Y278-T282 PolarHBondContact O-OG1 2.75Å
279N98Very high98.1Very high98 Ų9869.1 Ų69.152%0.52434%0.336SS..Hα-helixtrans-75.5-36177.2-79.4-101.1000111.8S275 A276 E277 T282 S283S275-N279 PolarHBondContact O-N 2.76Å; S275-N279 PolarHBondContact O-ND2 2.94Å; A276-N279 PolarHBondContact O-N 2.87Å; E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 2.8Å; N279-T282 PolarHBondContact O-N 2.77Å; N279-S283 WeakPolarHBondContact O-CB 3.41Å; N279-S283 PolarHBondContact O-N 3.38Å
280L97.8Very high98Very high11 Ų1172.6 Ų72.66%0.05835%0.354CS..Hα-helixtrans-56.7-51.6170170.566000110.7D112 L116 A276 E277 T282 S283 R284D112-L280 HydrophobicContact CB-CD1 3.48Å; D112-L280 VanDerWaalsContact CB-CD1 3.48Å; L116-L280 HydrophobicContact CD2-CD2 3.79Å; A276-L280 PolarHBondContact O-N 3.31Å; E277-L280 PolarHBondContact O-N 3.3Å; L280-T282 VanDerWaalsContact C-N 3.31Å; L280-T282 PolarHBondContact O-N 2.82Å; L280-S283 PolarHBondContact O-N 2.85Å; L280-R284 PolarHBondContact O-N 3.21Å
281E97.8Very high97.9Very high99 Ų9970.8 Ų70.846%0.46334%0.344SS..Hα-helixtrans-69-31.1-176.8-164.956.6-152.400112.5E277 R284 H285E277-E281 PolarHBondContact O-N 2.85Å; E281-R284 PolarHBondContact O-N 2.77Å; E281-R284 IonicContact OE2-CZ 3.35Å; E281-R284 IonicContact OE2-NH1 3.4Å; E281-R284 PolarHBondContact OE2-NH1 2.96Å; E281-H285 WeakPolarHBondContact O-CB 3.43Å; E281-H285 PolarHBondContact O-N 2.95Å
282T98.3Very high97.9Very high47 Ų4769 Ų6929%0.28834%0.343SS..Hα-helixtrans-64.1-47.1170.9-55.90000111.1Y278 N279 L280 R284 H285 E286Y278-T282 WeakPolarHBondContact O-CB 3.42Å; Y278-T282 PolarHBondContact O-N 3.22Å; Y278-T282 PolarHBondContact O-OG1 2.75Å; N279-T282 PolarHBondContact O-N 2.77Å; L280-T282 VanDerWaalsContact C-N 3.31Å; L280-T282 PolarHBondContact O-N 2.82Å; T282-R284 VanDerWaalsContact C-N 3.32Å; T282-R284 PolarHBondContact O-N 3.35Å; T282-H285 PolarHBondContact O-N 3.5Å; T282-E286 WeakPolarHBondContact O-CG 3.15Å; T282-E286 PolarHBondContact O-N 3.33Å
283S98.3Very high97.8Very high23 Ų2371.6 Ų71.616%0.16136%0.355CS..Hα-helixtrans-63.8-35.3177.7-174.80000112.8R108 D112 N279 L280 G287R108-S283 WeakPolarHBondContact CD-O 3.5Å; R108-S283 VanDerWaalsContact CD-OG 3.25Å; R108-S283 WeakPolarHBondContact CD-OG 3.42Å; R108-S283 PolarHBondContact NH1-O 2.98Å; R108-S283 VanDerWaalsContact NH1-O 3.12Å; D112-S283 VanDerWaalsContact OD2-CB 3.23Å; D112-S283 WeakPolarHBondContact OD2-CB 3.49Å; D112-S283 PolarHBondContact OD2-OG 3.17Å; N279-S283 WeakPolarHBondContact O-CB 3.41Å; N279-S283 PolarHBondContact O-N 3.38Å; L280-S283 PolarHBondContact O-N 2.85Å; S283-G287 PolarHBondContact O-N 3.14Å
284R97.6Very high97.7Very high45 Ų4568.9 Ų68.917%0.1735%0.346CS..Hα-helixtrans-61.5-51169.3172.5171.8-69.4122.42.5111.5E109 H113 L280 E281 T282 G287 L288E109-R284 WeakPolarHBondContact OE1-CG 3.26Å; E109-R284 IonicContact OE1-CZ 3.52Å; E109-R284 IonicContact OE1-NE 3.43Å; E109-R284 PolarHBondContact OE1-NE 3.03Å; E109-R284 IonicContact OE1-NH2 2.82Å; E109-R284 IonicContact OE2-CZ 2.76Å; E109-R284 IonicContact OE2-NE 2.66Å; E109-R284 IonicContact OE2-NH2 3.32Å; E109-R284 PolarHBondContact OE2-NH2 2.75Å; H113-R284 PolarHBondContact NE2-NH2 2.88Å; L280-R284 PolarHBondContact O-N 3.21Å; E281-R284 PolarHBondContact O-N 2.77Å; E281-R284 IonicContact OE2-CZ 3.35Å; E281-R284 IonicContact OE2-NH1 3.4Å; E281-R284 PolarHBondContact OE2-NH1 2.96Å; T282-R284 VanDerWaalsContact C-N 3.32Å; T282-R284 PolarHBondContact O-N 3.35Å; R284-G287 CarbonylContact O-C 3.5Å; R284-G287 VanDerWaalsContact O-CA 3.3Å; R284-G287 WeakPolarHBondContact O-CA 3.37Å; R284-G287 PolarHBondContact O-N 3.21Å; R284-L288 HydrophobicContact CG-CD1 3.96Å; R284-L288 HydrophobicContact CG-CG 4.38Å; R284-L288 WeakPolarHBondContact O-CG 3.4Å; R284-L288 PolarHBondContact O-N 2.8Å
285H98.3Very high97.6Very high132 Ų13267.3 Ų67.361%0.61134%0.341SS*.Hα-helixtrans-62.5-45.1-178.8-172.455.6000112.2E281 T282 G287 L288 D289E281-H285 WeakPolarHBondContact O-CB 3.43Å; E281-H285 PolarHBondContact O-N 2.95Å; T282-H285 PolarHBondContact O-N 3.5Å; H285-G287 PolarHBondContact O-N 3.28Å; H285-G287 VanDerWaalsContact O-N 3.09Å; H285-L288 PolarHBondContact O-N 3.49Å; H285-D289 PolarHBondContact O-N 2.82Å
286E97.9Very high97.5Very high113 Ų11370.7 Ų70.753%0.52835%0.354SS..Hα-helixtrans-60.2-15.5169.6-70.8-179.4-175.200113.7R108 T282 I290R108-E286 PolarHBondContact NH1-O 3.23Å; R108-E286 VanDerWaalsContact NH1-O 3.16Å; T282-E286 WeakPolarHBondContact O-CG 3.15Å; T282-E286 PolarHBondContact O-N 3.33Å; E286-I290 VanDerWaalsContact O-CD1 3.28Å; E286-I290 WeakPolarHBondContact O-CD1 3.38Å; E286-I290 WeakPolarHBondContact O-CG1 3.16Å
287G96.4Very high97.3Very high1 Ų174 Ų741%0.0138%0.376CS..Hα-helixtrans-89.3-41.5176.900000112.9R108 S283 R284 H285 I291R108-G287 VanDerWaalsContact NH1-N 3.19Å; S283-G287 PolarHBondContact O-N 3.14Å; R284-G287 CarbonylContact O-C 3.5Å; R284-G287 VanDerWaalsContact O-CA 3.3Å; R284-G287 WeakPolarHBondContact O-CA 3.37Å; R284-G287 PolarHBondContact O-N 3.21Å; H285-G287 PolarHBondContact O-N 3.28Å; H285-G287 VanDerWaalsContact O-N 3.09Å; G287-I291 PolarHBondContact O-N 3.17Å
288L97.8Very high97.2Very high85 Ų8575.3 Ų75.345%0.44538%0.384SS..Hα-helixtrans-70.5-42.2177.5-64.2173.6000111.4R284 H285 I290 I291 E292R284-L288 HydrophobicContact CG-CD1 3.96Å; R284-L288 HydrophobicContact CG-CG 4.38Å; R284-L288 WeakPolarHBondContact O-CG 3.4Å; R284-L288 PolarHBondContact O-N 2.8Å; H285-L288 PolarHBondContact O-N 3.49Å; L288-I290 VanDerWaalsContact C-N 3.28Å; L288-I290 PolarHBondContact O-N 3.35Å; L288-I291 CarbonylContact O-C 3.51Å; L288-I291 WeakPolarHBondContact O-CA 3.42Å; L288-I291 WeakPolarHBondContact O-CB 3.36Å; L288-I291 PolarHBondContact O-N 3.43Å; L288-E292 PolarHBondContact O-N 2.88Å
289D98.1Very high97Very high78 Ų7870.4 Ų70.442%0.41737%0.369SS..Hα-helixtrans-54.7-42.2173.7168.591.7000111.9H285 I291 E292 N293H285-D289 PolarHBondContact O-N 2.82Å; D289-I291 VanDerWaalsContact C-N 3.27Å; D289-I291 PolarHBondContact O-N 2.87Å; D289-E292 PolarHBondContact O-N 2.91Å; D289-N293 WeakPolarHBondContact O-CB 3.38Å; D289-N293 PolarHBondContact O-N 2.78Å; D289-N293 PolarHBondContact O-ND2 3.21Å; D289-N293 PolarHBondContact OD1-ND2 3.37Å; D289-N293 PolarHBondContact OD2-ND2 3.4Å
290I97.3Very high96.8Very high73 Ų7370.7 Ų70.737%0.37438%0.376SS..Hα-helixtrans-66.2-28.8177.5-71.6174.5000112.3L101 E286 L288 A294L101-I290 HydrophobicContact CD1-CG2 4.22Å; L101-I290 HydrophobicContact CD2-CG2 3.86Å; L101-I290 HydrophobicContact CG-CG2 4.48Å; E286-I290 VanDerWaalsContact O-CD1 3.28Å; E286-I290 WeakPolarHBondContact O-CD1 3.38Å; E286-I290 WeakPolarHBondContact O-CG1 3.16Å; L288-I290 VanDerWaalsContact C-N 3.28Å; L288-I290 PolarHBondContact O-N 3.35Å; I290-A294 WeakPolarHBondContact O-CB 3.41Å; I290-A294 PolarHBondContact O-N 2.66Å
291I97.1Very high96.6Very high28 Ų2879.3 Ų79.314%0.14441%0.408CS..Hα-helixtrans-79.2-42.2174.7-64.9167.2000110.3L101 L102 Q105 G287 L288 D289 A294 V295L101-I291 HydrophobicContact CB-CG1 4.29Å; L102-I291 HydrophobicContact CD1-CD1 4.09Å; Q105-I291 HydrophobicContact CB-CD1 3.77Å; Q105-I291 HydrophobicContact CG-CD1 4.13Å; G287-I291 PolarHBondContact O-N 3.17Å; L288-I291 CarbonylContact O-C 3.51Å; L288-I291 WeakPolarHBondContact O-CA 3.42Å; L288-I291 WeakPolarHBondContact O-CB 3.36Å; L288-I291 PolarHBondContact O-N 3.43Å; D289-I291 VanDerWaalsContact C-N 3.27Å; D289-I291 PolarHBondContact O-N 2.87Å; I291-A294 CarbonylContact O-C 3.55Å; I291-A294 WeakPolarHBondContact O-CA 3.25Å; I291-A294 WeakPolarHBondContact O-CB 3.11Å; I291-A294 PolarHBondContact O-N 3.24Å; I291-V295 HydrophobicContact CG2-CG2 4.42Å; I291-V295 WeakPolarHBondContact O-CG2 3.35Å; I291-V295 PolarHBondContact O-N 3.46Å
292E97.8Very high96.3Very high121 Ų12176.3 Ų76.357%0.56540%0.398SS*.Hα-helixtrans-57.7-52.6176.5-172.5168.8-159.100111L288 D289 A294 V295 D296L288-E292 PolarHBondContact O-N 2.88Å; D289-E292 PolarHBondContact O-N 2.91Å; E292-A294 PolarHBondContact O-N 3Å; E292-A294 VanDerWaalsContact O-N 3.09Å; E292-V295 PolarHBondContact O-N 2.91Å; E292-D296 PolarHBondContact O-N 2.88Å
293N96.7Very high96.1Very high86 Ų8675 Ų7546%0.4639%0.389SS..Hα-helixtrans-55.8-29.2173-79.8-88.9000113.2D289 S297D289-N293 WeakPolarHBondContact O-CB 3.38Å; D289-N293 PolarHBondContact O-N 2.78Å; D289-N293 PolarHBondContact O-ND2 3.21Å; D289-N293 PolarHBondContact OD1-ND2 3.37Å; D289-N293 PolarHBondContact OD2-ND2 3.4Å; N293-S297 WeakPolarHBondContact O-CB 3.23Å; N293-S297 PolarHBondContact O-N 3.35Å; N293-S297 PolarHBondContact O-OG 2.94Å
294A95.1Very high95.8Very high5 Ų581.6 Ų81.64%0.04141%0.41CS..Hα-helixtrans-81.6-32.717700000113C98 L101 I290 I291 E292 S297C98-A294 PolarHBondContact SG-O 3.36Å; L101-A294 HydrophobicContact CD1-CB 3.51Å; I290-A294 WeakPolarHBondContact O-CB 3.41Å; I290-A294 PolarHBondContact O-N 2.66Å; I291-A294 CarbonylContact O-C 3.55Å; I291-A294 WeakPolarHBondContact O-CA 3.25Å; I291-A294 WeakPolarHBondContact O-CB 3.11Å; I291-A294 PolarHBondContact O-N 3.24Å; E292-A294 PolarHBondContact O-N 3Å; E292-A294 VanDerWaalsContact O-N 3.09Å; A294-S297 WeakPolarHBondContact O-CB 3.48Å; A294-S297 PolarHBondContact O-N 2.7Å
295V96.8Very high95.5Very high74 Ų7484.1 Ų84.145%0.44842%0.424SS..Hα-helixtrans-67.7-43172.3170.40000110.4I291 E292 S297 L298I291-V295 HydrophobicContact CG2-CG2 4.42Å; I291-V295 WeakPolarHBondContact O-CG2 3.35Å; I291-V295 PolarHBondContact O-N 3.46Å; E292-V295 PolarHBondContact O-N 2.91Å; V295-S297 PolarHBondContact O-N 3.01Å; V295-L298 HydrophobicContact CG1-CD1 4.26Å; V295-L298 WeakPolarHBondContact O-CB 3.26Å; V295-L298 WeakPolarHBondContact O-CD1 3.36Å; V295-L298 WeakPolarHBondContact O-CG 3.28Å; V295-L298 PolarHBondContact O-N 3.39Å; V295-L298 VanDerWaalsContact O-N 3.14Å
296D96.4Very high95Very high138 Ų13882 Ų8274%0.73841%0.411SS*.THydrogen-bonded Turntrans-61.4-22.4171.4-79.6-3.1000113E292E292-D296 PolarHBondContact O-N 2.88Å
297S94.4Very high94.6Very high79 Ų7980.9 Ų80.955%0.55240%0.404SS*.THydrogen-bonded Turntrans-89.610.9178.1-62.10000114.3N293 A294 V295 D299N293-S297 WeakPolarHBondContact O-CB 3.23Å; N293-S297 PolarHBondContact O-N 3.35Å; N293-S297 PolarHBondContact O-OG 2.94Å; A294-S297 WeakPolarHBondContact O-CB 3.48Å; A294-S297 PolarHBondContact O-N 2.7Å; V295-S297 PolarHBondContact O-N 3.01Å; S297-D299 PolarHBondContact O-N 2.96Å
298L95.6Very high94.3Very high78 Ų7884.7 Ų84.741%0.40842%0.423SS..  trans-71.7105.8176.6-72.3171.4000111.7S94 P95 V295S94-L298 WeakPolarHBondContact OG-CA 3.29Å; S94-L298 WeakPolarHBondContact OG-CD2 3.42Å; P95-L298 HydrophobicContact CB-CD2 4.37Å; P95-L298 HydrophobicContact CG-CD2 4.04Å; V295-L298 HydrophobicContact CG1-CD1 4.26Å; V295-L298 WeakPolarHBondContact O-CB 3.26Å; V295-L298 WeakPolarHBondContact O-CD1 3.36Å; V295-L298 WeakPolarHBondContact O-CG 3.28Å; V295-L298 PolarHBondContact O-N 3.39Å; V295-L298 VanDerWaalsContact O-N 3.14Å
299D93.4Very high93.8Very high65 Ų6586.6 Ų86.635%0.34843%0.429SS..  trans-125.199.9178.2178.422.4000113.4S94 S297 R301 S302 D303S94-D299 PolarHBondContact OG-N 2.86Å; S297-D299 PolarHBondContact O-N 2.96Å; D299-R301 PolarHBondContact O-N 3.48Å; D299-R301 VanDerWaalsContact O-N 3.08Å; D299-R301 WeakPolarHBondContact OD1-CA 3.24Å; D299-R301 VanDerWaalsContact OD1-CB 3.23Å; D299-R301 WeakPolarHBondContact OD1-CB 3.41Å; D299-R301 PolarHBondContact OD1-N 3.22Å; D299-S302 VanDerWaalsContact CG-N 3.35Å; D299-S302 PolarHBondContact O-N 3.44Å; D299-S302 WeakPolarHBondContact OD2-CB 3.31Å; D299-S302 PolarHBondContact OD2-N 3.09Å; D299-D303 PolarHBondContact O-N 3.4Å
300P93.4Very high93.2Very high103 Ų10388 Ų8867%0.66944%0.435SS*.Hα-helixtrans-58.8-17.6173.1-25.935.4000115.2R304P300-R304 VanDerWaalsContact O-CB 3.26Å; P300-R304 WeakPolarHBondContact O-CB 3.33Å; P300-R304 PolarHBondContact O-N 3.29Å
301R93.6Very high92.7Very high193 Ų19388.7 Ų88.773%0.72843%0.433SS*.Hα-helixtrans-81.5-48.8177.6-56.7178.8176.6-1751.4111D299 D303 R304 Q305D299-R301 PolarHBondContact O-N 3.48Å; D299-R301 VanDerWaalsContact O-N 3.08Å; D299-R301 WeakPolarHBondContact OD1-CA 3.24Å; D299-R301 VanDerWaalsContact OD1-CB 3.23Å; D299-R301 WeakPolarHBondContact OD1-CB 3.41Å; D299-R301 PolarHBondContact OD1-N 3.22Å; R301-D303 VanDerWaalsContact C-N 3.35Å; R301-R304 PolarHBondContact O-N 3.11Å; R301-Q305 PolarHBondContact O-N 3.31Å
302S92.3Very high92.3Very high35 Ų3590.3 Ų90.325%0.24545%0.446CS..Hα-helixtrans-55-49.3168.5164.30000110.8D299 R304 Q305 R306D299-S302 VanDerWaalsContact CG-N 3.35Å; D299-S302 PolarHBondContact O-N 3.44Å; D299-S302 WeakPolarHBondContact OD2-CB 3.31Å; D299-S302 PolarHBondContact OD2-N 3.09Å; S302-R304 PolarHBondContact O-N 3.21Å; S302-Q305 WeakPolarHBondContact O-CB 3.48Å; S302-Q305 PolarHBondContact O-N 3.28Å; S302-Q305 VanDerWaalsContact O-N 3.09Å; S302-R306 WeakPolarHBondContact O-CG 3.4Å; S302-R306 PolarHBondContact O-N 3.2Å; S302-R306 PolarHBondContact OG-NE 2.8Å
303D93Very high92Very high20 Ų2091.2 Ų91.211%0.10746%0.46CS..Hα-helixtrans-63.9-40.9-177.7-74.9-17.7000112.8L93 S94 P95 D299 R301 Q305 R306 F307L93-D303 VanDerWaalsContact CA-OD1 3.31Å; L93-D303 WeakPolarHBondContact CA-OD1 3.45Å; L93-D303 HydrophobicContact CD2-CB 3.97Å; S94-D303 WeakPolarHBondContact CB-OD2 3.24Å; S94-D303 VanDerWaalsContact N-CG 3.3Å; S94-D303 PolarHBondContact N-OD1 2.97Å; S94-D303 PolarHBondContact N-OD2 3.44Å; S94-D303 PolarHBondContact OG-OD2 2.96Å; P95-D303 VanDerWaalsContact CD-OD2 3.31Å; P95-D303 WeakPolarHBondContact CD-OD2 3.29Å; D299-D303 PolarHBondContact O-N 3.4Å; R301-D303 VanDerWaalsContact C-N 3.35Å; D303-Q305 VanDerWaalsContact C-N 3.32Å; D303-Q305 PolarHBondContact O-N 2.99Å; D303-R306 PolarHBondContact O-N 3.33Å; D303-F307 WeakPolarHBondContact O-CB 3.34Å; D303-F307 PolarHBondContact O-N 2.99Å
304R93.9Very high91.8Very high161 Ų16190.5 Ų90.561%0.60847%0.466SS*.Hα-helixtrans-62.4-39.1172.5-176.8-176.264.8-166.5-3.3112.1P300 R301 S302 F307 M308P300-R304 VanDerWaalsContact O-CB 3.26Å; P300-R304 WeakPolarHBondContact O-CB 3.33Å; P300-R304 PolarHBondContact O-N 3.29Å; R301-R304 PolarHBondContact O-N 3.11Å; S302-R304 PolarHBondContact O-N 3.21Å; R304-F307 PolarHBondContact O-N 3.36Å; R304-M308 HydrophobicContact CG-SD 4.46Å; R304-M308 WeakPolarHBondContact O-CG 3.45Å; R304-M308 PolarHBondContact O-N 3.29Å
305Q91.1Very high91.7Very high99 Ų9994.6 Ų94.646%0.46348%0.483SS..Hα-helixtrans-64.8-49.2176.9-175.16426.600110.7R301 S302 D303 F307 M308 E309R301-Q305 PolarHBondContact O-N 3.31Å; S302-Q305 WeakPolarHBondContact O-CB 3.48Å; S302-Q305 PolarHBondContact O-N 3.28Å; S302-Q305 VanDerWaalsContact O-N 3.09Å; D303-Q305 VanDerWaalsContact C-N 3.32Å; D303-Q305 PolarHBondContact O-N 2.99Å; Q305-F307 VanDerWaalsContact C-N 3.32Å; Q305-F307 PolarHBondContact O-N 3.1Å; Q305-M308 PolarHBondContact O-N 3.06Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.46Å; Q305-E309 PolarHBondContact NE2-OE1 3.15Å; Q305-E309 WeakPolarHBondContact O-CB 3.38Å; Q305-E309 WeakPolarHBondContact O-CG 3.42Å; Q305-E309 PolarHBondContact O-N 3.18Å
306R87.9Confident91.5Very high87 Ų8795.2 Ų95.233%0.32849%0.489SS..Hα-helixtrans-55.6-45174.9-68.2172.4-167.9-134.1-8.8111.7Q90 L92 L93 S302 D303 M308 E309 M310Q90-R306 PolarHBondContact O-NH1 3.33Å; L92-R306 PolarHBondContact O-NH1 2.93Å; L93-R306 HydrophobicContact CD2-CB 4Å; S302-R306 WeakPolarHBondContact O-CG 3.4Å; S302-R306 PolarHBondContact O-N 3.2Å; S302-R306 PolarHBondContact OG-NE 2.8Å; D303-R306 PolarHBondContact O-N 3.33Å; R306-M308 PolarHBondContact O-N 3.09Å; R306-E309 PolarHBondContact O-N 3.49Å; R306-M310 VanDerWaalsContact O-CB 3.29Å; R306-M310 WeakPolarHBondContact O-CB 3.45Å; R306-M310 PolarHBondContact O-N 3.22Å
307F87.9Confident91.2Very high90 Ų9094.1 Ų94.140%0.39549%0.49SS..Hα-helixtrans-62.2-42178.2-178.2-99.2000112.6D303 R304 Q305 M310 Y311 F315D303-F307 WeakPolarHBondContact O-CB 3.34Å; D303-F307 PolarHBondContact O-N 2.99Å; R304-F307 PolarHBondContact O-N 3.36Å; Q305-F307 VanDerWaalsContact C-N 3.32Å; Q305-F307 PolarHBondContact O-N 3.1Å; F307-M310 HydrophobicContact CD2-CE 4.32Å; F307-M310 PolarHBondContact O-N 2.82Å; F307-Y311 HydrophobicContact CD2-CD2 4.12Å; F307-Y311 AromaticContact CD2-CE2 3.88Å; F307-Y311 HydrophobicContact CD2-CE2 3.88Å; F307-Y311 AromaticContact CE2-CD2 3.9Å; F307-Y311 HydrophobicContact CE2-CD2 3.9Å; F307-Y311 AromaticContact CE2-CE2 3.55Å; F307-Y311 HydrophobicContact CE2-CE2 3.55Å; F307-Y311 HydrophobicContact CZ-CD2 4.16Å; F307-Y311 HydrophobicContact CZ-CE2 4.18Å; F307-Y311 WeakPolarHBondContact O-CD2 3.42Å; F307-Y311 PolarHBondContact O-N 3.08Å; F307-F315 HydrophobicContact CD1-CE2 4.03Å; F307-F315 HydrophobicContact CD1-CZ 4.28Å; F307-F315 AromaticContact CE1-CE2 3.66Å; F307-F315 HydrophobicContact CE1-CE2 3.66Å; F307-F315 AromaticContact CE1-CZ 3.63Å; F307-F315 HydrophobicContact CE1-CZ 3.63Å; F307-F315 HydrophobicContact CZ-CE2 4.43Å; F307-F315 HydrophobicContact CZ-CZ 4.46Å
308M91.7Very high91.1Very high80 Ų8095.9 Ų95.939%0.39450%0.499SS..Hα-helixtrans-69.5-32.9175.5-69.5-17871.100112.9R304 Q305 R306 F315R304-M308 HydrophobicContact CG-SD 4.46Å; R304-M308 WeakPolarHBondContact O-CG 3.45Å; R304-M308 PolarHBondContact O-N 3.29Å; Q305-M308 PolarHBondContact O-N 3.06Å; R306-M308 PolarHBondContact O-N 3.09Å; M308-F315 HydrophobicContact CB-CB 4.44Å; M308-F315 HydrophobicContact CB-CD2 4.33Å; M308-F315 HydrophobicContact CB-CG 4.45Å; M308-F315 HydrophobicContact CE-CB 4.08Å; M308-F315 HydrophobicContact CE-CG 4.4Å; M308-F315 HydrophobicContact CG-CD2 4.24Å; M308-F315 HydrophobicContact CG-CG 4.19Å
309E87.1Confident90.9Very high125 Ų12598.3 Ų98.358%0.58452%0.518SS*.Hα-helixtrans-74.4-27.4175.1-72.817317800113.2Q305 R306 P312Q305-E309 WeakPolarHBondContact CG-OE1 3.46Å; Q305-E309 PolarHBondContact NE2-OE1 3.15Å; Q305-E309 WeakPolarHBondContact O-CB 3.38Å; Q305-E309 WeakPolarHBondContact O-CG 3.42Å; Q305-E309 PolarHBondContact O-N 3.18Å; R306-E309 PolarHBondContact O-N 3.49Å; E309-P312 WeakPolarHBondContact O-CD 3.47Å
310M85.1Confident90.9Very high107 Ų107104 Ų10453%0.52754%0.539SS..Hα-helixtrans-73.3-31.6176.6-171.5157.971.300112.6R306 F307 P312R306-M310 VanDerWaalsContact O-CB 3.29Å; R306-M310 WeakPolarHBondContact O-CB 3.45Å; R306-M310 PolarHBondContact O-N 3.22Å; F307-M310 HydrophobicContact CD2-CE 4.32Å; F307-M310 PolarHBondContact O-N 2.82Å; M310-P312 VanDerWaalsContact O-CD 3.27Å; M310-P312 WeakPolarHBondContact O-CD 3.26Å
311Y85.7Confident90.9Very high88 Ų88108.5 Ų108.535%0.34555%0.549SS..  trans-11959.6179.5-57.3-71.6000113F307 T313 A314 F315F307-Y311 HydrophobicContact CD2-CD2 4.12Å; F307-Y311 AromaticContact CD2-CE2 3.88Å; F307-Y311 HydrophobicContact CD2-CE2 3.88Å; F307-Y311 AromaticContact CE2-CD2 3.9Å; F307-Y311 HydrophobicContact CE2-CD2 3.9Å; F307-Y311 AromaticContact CE2-CE2 3.55Å; F307-Y311 HydrophobicContact CE2-CE2 3.55Å; F307-Y311 HydrophobicContact CZ-CD2 4.16Å; F307-Y311 HydrophobicContact CZ-CE2 4.18Å; F307-Y311 WeakPolarHBondContact O-CD2 3.42Å; F307-Y311 PolarHBondContact O-N 3.08Å; Y311-T313 PolarHBondContact O-N 3.02Å; Y311-A314 PolarHBondContact O-N 3.25Å; Y311-F315 HydrophobicContact CD2-CE2 4.46Å; Y311-F315 WeakPolarHBondContact O-CD2 2.94Å; Y311-F315 PolarHBondContact O-N 2.72Å; Y311-F315 VanDerWaalsContact O-N 3.14Å
312P89.1Confident90.9Very high62 Ų62106.7 Ų106.740%0.40355%0.548SS..Hα-helixtrans-64.9-29-174.228.5-35000112.2E309 M310 A314 F315 C316E309-P312 WeakPolarHBondContact O-CD 3.47Å; M310-P312 VanDerWaalsContact O-CD 3.27Å; M310-P312 WeakPolarHBondContact O-CD 3.26Å; P312-A314 PolarHBondContact O-N 3.49Å; P312-F315 PolarHBondContact O-N 3.5Å; P312-C316 WeakPolarHBondContact O-CB 3.24Å; P312-C316 PolarHBondContact O-N 2.97Å; P312-C316 PolarHBondContact O-SG 3.08Å
313T91.1Very high90.8Very high140 Ų140110.9 Ų110.986%0.85956%0.562SS**Hα-helixtrans-63-26.8174.245.40000113.6Y311Y311-T313 PolarHBondContact O-N 3.02Å
314A92.3Very high90.8Very high72 Ų72117.2 Ų117.260%0.59559%0.592SS**Hα-helixtrans-90.6-37.9176.700000112.4Y311 P312Y311-A314 PolarHBondContact O-N 3.25Å; P312-A314 PolarHBondContact O-N 3.49Å
315F93.4Very high90.6Very high91 Ų91112.9 Ų112.940%0.39959%0.586SS.*Hα-helixtrans-103.6-10.6-169.7-62.3-62.8000115.9F307 M308 Y311 P312F307-F315 HydrophobicContact CD1-CE2 4.03Å; F307-F315 HydrophobicContact CD1-CZ 4.28Å; F307-F315 AromaticContact CE1-CE2 3.66Å; F307-F315 HydrophobicContact CE1-CE2 3.66Å; F307-F315 AromaticContact CE1-CZ 3.63Å; F307-F315 HydrophobicContact CE1-CZ 3.63Å; F307-F315 HydrophobicContact CZ-CE2 4.43Å; F307-F315 HydrophobicContact CZ-CZ 4.46Å; M308-F315 HydrophobicContact CB-CB 4.44Å; M308-F315 HydrophobicContact CB-CD2 4.33Å; M308-F315 HydrophobicContact CB-CG 4.45Å; M308-F315 HydrophobicContact CE-CB 4.08Å; M308-F315 HydrophobicContact CE-CG 4.4Å; M308-F315 HydrophobicContact CG-CD2 4.24Å; M308-F315 HydrophobicContact CG-CG 4.19Å; Y311-F315 HydrophobicContact CD2-CE2 4.46Å; Y311-F315 WeakPolarHBondContact O-CD2 2.94Å; Y311-F315 PolarHBondContact O-N 2.72Å; Y311-F315 VanDerWaalsContact O-N 3.14Å; P312-F315 PolarHBondContact O-N 3.5Å
316C92.3Very high90.6Very high86 Ų86115.4 Ų115.458%0.58160%0.597SS**SBendtrans-65.7133.3172.5-79.20000111.5P312P312-C316 WeakPolarHBondContact O-CB 3.24Å; P312-C316 PolarHBondContact O-N 2.97Å; P312-C316 PolarHBondContact O-SG 3.08Å
317P91.6Very high90.7Very high116 Ų116119.6 Ų119.675%0.75362%0.623SS**PPolyproline II helixtrans-67.4138.1-179.827.3-34.4000111.4
318P91.5Very high90.6Very high115 Ų115118 Ų11875%0.74763%0.632SS**PPolyproline II helixtrans-69159179.429.3-35.9000112.1K320P318-K320 PolarHBondContact O-N 3.02Å
319T92.4Very high90.7Very high129 Ų129117.8 Ų117.879%0.79163%0.632SS**PPolyproline II helixtrans-55129.5173.551.90000111.2F321T319-F321 PolarHBondContact O-N 2.92Å
320K93.4Very high90.7Very high186 Ų186120.7 Ų120.781%0.80965%0.646SS**PPolyproline II helixtrans-56.7135.7178.2-177.7-176.3173.8-170.50111.3P318P318-K320 PolarHBondContact O-N 3.02Å
321F92.6Very high90.7Very high196 Ų196118.5 Ų118.586%0.8664%0.639SS**PPolyproline II helixtrans-67.3133.3173.3-59.5-72.3000111.6T319T319-F321 PolarHBondContact O-N 2.92Å
322E92.9Very high90.7Very high155 Ų155118.9 Ų118.972%0.72465%0.653SS**  trans-112.1151.9177.5-59.4-168.5147.900111.2Q324E322-Q324 PolarHBondContact O-N 3.4Å; E322-Q324 PolarHBondContact O-NE2 3.35Å
323F91.8Very high90.6Very high123 Ų123122.1 Ų122.154%0.53966%0.662SS.*  trans-61.1122.8175173.4-102.4000110.3C332F323-C332 HydrophobicContact CD1-CB 4.06Å; F323-C332 HydrophobicContact CE1-CB 4.31Å
324Q91.7Very high90.5Very high154 Ų154118 Ų11872%0.7263%0.634SS**  trans-96.5109.9176.5-55.6-58.2-70.500108.2E322 H326E322-Q324 PolarHBondContact O-N 3.4Å; E322-Q324 PolarHBondContact O-NE2 3.35Å; Q324-H326 PolarHBondContact O-N 2.74Å
325S90.9Very high90.3Very high70 Ų70117.4 Ų117.449%0.4962%0.624SS.*  trans-66.6128177.547.30000110.9D329S325-D329 WeakPolarHBondContact CB-O 3.22Å
326H90.9Very high89.8Confident152 Ų152114.8 Ų114.870%0.70462%0.619SS**SBendtrans-88.1128.3179.1-180-104.3000109.8Q324 G328 D329Q324-H326 PolarHBondContact O-N 2.74Å; H326-G328 PolarHBondContact O-N 2.94Å; H326-D329 WeakPolarHBondContact O-CB 3.14Å; H326-D329 PolarHBondContact O-N 3.05Å; H326-D329 VanDerWaalsContact O-N 3.07Å
327M88.6Confident89.2Confident174 Ų174116.7 Ų116.786%0.85762%0.619SS**THydrogen-bonded Turntrans53.427177.1-62.2-66.5-7300115.2
328G87.2Confident88.6Confident58 Ų58116.7 Ų116.760%0.59862%0.619SS**THydrogen-bonded Turntrans8816.3179.800000115.4H326 E330H326-G328 PolarHBondContact O-N 2.94Å; G328-E330 PolarHBondContact O-N 2.98Å
329D93.3Very high87.9Confident74 Ų74116.4 Ų116.440%0.39662%0.617SS.*  trans-50.1119.7174-173.62.1000112.6S325 H326 V331S325-D329 WeakPolarHBondContact CB-O 3.22Å; H326-D329 WeakPolarHBondContact O-CB 3.14Å; H326-D329 PolarHBondContact O-N 3.05Å; H326-D329 VanDerWaalsContact O-N 3.07Å; D329-V331 VanDerWaalsContact C-N 3.33Å; D329-V331 WeakPolarHBondContact OD1-CB 3.4Å; D329-V331 PolarHBondContact OD1-N 3.28Å
330E86.6Confident87.6Confident187 Ų187113.2 Ų113.287%0.87460%0.597SS**  trans-81.3-12-179.7-58.4-173.8163.300112.5G328 C332G328-E330 PolarHBondContact O-N 2.98Å; E330-C332 PolarHBondContact O-N 2.78Å
331V86.6Confident87.2Confident61 Ų61106.9 Ų106.937%0.3757%0.572SS.*  trans-90.690.2-172.9-172.90000111.6D329 H333D329-V331 VanDerWaalsContact C-N 3.33Å; D329-V331 WeakPolarHBondContact OD1-CB 3.4Å; D329-V331 PolarHBondContact OD1-N 3.28Å; V331-H333 WeakPolarHBondContact CG1-O 3.36Å
332C85.6Confident86.9Confident95 Ų95100 Ų10064%0.64256%0.556SS**  trans-89.811.9178.664.80000115.5F323 E330F323-C332 HydrophobicContact CD1-CB 4.06Å; F323-C332 HydrophobicContact CE1-CB 4.31Å; E330-C332 PolarHBondContact O-N 2.78Å
333H86.7Confident86.8Confident130 Ų13099.3 Ų99.360%0.60255%0.553SS**SBendtrans-142.3163.3-172.561.6-86.6000112.5V331 T335V331-H333 WeakPolarHBondContact CG1-O 3.36Å; H333-T335 PolarHBondContact O-N 2.88Å
334I89.3Confident86.8Confident53 Ų5395.1 Ų95.127%0.27254%0.536SS..  trans-70.4123180-58.8-176.3000110.4L344 L451 L452 T455I334-L344 HydrophobicContact CG2-CD1 4Å; I334-L344 HydrophobicContact CG2-CD2 4.49Å; I334-L451 HydrophobicContact CD1-CD2 3.77Å; I334-L451 HydrophobicContact CD1-CG 3.72Å; I334-L451 HydrophobicContact CG1-CD2 4.33Å; I334-L451 HydrophobicContact CG1-CG 4.43Å; I334-L452 HydrophobicContact CD1-CD2 3.87Å; I334-T455 HydrophobicContact CB-CG2 3.94Å; I334-T455 HydrophobicContact CG2-CG2 3.97Å; I334-T455 WeakPolarHBondContact O-CG2 3.26Å
335T87.2Confident86.7Confident61 Ų6191 Ų9137%0.37452%0.518SS..  trans-89.2111.1176.2-47.70000111.6H333 Q337 V340H333-T335 PolarHBondContact O-N 2.88Å; T335-Q337 HydrophobicContact CG2-CB 4.28Å; T335-Q337 HydrophobicContact CG2-CG 3.81Å; T335-Q337 PolarHBondContact O-N 3.49Å; T335-V340 WeakPolarHBondContact O-CG2 3.48Å
336A82.5Confident86.7Confident35 Ų3592.2 Ų92.229%0.28952%0.519SS..  trans-96.849.9179.500000113.4L344 T455 L456A336-L344 HydrophobicContact CB-CD1 4.13Å; A336-T455 HydrophobicContact CB-CG2 4Å; A336-L456 HydrophobicContact CB-CD2 4.29Å
337Q81.1Confident86.8Confident127 Ų12791.8 Ų91.859%0.59351%0.511SS*.  trans-74.3157.7179.2-83.7-173.719.900112.9T335 P339 V340 N341T335-Q337 HydrophobicContact CG2-CB 4.28Å; T335-Q337 HydrophobicContact CG2-CG 3.81Å; T335-Q337 PolarHBondContact O-N 3.49Å; Q337-P339 VanDerWaalsContact C-CD 3.46Å; Q337-P339 VanDerWaalsContact O-N 3.14Å; Q337-V340 VanDerWaalsContact O-CG2 3.26Å; Q337-V340 WeakPolarHBondContact O-CG2 3.45Å; Q337-V340 PolarHBondContact O-N 3.35Å; Q337-N341 WeakPolarHBondContact O-CB 3.32Å; Q337-N341 PolarHBondContact O-N 2.99Å
338P78.5Confident87.1Confident116 Ų11685.2 Ų85.275%0.75348%0.478SS*.Hα-helixtrans-46.3-44.6-169.3-31.636.5000118.3V340P338-V340 VanDerWaalsContact C-N 3.3Å; P338-V340 PolarHBondContact O-N 2.82Å
339P77.3Confident87.4Confident108 Ų10887.6 Ų87.670%0.70147%0.473SS*.Hα-helixtrans-69.4-24-178.827.5-35.4000113.9Q337Q337-P339 VanDerWaalsContact C-CD 3.46Å; Q337-P339 VanDerWaalsContact O-N 3.14Å
340V84.4Confident87.4Confident62 Ų6288.1 Ų88.138%0.37647%0.473SS..Hα-helixtrans-106.6-19.5-178.7-65.10000113.3T335 Q337 P338 G342 E343 L344T335-V340 WeakPolarHBondContact O-CG2 3.48Å; Q337-V340 VanDerWaalsContact O-CG2 3.26Å; Q337-V340 WeakPolarHBondContact O-CG2 3.45Å; Q337-V340 PolarHBondContact O-N 3.35Å; P338-V340 VanDerWaalsContact C-N 3.3Å; P338-V340 PolarHBondContact O-N 2.82Å; V340-G342 VanDerWaalsContact C-N 3.31Å; V340-G342 PolarHBondContact O-N 3.32Å; V340-E343 PolarHBondContact O-N 3.35Å; V340-E343 VanDerWaalsContact O-N 3.12Å; V340-L344 HydrophobicContact CG2-CD1 4.44Å; V340-L344 WeakPolarHBondContact O-CG 3.2Å; V340-L344 PolarHBondContact O-N 2.99Å
341N86.4Confident87.8Confident54 Ų5480 Ų8029%0.28944%0.436SS..Hα-helixtrans-58.7-40.6-176.2-168.321.9000112.6Q337 E343 L344 I345 L456Q337-N341 WeakPolarHBondContact O-CB 3.32Å; Q337-N341 PolarHBondContact O-N 2.99Å; N341-E343 VanDerWaalsContact C-N 3.35Å; N341-E343 PolarHBondContact O-N 3.36Å; N341-L344 PolarHBondContact O-N 3.45Å; N341-I345 VanDerWaalsContact O-CG1 3.29Å; N341-I345 WeakPolarHBondContact O-CG1 3.44Å; N341-I345 PolarHBondContact O-N 2.91Å; N341-L456 WeakPolarHBondContact OD1-CD2 3.17Å
342G86.5Confident88.2Confident50 Ų5081.9 Ų81.952%0.51544%0.441SS..Hα-helixtrans-60.9-40.8176.300000113.2V340 L346V340-G342 VanDerWaalsContact C-N 3.31Å; V340-G342 PolarHBondContact O-N 3.32Å; G342-L346 WeakPolarHBondContact O-CB 3.43Å; G342-L346 PolarHBondContact O-N 2.97Å
343E90Very high88.7Confident142 Ų14280.9 Ų80.966%0.66443%0.434SS*.Hα-helixtrans-67.3-41.4175.5-60.1-171.1174.500111.7V340 N341 L346 R347V340-E343 PolarHBondContact O-N 3.35Å; V340-E343 VanDerWaalsContact O-N 3.12Å; N341-E343 VanDerWaalsContact C-N 3.35Å; N341-E343 PolarHBondContact O-N 3.36Å; E343-L346 PolarHBondContact O-N 3.35Å; E343-R347 WeakPolarHBondContact O-CB 3.41Å; E343-R347 PolarHBondContact O-N 3.17Å
344L90.7Very high89.2Confident35 Ų3581.7 Ų81.718%0.18343%0.432CS..Hα-helixtrans-64.3-40.6177.6-65.6173.9000112.1I334 A336 V340 N341 R347 F348 L452 L456I334-L344 HydrophobicContact CG2-CD1 4Å; I334-L344 HydrophobicContact CG2-CD2 4.49Å; A336-L344 HydrophobicContact CB-CD1 4.13Å; V340-L344 HydrophobicContact CG2-CD1 4.44Å; V340-L344 WeakPolarHBondContact O-CG 3.2Å; V340-L344 PolarHBondContact O-N 2.99Å; N341-L344 PolarHBondContact O-N 3.45Å; L344-R347 PolarHBondContact O-N 3.14Å; L344-F348 WeakPolarHBondContact O-CB 3.3Å; L344-F348 PolarHBondContact O-N 3.19Å; L344-L452 HydrophobicContact CB-CD2 4.5Å; L344-L452 HydrophobicContact CD2-CD2 3.88Å; L344-L456 HydrophobicContact CB-CD1 4.49Å; L344-L456 HydrophobicContact CB-CD2 4.21Å
345I90.3Very high89.5Confident66 Ų6679.4 Ų79.434%0.33842%0.421SS..Hα-helixtrans-64.8-47.8175.3-68.6165.4000110.8N341 R347 F348 Q349 L456N341-I345 VanDerWaalsContact O-CG1 3.29Å; N341-I345 WeakPolarHBondContact O-CG1 3.44Å; N341-I345 PolarHBondContact O-N 2.91Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 3.2Å; I345-F348 PolarHBondContact O-N 3.49Å; I345-Q349 WeakPolarHBondContact O-CG 3.44Å; I345-Q349 PolarHBondContact O-N 2.93Å; I345-L456 HydrophobicContact CG1-CD1 4.1Å; I345-L456 HydrophobicContact CG1-CD2 3.94Å
346L91.5Very high90Very high96 Ų9679.1 Ų79.150%0.50342%0.424SS..Hα-helixtrans-60.3-40.6175.6-179.662.5000111.1G342 E343 Q349 Q350G342-L346 WeakPolarHBondContact O-CB 3.43Å; G342-L346 PolarHBondContact O-N 2.97Å; E343-L346 PolarHBondContact O-N 3.35Å; L346-Q349 PolarHBondContact O-N 2.93Å; L346-Q350 VanDerWaalsContact O-CG 3.3Å; L346-Q350 WeakPolarHBondContact O-CG 3.35Å; L346-Q350 PolarHBondContact O-N 3.42Å
347R93.4Very high90.6Very high143 Ų14381 Ų8154%0.5443%0.433SS..Hα-helixtrans-68.5-36.4178.7-167.354.3157.4-173.5-6.5112.7E343 L344 I345 L351 L452E343-R347 WeakPolarHBondContact O-CB 3.41Å; E343-R347 PolarHBondContact O-N 3.17Å; L344-R347 PolarHBondContact O-N 3.14Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 3.2Å; R347-L351 HydrophobicContact CG-CD1 4.49Å; R347-L351 VanDerWaalsContact O-CG 3.29Å; R347-L351 WeakPolarHBondContact O-CG 3.46Å; R347-L351 PolarHBondContact O-N 3Å; R347-L452 HydrophobicContact CG-CD1 4.48Å
348F93.7Very high91.4Very high36 Ų3676.2 Ų76.216%0.15841%0.411CS..Hα-helixtrans-61.7-48.4172.1169.8-103.1000111.1L344 I345 Q350 L351 Q352 H449 L452 K453 L456L344-F348 WeakPolarHBondContact O-CB 3.3Å; L344-F348 PolarHBondContact O-N 3.19Å; I345-F348 PolarHBondContact O-N 3.49Å; F348-Q350 PolarHBondContact O-N 3.23Å; F348-L351 PolarHBondContact O-N 2.67Å; F348-Q352 WeakPolarHBondContact O-CB 3.49Å; F348-Q352 PolarHBondContact O-N 3.15Å; F348-H449 AromaticContact CD2-CD2 3.92Å; F348-H449 AromaticContact CE2-CD2 3.48Å; F348-H449 VanDerWaalsContact CE2-CD2 3.48Å; F348-H449 WeakPolarHBondContact CE2-CD2 3.47Å; F348-H449 AromaticContact CE2-CE1 3.91Å; F348-H449 AromaticContact CE2-NE2 3.36Å; F348-H449 WeakPolarHBondContact CE2-NE2 3.3Å; F348-H449 AromaticContact CZ-NE2 3.77Å; F348-L452 HydrophobicContact CB-CB 4.34Å; F348-L452 HydrophobicContact CB-CD1 4.44Å; F348-L452 HydrophobicContact CD2-CB 4.14Å; F348-K453 HydrophobicContact CD2-CB 4.45Å; F348-K453 HydrophobicContact CE2-CB 3.73Å; F348-K453 HydrophobicContact CE2-CG 4.05Å; F348-K453 HydrophobicContact CZ-CB 4.4Å; F348-K453 HydrophobicContact CZ-CG 4.23Å; F348-L456 HydrophobicContact CB-CD1 3.67Å; F348-L456 HydrophobicContact CG-CD1 4.1Å
349Q93.2Very high92.3Very high109 Ų10975 Ų7551%0.50939%0.394SS..Hα-helixtrans-61.6-42.8177-68.9174.9-2.200112.4I345 L346 L351 Q352 S353I345-Q349 WeakPolarHBondContact O-CG 3.44Å; I345-Q349 PolarHBondContact O-N 2.93Å; L346-Q349 PolarHBondContact O-N 2.93Å; Q349-L351 VanDerWaalsContact C-N 3.32Å; Q349-L351 PolarHBondContact O-N 3.04Å; Q349-Q352 PolarHBondContact O-N 3.05Å; Q349-S353 PolarHBondContact O-N 3.44Å; Q349-S353 PolarHBondContact O-OG 2.89Å
350Q94.1Very high93.2Very high85 Ų8574.9 Ų74.940%0.39739%0.386SS..Hα-helixtrans-59.8-38.7174-75.2173.85.300113.1L346 F348 S353 R354L346-Q350 VanDerWaalsContact O-CG 3.3Å; L346-Q350 WeakPolarHBondContact O-CG 3.35Å; L346-Q350 PolarHBondContact O-N 3.42Å; F348-Q350 PolarHBondContact O-N 3.23Å; Q350-S353 PolarHBondContact O-OG 3.44Å; Q350-R354 WeakPolarHBondContact O-CB 3.38Å; Q350-R354 PolarHBondContact O-N 3.49Å
351L95.1Very high93.8Very high16 Ų1676.6 Ų76.68%0.08439%0.39CS..Hα-helixtrans-71.5-41.2176.2-73.1168000111.1R347 F348 Q349 L355 L445 K448 H449 L452R347-L351 HydrophobicContact CG-CD1 4.49Å; R347-L351 VanDerWaalsContact O-CG 3.29Å; R347-L351 WeakPolarHBondContact O-CG 3.46Å; R347-L351 PolarHBondContact O-N 3Å; F348-L351 PolarHBondContact O-N 2.67Å; Q349-L351 VanDerWaalsContact C-N 3.32Å; Q349-L351 PolarHBondContact O-N 3.04Å; L351-L355 VanDerWaalsContact O-CB 3.22Å; L351-L355 WeakPolarHBondContact O-CB 3.49Å; L351-L355 WeakPolarHBondContact O-CD1 3.37Å; L351-L355 VanDerWaalsContact O-CG 3.26Å; L351-L355 WeakPolarHBondContact O-CG 3.42Å; L351-L355 PolarHBondContact O-N 3.28Å; L351-L445 HydrophobicContact CD2-CB 4.27Å; L351-L445 HydrophobicContact CD2-CD2 3.74Å; L351-L445 HydrophobicContact CD2-CG 4.48Å; L351-K448 HydrophobicContact CD1-CB 4.15Å; L351-H449 HydrophobicContact CB-CB 4.23Å; L351-L452 HydrophobicContact CD1-CD1 3.84Å
352Q95.1Very high94.3Very high101 Ų10174.7 Ų74.747%0.47238%0.38SS..Hα-helixtrans-63-46.9-179.2-171.31803.500112F348 Q349 L355 A356F348-Q352 WeakPolarHBondContact O-CB 3.49Å; F348-Q352 PolarHBondContact O-N 3.15Å; Q349-Q352 PolarHBondContact O-N 3.05Å; Q352-L355 PolarHBondContact O-N 3.25Å; Q352-A356 PolarHBondContact O-N 3.18Å; Q352-A356 VanDerWaalsContact O-N 3.15Å
353S95.4Very high94.9Very high73 Ų7376 Ų7651%0.5137%0.373SS..Hα-helixtrans-65.9-46.6178.159.10000111.8Q349 Q350 L355 A356 T357Q349-S353 PolarHBondContact O-N 3.44Å; Q349-S353 PolarHBondContact O-OG 2.89Å; Q350-S353 PolarHBondContact O-OG 3.44Å; S353-L355 VanDerWaalsContact C-N 3.31Å; S353-L355 PolarHBondContact O-N 3.14Å; S353-A356 WeakPolarHBondContact O-CB 3.39Å; S353-A356 PolarHBondContact O-N 3.05Å; S353-A356 VanDerWaalsContact O-N 3.11Å; S353-T357 PolarHBondContact O-N 3.26Å
354R96.6Very high95.2Very high147 Ų14774.9 Ų74.956%0.55537%0.367SS*.Hα-helixtrans-63.3-34.9177.8-173.5171.2-178.4156.93.4112.9Q350 A356 L358 L445Q350-R354 WeakPolarHBondContact O-CB 3.38Å; Q350-R354 PolarHBondContact O-N 3.49Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-L358 HydrophobicContact CG-CD1 3.87Å; R354-L358 HydrophobicContact CG-CG 4.36Å; R354-L358 WeakPolarHBondContact O-CB 3.43Å; R354-L358 WeakPolarHBondContact O-CG 3.41Å; R354-L358 PolarHBondContact O-N 3.01Å; R354-L358 VanDerWaalsContact O-N 3.12Å; R354-L445 HydrophobicContact CG-CD1 4.29Å
355L97.4Very high95.5Very high5 Ų574.1 Ų74.13%0.02636%0.364CS..Hα-helixtrans-68.4-30.8174.2-83.5165.4000113L351 Q352 S353 K359 I442 L445 Q446 H449L351-L355 VanDerWaalsContact O-CB 3.22Å; L351-L355 WeakPolarHBondContact O-CB 3.49Å; L351-L355 WeakPolarHBondContact O-CD1 3.37Å; L351-L355 VanDerWaalsContact O-CG 3.26Å; L351-L355 WeakPolarHBondContact O-CG 3.42Å; L351-L355 PolarHBondContact O-N 3.28Å; Q352-L355 PolarHBondContact O-N 3.25Å; S353-L355 VanDerWaalsContact C-N 3.31Å; S353-L355 PolarHBondContact O-N 3.14Å; L355-K359 WeakPolarHBondContact O-CB 3.47Å; L355-K359 WeakPolarHBondContact O-CD 3.44Å; L355-K359 WeakPolarHBondContact O-CG 3.5Å; L355-K359 PolarHBondContact O-N 3.04Å; L355-I442 HydrophobicContact CD2-CG2 4.09Å; L355-L445 HydrophobicContact CD1-CB 4.38Å; L355-L445 HydrophobicContact CD2-CB 3.83Å; L355-L445 HydrophobicContact CG-CB 4.05Å; L355-Q446 HydrophobicContact CD1-CB 4.47Å; L355-Q446 HydrophobicContact CD2-CB 4.13Å; L355-H449 HydrophobicContact CD1-CB 3.54Å
356A96.1Very high95.9Very high55 Ų5573.2 Ų73.246%0.45536%0.358SS..Hα-helixtrans-66.6-48.8175.900000110.9Q352 S353 R354 I360Q352-A356 PolarHBondContact O-N 3.18Å; Q352-A356 VanDerWaalsContact O-N 3.15Å; S353-A356 WeakPolarHBondContact O-CB 3.39Å; S353-A356 PolarHBondContact O-N 3.05Å; S353-A356 VanDerWaalsContact O-N 3.11Å; R354-A356 VanDerWaalsContact C-N 3.34Å; A356-I360 WeakPolarHBondContact O-CG1 3.38Å; A356-I360 PolarHBondContact O-N 2.73Å
357T96.4Very high96.2Very high76 Ų7674.8 Ų74.847%0.46636%0.36SS..Hα-helixtrans-60.6-55.7177.5-51.70000111.9S353 K359 I360 E361S353-T357 PolarHBondContact O-N 3.26Å; T357-K359 PolarHBondContact O-N 3.48Å; T357-K359 VanDerWaalsContact O-N 3.14Å; T357-I360 PolarHBondContact O-N 3.39Å; T357-E361 HydrophobicContact CG2-CG 4.48Å; T357-E361 WeakPolarHBondContact CG2-OE1 3.46Å; T357-E361 PolarHBondContact O-N 2.92Å
358L96.9Very high96.4Very high25 Ų2570.5 Ų70.513%0.13135%0.35CS..Hα-helixtrans-58.1-33.4-176.6-73.3169.8000113.2R354 N362 L441 I442 L445R354-L358 HydrophobicContact CG-CD1 3.87Å; R354-L358 HydrophobicContact CG-CG 4.36Å; R354-L358 WeakPolarHBondContact O-CB 3.43Å; R354-L358 WeakPolarHBondContact O-CG 3.41Å; R354-L358 PolarHBondContact O-N 3.01Å; R354-L358 VanDerWaalsContact O-N 3.12Å; L358-N362 WeakPolarHBondContact O-CB 3.46Å; L358-N362 PolarHBondContact O-N 3.35Å; L358-L441 HydrophobicContact CD1-CD2 3.78Å; L358-L441 HydrophobicContact CD1-CG 4.01Å; L358-L441 HydrophobicContact CD2-CD2 4.02Å; L358-I442 HydrophobicContact CB-CD1 4.34Å; L358-I442 HydrophobicContact CB-CG1 3.9Å; L358-L445 HydrophobicContact CD1-CD1 3.71Å
359K97.5Very high96.6Very high91 Ų9169.1 Ų69.140%0.39635%0.345SS..Hα-helixtrans-70.1-32178.3-78.5176.5-176.3-178.20113.4L355 T357 E363 I442 Q446L355-K359 WeakPolarHBondContact O-CB 3.47Å; L355-K359 WeakPolarHBondContact O-CD 3.44Å; L355-K359 WeakPolarHBondContact O-CG 3.5Å; L355-K359 PolarHBondContact O-N 3.04Å; T357-K359 PolarHBondContact O-N 3.48Å; T357-K359 VanDerWaalsContact O-N 3.14Å; K359-E363 WeakPolarHBondContact O-CB 3.49Å; K359-E363 WeakPolarHBondContact O-CG 3.4Å; K359-E363 PolarHBondContact O-N 3.09Å; K359-I442 HydrophobicContact CG-CD1 4.13Å; K359-I442 HydrophobicContact CG-CG1 4.44Å; K359-I442 HydrophobicContact CG-CG2 4.11Å; K359-Q446 VanDerWaalsContact CE-OE1 3.28Å
360I97.1Very high96.8Very high106 Ų10668.6 Ų68.654%0.54434%0.343SS..Hα-helixtrans-70.9-54.3176.5-63.9166.2000108.5A356 T357 N362 E363 E364A356-I360 WeakPolarHBondContact O-CG1 3.38Å; A356-I360 PolarHBondContact O-N 2.73Å; T357-I360 PolarHBondContact O-N 3.39Å; I360-N362 VanDerWaalsContact C-N 3.3Å; I360-N362 PolarHBondContact O-N 2.94Å; I360-E363 PolarHBondContact O-N 2.67Å; I360-E363 VanDerWaalsContact O-N 3.15Å; I360-E364 PolarHBondContact O-N 2.87Å
361E96.4Very high97Very high97 Ų9767.3 Ų67.345%0.45335%0.347SS..Hα-helixtrans-51.4-48.3176.9-64.1167.9161.800111.5T357 E363 E364 V365T357-E361 HydrophobicContact CG2-CG 4.48Å; T357-E361 WeakPolarHBondContact CG2-OE1 3.46Å; T357-E361 PolarHBondContact O-N 2.92Å; E361-E363 PolarHBondContact O-N 2.85Å; E361-E364 PolarHBondContact O-N 3.01Å; E361-V365 WeakPolarHBondContact O-CG2 3.3Å; E361-V365 PolarHBondContact O-N 2.95Å; E361-V365 VanDerWaalsContact O-N 3.1Å
362N97.4Very high97.1Very high14 Ų1467.2 Ų67.28%0.07535%0.347CS..Hα-helixtrans-71.9-29.5-177.2-167.891.2000114L358 I360 K366 F435 G438 S439 I442L358-N362 WeakPolarHBondContact O-CB 3.46Å; L358-N362 PolarHBondContact O-N 3.35Å; I360-N362 VanDerWaalsContact C-N 3.3Å; I360-N362 PolarHBondContact O-N 2.94Å; N362-K366 VanDerWaalsContact O-CB 3.24Å; N362-K366 WeakPolarHBondContact O-CB 3.45Å; N362-K366 PolarHBondContact O-N 3.12Å; N362-F435 WeakPolarHBondContact ND2-CD2 3.13Å; N362-F435 VanDerWaalsContact ND2-CE2 3.26Å; N362-F435 WeakPolarHBondContact ND2-CE2 3.38Å; N362-F435 PolarHBondContact OD1-O 3.18Å; N362-F435 VanDerWaalsContact OD1-O 3.04Å; N362-G438 VanDerWaalsContact OD1-CA 3.25Å; N362-G438 WeakPolarHBondContact OD1-CA 3.43Å; N362-S439 PolarHBondContact OD1-N 3.41Å; N362-I442 HydrophobicContact CB-CD1 3.55Å
363E97.7Very high97.2Very high79 Ų7965.2 Ų65.237%0.36934%0.339SS..Hα-helixtrans-76-26.2173.1-80.5-72.2139.700112.3K359 I360 E361 K366 K367K359-E363 WeakPolarHBondContact O-CB 3.49Å; K359-E363 WeakPolarHBondContact O-CG 3.4Å; K359-E363 PolarHBondContact O-N 3.09Å; I360-E363 PolarHBondContact O-N 2.67Å; I360-E363 VanDerWaalsContact O-N 3.15Å; E361-E363 PolarHBondContact O-N 2.85Å; E363-K366 WeakPolarHBondContact OE1-CD 3.21Å; E363-K366 IonicContact OE1-NZ 3.59Å; E363-K366 PolarHBondContact OE1-NZ 2.75Å; E363-K366 IonicContact OE2-NZ 2.81Å; E363-K366 PolarHBondContact OE2-NZ 3.42Å; E363-K367 WeakPolarHBondContact O-CD 3.44Å; E363-K367 VanDerWaalsContact O-CG 3.26Å; E363-K367 WeakPolarHBondContact O-CG 3.49Å; E363-K367 PolarHBondContact O-N 2.92Å; E363-K367 VanDerWaalsContact O-N 3.09Å
364E97.4Very high97.3Very high118 Ų11865 Ų6555%0.55134%0.335SS*.Hα-helixtrans-68.9-49.8170.3-70.3176.1176.500110.9I360 E361 K366 K367 T368I360-E364 PolarHBondContact O-N 2.87Å; E361-E364 PolarHBondContact O-N 3.01Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.07Å; E364-K367 PolarHBondContact O-N 2.89Å; E364-T368 PolarHBondContact O-N 3.47Å; E364-T368 PolarHBondContact O-OG1 3.24Å
365V97.6Very high97.3Very high19 Ų1961 Ų6112%0.11533%0.326CS..Hα-helixtrans-58.1-41.6174.6177.30000111.6E361 T368 S369 K431 E434 F435E361-V365 WeakPolarHBondContact O-CG2 3.3Å; E361-V365 PolarHBondContact O-N 2.95Å; E361-V365 VanDerWaalsContact O-N 3.1Å; V365-T368 WeakPolarHBondContact O-CB 3.33Å; V365-T368 PolarHBondContact O-N 3.31Å; V365-S369 PolarHBondContact O-N 3.17Å; V365-K431 HydrophobicContact CG1-CD 4.05Å; V365-K431 WeakPolarHBondContact CG1-O 3.47Å; V365-E434 HydrophobicContact CG1-CB 3.84Å; V365-E434 HydrophobicContact CG1-CG 3.81Å; V365-E434 HydrophobicContact CG2-CG 4.14Å; V365-E434 VanDerWaalsContact CG2-OE1 3.24Å; V365-E434 WeakPolarHBondContact CG2-OE1 3.31Å; V365-F435 HydrophobicContact CG1-CB 3.98Å
366K97.5Very high97.3Very high47 Ų4761.7 Ų61.720%0.20433%0.33CS..Hα-helixtrans-57.9-51.1174.7-177.5-178.4136.8-1450111.8N362 E363 E364 T368 S369 E370 F435N362-K366 VanDerWaalsContact O-CB 3.24Å; N362-K366 WeakPolarHBondContact O-CB 3.45Å; N362-K366 PolarHBondContact O-N 3.12Å; E363-K366 WeakPolarHBondContact OE1-CD 3.21Å; E363-K366 IonicContact OE1-NZ 3.59Å; E363-K366 PolarHBondContact OE1-NZ 2.75Å; E363-K366 IonicContact OE2-NZ 2.81Å; E363-K366 PolarHBondContact OE2-NZ 3.42Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.07Å; K366-T368 VanDerWaalsContact C-N 3.27Å; K366-T368 PolarHBondContact O-N 3.35Å; K366-S369 CarbonylContact O-C 3.34Å; K366-S369 WeakPolarHBondContact O-CA 3.28Å; K366-S369 WeakPolarHBondContact O-CB 3.4Å; K366-S369 PolarHBondContact O-N 3.28Å; K366-E370 WeakPolarHBondContact CE-OE1 3.34Å; K366-E370 HydrophobicContact CG-CG 4.24Å; K366-E370 WeakPolarHBondContact O-CG 3.42Å; K366-E370 PolarHBondContact O-N 3.4Å; K366-F435 HydrophobicContact CB-CD2 3.6Å; K366-F435 HydrophobicContact CB-CE2 3.75Å; K366-F435 HydrophobicContact CB-CG 4.48Å; K366-F435 HydrophobicContact CD-CD2 4.43Å; K366-F435 HydrophobicContact CD-CE2 3.7Å; K366-F435 HydrophobicContact CD-CZ 4.19Å; K366-F435 HydrophobicContact CG-CD2 4.05Å; K366-F435 HydrophobicContact CG-CE2 3.77Å; K366-F435 HydrophobicContact CG-CZ 4.32Å
367K98.1Very high97.3Very high128 Ų12863.5 Ų63.556%0.55733%0.329SS*.Hα-helixtrans-59.4-37.9177.8-73165.5-174172.10112.2E363 E364 A371E363-K367 WeakPolarHBondContact O-CD 3.44Å; E363-K367 VanDerWaalsContact O-CG 3.26Å; E363-K367 WeakPolarHBondContact O-CG 3.49Å; E363-K367 PolarHBondContact O-N 2.92Å; E363-K367 VanDerWaalsContact O-N 3.09Å; E364-K367 PolarHBondContact O-N 2.89Å; K367-A371 VanDerWaalsContact O-CB 3.29Å; K367-A371 WeakPolarHBondContact O-CB 3.29Å; K367-A371 PolarHBondContact O-N 3.43Å
368T97.8Very high97.2Very high53 Ų5365.1 Ų65.133%0.32534%0.335SS..Hα-helixtrans-62.3-44.8172.9-50.50000111.4E364 V365 K366 T372 F427 K431E364-T368 PolarHBondContact O-N 3.47Å; E364-T368 PolarHBondContact O-OG1 3.24Å; V365-T368 WeakPolarHBondContact O-CB 3.33Å; V365-T368 PolarHBondContact O-N 3.31Å; K366-T368 VanDerWaalsContact C-N 3.27Å; K366-T368 PolarHBondContact O-N 3.35Å; T368-T372 WeakPolarHBondContact O-CB 3.47Å; T368-T372 PolarHBondContact O-N 3.01Å; T368-T372 PolarHBondContact O-OG1 3.42Å; T368-F427 HydrophobicContact CG2-CE1 3.69Å; T368-F427 HydrophobicContact CG2-CZ 3.84Å; T368-K431 HydrophobicContact CG2-CD 4.02Å; T368-K431 HydrophobicContact CG2-CG 3.99Å
369S97.7Very high97Very high7 Ų766.6 Ų66.65%0.04934%0.342CS..Hα-helixtrans-66-42.4177.6-174.40000112.4V365 K366 T372 L373 Y428V365-S369 PolarHBondContact O-N 3.17Å; K366-S369 CarbonylContact O-C 3.34Å; K366-S369 WeakPolarHBondContact O-CA 3.28Å; K366-S369 WeakPolarHBondContact O-CB 3.4Å; K366-S369 PolarHBondContact O-N 3.28Å; S369-T372 PolarHBondContact O-N 2.97Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.41Å; S369-Y428 WeakPolarHBondContact O-CD2 3.42Å; S369-Y428 VanDerWaalsContact OG-CE2 3.24Å; S369-Y428 WeakPolarHBondContact OG-CE2 3.46Å
370E97.6Very high96.7Very high99 Ų9966.2 Ų66.246%0.46335%0.347SS..Hα-helixtrans-64.1-46.2176.5-72.2172.5158.900111.7K366 T372 L373 T374K366-E370 WeakPolarHBondContact CE-OE1 3.34Å; K366-E370 HydrophobicContact CG-CG 4.24Å; K366-E370 WeakPolarHBondContact O-CG 3.42Å; K366-E370 PolarHBondContact O-N 3.4Å; E370-T372 PolarHBondContact O-N 2.95Å; E370-L373 WeakPolarHBondContact O-CB 3.32Å; E370-L373 PolarHBondContact O-N 3.02Å; E370-T374 PolarHBondContact O-N 2.84Å; E370-T374 PolarHBondContact O-OG1 2.98Å
371A97.7Very high96.5Very high58 Ų5866.1 Ų66.148%0.47935%0.351SS..Hα-helixtrans-63.4-41.5175.900000112.3K367 L373 T374 T375K367-A371 VanDerWaalsContact O-CB 3.29Å; K367-A371 WeakPolarHBondContact O-CB 3.29Å; K367-A371 PolarHBondContact O-N 3.43Å; A371-L373 VanDerWaalsContact C-N 3.3Å; A371-L373 PolarHBondContact O-N 2.64Å; A371-T374 PolarHBondContact O-N 3.14Å; A371-T375 PolarHBondContact O-N 2.74Å; A371-T375 PolarHBondContact O-OG1 2.89Å
372T97.5Very high96.2Very high14 Ų1465 Ų659%0.08635%0.347CS..Hα-helixtrans-64-37.4175.7-47.90000111.1T368 S369 E370 T375 I376 T424 F427T368-T372 WeakPolarHBondContact O-CB 3.47Å; T368-T372 PolarHBondContact O-N 3.01Å; T368-T372 PolarHBondContact O-OG1 3.42Å; S369-T372 PolarHBondContact O-N 2.97Å; E370-T372 PolarHBondContact O-N 2.95Å; T372-T375 PolarHBondContact O-N 3.47Å; T372-I376 HydrophobicContact CG2-CD1 4.31Å; T372-I376 WeakPolarHBondContact O-CG1 3.48Å; T372-I376 PolarHBondContact O-N 2.75Å; T372-T424 HydrophobicContact CG2-CG2 3.69Å; T372-F427 HydrophobicContact CG2-CD1 3.93Å
373L97.4Very high95.9Very high59 Ų5971.7 Ų71.731%0.30938%0.379SS..Hα-helixtrans-64.1-39.5175.8-178.361.1000112S369 E370 A371 I376 Q377 Y428S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.41Å; E370-L373 WeakPolarHBondContact O-CB 3.32Å; E370-L373 PolarHBondContact O-N 3.02Å; A371-L373 VanDerWaalsContact C-N 3.3Å; A371-L373 PolarHBondContact O-N 2.64Å; L373-I376 PolarHBondContact O-N 3.31Å; L373-Q377 VanDerWaalsContact O-CG 3.3Å; L373-Q377 WeakPolarHBondContact O-CG 3.19Å; L373-Q377 PolarHBondContact O-N 3.35Å; L373-Y428 HydrophobicContact CB-CD2 4.09Å; L373-Y428 HydrophobicContact CB-CE2 3.8Å; L373-Y428 HydrophobicContact CD1-CE2 4.23Å; L373-Y428 HydrophobicContact CD2-CE2 4.44Å; L373-Y428 HydrophobicContact CG-CE2 4.38Å
374T97.6Very high95.3Very high68 Ų6871.6 Ų71.642%0.41738%0.38SS..Hα-helixtrans-61.8-45171.7-58.80000111.1E370 A371 I376 Q377 D378E370-T374 PolarHBondContact O-N 2.84Å; E370-T374 PolarHBondContact O-OG1 2.98Å; A371-T374 PolarHBondContact O-N 3.14Å; T374-I376 VanDerWaalsContact C-N 3.28Å; T374-I376 PolarHBondContact O-N 2.88Å; T374-Q377 WeakPolarHBondContact O-CA 3.41Å; T374-Q377 WeakPolarHBondContact O-CB 3.26Å; T374-Q377 PolarHBondContact O-N 2.95Å; T374-D378 PolarHBondContact O-N 2.84Å
375T96.8Very high94.8Very high62 Ų6274.3 Ų74.338%0.3839%0.387SS..Hα-helixtrans-60-36.1175.1-54.70000112.9A371 T372 M379 T424A371-T375 PolarHBondContact O-N 2.74Å; A371-T375 PolarHBondContact O-OG1 2.89Å; T372-T375 PolarHBondContact O-N 3.47Å; T375-M379 HydrophobicContact CG2-CE 3.86Å; T375-M379 VanDerWaalsContact O-CG 3.29Å; T375-M379 WeakPolarHBondContact O-CG 3.48Å; T375-M379 PolarHBondContact O-N 3Å; T375-T424 HydrophobicContact CG2-CG2 4.23Å
376I96.8Very high94.4Very high20 Ų2079 Ų7910%0.10341%0.411CS..Hα-helixtrans-68.4-40.2173.3-66.6164.1000110.8T372 L373 T374 M379 V380 T424 E425 Y428T372-I376 HydrophobicContact CG2-CD1 4.31Å; T372-I376 WeakPolarHBondContact O-CG1 3.48Å; T372-I376 PolarHBondContact O-N 2.75Å; L373-I376 PolarHBondContact O-N 3.31Å; T374-I376 VanDerWaalsContact C-N 3.28Å; T374-I376 PolarHBondContact O-N 2.88Å; I376-M379 PolarHBondContact O-N 3.16Å; I376-V380 WeakPolarHBondContact O-CG2 3.42Å; I376-V380 PolarHBondContact O-N 3.25Å; I376-V380 VanDerWaalsContact O-N 3.15Å; I376-T424 HydrophobicContact CD1-CG2 4.3Å; I376-T424 HydrophobicContact CG1-CG2 3.72Å; I376-E425 HydrophobicContact CD1-CG 4.1Å; I376-E425 HydrophobicContact CG1-CG 4.39Å; I376-Y428 HydrophobicContact CD1-CD1 4.37Å; I376-Y428 HydrophobicContact CD1-CG 3.92Å
377Q95.6Very high93.9Very high94 Ų9480.7 Ų80.744%0.43943%0.426SS..Hα-helixtrans-59.8-51175-73.2165.5-11.400110.9L373 T374 M379 V380 T381L373-Q377 VanDerWaalsContact O-CG 3.3Å; L373-Q377 WeakPolarHBondContact O-CG 3.19Å; L373-Q377 PolarHBondContact O-N 3.35Å; T374-Q377 WeakPolarHBondContact O-CA 3.41Å; T374-Q377 WeakPolarHBondContact O-CB 3.26Å; T374-Q377 PolarHBondContact O-N 2.95Å; Q377-M379 PolarHBondContact O-N 2.87Å; Q377-M379 VanDerWaalsContact O-N 3.15Å; Q377-V380 PolarHBondContact O-N 2.94Å; Q377-T381 PolarHBondContact O-N 3.25Å; Q377-T381 PolarHBondContact O-OG1 3.21Å; Q377-T381 VanDerWaalsContact O-OG1 3.12Å
378D94.4Very high93.4Very high109 Ų10977.8 Ų77.858%0.58342%0.421SS*.Hα-helixtrans-56.7-31.1176.7-59.1-31.5000112.7T374T374-D378 PolarHBondContact O-N 2.84Å
379M93.3Very high92.7Very high56 Ų5681.2 Ų81.228%0.27643%0.433SS..Hα-helixtrans-76.6-28.9176.1-74.8-179.4-172.300114.2T375 I376 Q377 N420 Q421T375-M379 HydrophobicContact CG2-CE 3.86Å; T375-M379 VanDerWaalsContact O-CG 3.29Å; T375-M379 WeakPolarHBondContact O-CG 3.48Å; T375-M379 PolarHBondContact O-N 3Å; I376-M379 PolarHBondContact O-N 3.16Å; Q377-M379 PolarHBondContact O-N 2.87Å; Q377-M379 VanDerWaalsContact O-N 3.15Å; M379-N420 WeakPolarHBondContact CE-ND2 3.46Å; M379-Q421 HydrophobicContact SD-CB 4.14Å; M379-Q421 HydrophobicContact SD-CG 4.41Å
380V91.3Very high91.9Very high83 Ų8384 Ų8450%0.50345%0.452SS..Hα-helixtrans-103.6-16-175.4-560000114.1I376 Q377 I382I376-V380 WeakPolarHBondContact O-CG2 3.42Å; I376-V380 PolarHBondContact O-N 3.25Å; I376-V380 VanDerWaalsContact O-N 3.15Å; Q377-V380 PolarHBondContact O-N 2.94Å; V380-I382 VanDerWaalsContact C-N 3.3Å
381T92.5Very high91.1Very high104 Ų10486.2 Ų86.264%0.63846%0.461SS*.SBendtrans-95.932.9172.666.30000112.2Q377Q377-T381 PolarHBondContact O-N 3.25Å; Q377-T381 PolarHBondContact O-OG1 3.21Å; Q377-T381 VanDerWaalsContact O-OG1 3.12Å
382I91.2Very high90.3Very high73 Ų7390.4 Ų90.437%0.37447%0.47SS..  trans-80133.6174.2-172.2168000110.2V380 D384 F408V380-I382 VanDerWaalsContact C-N 3.3Å; I382-D384 PolarHBondContact O-N 2.94Å; I382-F408 HydrophobicContact CD1-CE1 3.83Å; I382-F408 HydrophobicContact CD1-CZ 3.68Å
383E89.8Confident89Confident156 Ų15696 Ų9673%0.72950%0.495SS*.  trans-80.756.1-178.5-61.1174.9164.500111.5Y385E383-Y385 VanDerWaalsContact C-N 3.33Å; E383-Y385 HydrophobicContact CB-CE1 3.94Å; E383-Y385 HydrophobicContact CG-CE1 4.08Å; E383-Y385 PolarHBondContact O-N 3Å
384D86Confident87Confident76 Ų7697.9 Ų97.941%0.40651%0.513SS..THydrogen-bonded Turntrans-93.127.5179.575.3-4.5000114.9I382 F408 R417I382-D384 PolarHBondContact O-N 2.94Å; D384-F408 HydrophobicContact CB-CE1 4.34Å; D384-R417 IonicContact OD2-CZ 2.85Å; D384-R417 IonicContact OD2-NH1 2.7Å; D384-R417 PolarHBondContact OD2-NH1 2.92Å; D384-R417 IonicContact OD2-NH2 2.64Å
385Y86.4Confident84.9Confident175 Ų175106.9 Ų106.969%0.68654%0.539SS*.THydrogen-bonded Turntrans-101.2-10.617956.4-101.6000115.8E383 V387E383-Y385 VanDerWaalsContact C-N 3.33Å; E383-Y385 HydrophobicContact CB-CE1 3.94Å; E383-Y385 HydrophobicContact CG-CE1 4.08Å; E383-Y385 PolarHBondContact O-N 3Å; Y385-V387 PolarHBondContact O-N 3.03Å
386D88.8Confident82.6Confident118 Ų118107.4 Ų107.463%0.63155%0.545SS*.  trans-70.5124171.5-175.66.5000110.2S388D386-S388 VanDerWaalsContact OD1-CB 3.24Å; D386-S388 WeakPolarHBondContact OD1-CB 3.38Å; D386-S388 PolarHBondContact OD1-N 2.91Å; D386-S388 PolarHBondContact OD1-OG 3.15Å
387V87.6Confident80.3Confident83 Ų83113.7 Ų113.750%0.50359%0.585SS.*  trans-117.915.1-178.6-66.10000112.6Y385 E389 C390 F391Y385-V387 PolarHBondContact O-N 3.03Å; V387-E389 PolarHBondContact O-N 3.24Å; V387-E389 VanDerWaalsContact O-N 3.16Å; V387-C390 WeakPolarHBondContact O-CB 3.37Å; V387-C390 PolarHBondContact O-N 3.3Å; V387-F391 HydrophobicContact CG2-CE2 4.21Å
388S87.3Confident77.9Confident66 Ų66117.1 Ų117.146%0.46260%0.601SS.*G310 helixtrans-53.1-37.8-177.5-63.10000113.4D386 C390 F391D386-S388 VanDerWaalsContact OD1-CB 3.24Å; D386-S388 WeakPolarHBondContact OD1-CB 3.38Å; D386-S388 PolarHBondContact OD1-N 2.91Å; D386-S388 PolarHBondContact OD1-OG 3.15Å; S388-C390 PolarHBondContact O-N 3.3Å; S388-F391 PolarHBondContact O-N 2.94Å
389E83.4Confident75.6Confident125 Ų125116.1 Ų116.158%0.58460%0.602SS**G310 helixtrans-58.7-29.2175.6-65.7-165.3157.500113.4V387 F391 H392V387-E389 PolarHBondContact O-N 3.24Å; V387-E389 VanDerWaalsContact O-N 3.16Å; E389-F391 PolarHBondContact O-N 3.18Å; E389-H392 PolarHBondContact O-N 3.21Å
390C80.4Confident73.4Confident66 Ų66120 Ų12045%0.44663%0.628SS.*G310 helixtrans-65.8-18.3178.1-61.90000113V387 S388V387-C390 WeakPolarHBondContact O-CB 3.37Å; V387-C390 PolarHBondContact O-N 3.3Å; S388-C390 PolarHBondContact O-N 3.3Å
391F81Confident71.4Confident145 Ų145124.4 Ų124.464%0.63664%0.641SS**G310 helixtrans-100.1-3.1179.9-62.4-87.6000113.1V387 S388 E389 H393V387-F391 HydrophobicContact CG2-CE2 4.21Å; S388-F391 PolarHBondContact O-N 2.94Å; E389-F391 PolarHBondContact O-N 3.18Å; F391-H393 VanDerWaalsContact C-N 3.3Å; F391-H393 PolarHBondContact O-N 2.59Å; F391-H393 PolarHBondContact O-ND1 3.12Å
392H81.5Confident69.4Low146 Ų146123.3 Ų123.368%0.67664%0.638SS**  trans-74.977.8174.3-74.3-27.9000112.4E389 S394E389-H392 PolarHBondContact O-N 3.21Å; H392-S394 PolarHBondContact O-N 3.24Å; H392-S394 VanDerWaalsContact O-N 3.14Å
393H70.4Confident67.2Low133 Ų133125.3 Ų125.362%0.61665%0.654SS**  trans-73.999.3173.8-65.177.1000110.7F391 R395F391-H393 VanDerWaalsContact C-N 3.3Å; F391-H393 PolarHBondContact O-N 2.59Å; F391-H393 PolarHBondContact O-ND1 3.12Å; H393-R395 PolarHBondContact O-N 3.17Å
394S55.1Low65.2Low97 Ų97120.5 Ų120.568%0.67864%0.635SS**  trans-51.8136.8167.1-740000110.9H392 S396H392-S394 PolarHBondContact O-N 3.24Å; H392-S394 VanDerWaalsContact O-N 3.14Å; S394-S396 PolarHBondContact O-N 3.16Å
395R52.8Low63.4Low258 Ų258120.5 Ų120.597%0.97464%0.64SS**SBendtrans-68.915-179-68.8-174.3175.4-178.3-0.2115.1H393H393-R395 PolarHBondContact O-N 3.17Å
396S49.8Very low61.5Low73 Ų73120.6 Ų120.651%0.5165%0.647SS.*  trans-86.9140.7171.5-172.90000109.9S394 E398S394-S396 PolarHBondContact O-N 3.16Å; S396-E398 PolarHBondContact O-N 3.21Å; S396-E398 PolarHBondContact OG-N 3.43Å
397T47.5Very low59.8Low151 Ų151119.3 Ų119.393%0.92664%0.644SS**  trans-81.93.4176.347.60000113.6S399T397-S399 PolarHBondContact O-N 2.95Å
398E44.4Very low58.2Low167 Ų167120.4 Ų120.478%0.7864%0.642SS**SBendtrans-80.4116.1172.2-73.5-169.3116.900112.2S396S396-E398 PolarHBondContact O-N 3.21Å; S396-E398 PolarHBondContact OG-N 3.43Å
399S46.2Very low56.7Low87 Ų87121.8 Ų121.861%0.60864%0.644SS**  trans46.3101.6150.7-179.60000117.4T397 K401T397-S399 PolarHBondContact O-N 2.95Å; S399-K401 PolarHBondContact O-N 2.91Å
400V48.1Very low55.7Low137 Ų137117.8 Ų117.883%0.8363%0.63SS**SBendtrans-70.443.5168.2-159.90000112.4
401K49Very low54.8Low176 Ų176123.6 Ų123.677%0.76565%0.647SS**  trans-128.2123.5173.6-69.1-175.9177.5178.40109.5S399S399-K401 PolarHBondContact O-N 2.91Å
402S50.5Low53.8Low82 Ų82121.5 Ų121.557%0.57365%0.648SS**SBendtrans77.471.7161.3-165.10000118.3S405S402-S405 WeakPolarHBondContact OG-CB 3.36Å
403T45.3Very low53.5Low115 Ų115116.4 Ų116.471%0.70663%0.629SS**SBendtrans-112.3-46.6142.5240000111.4S405T403-S405 PolarHBondContact O-N 3.09Å
404V48Very low53.9Low54 Ų54113.6 Ų113.633%0.32762%0.618SS.*THydrogen-bonded Turntrans-61.8-2.6177.6-165.90000114
405S47.4Very low55.3Low76 Ų76111.9 Ų111.953%0.53161%0.61SS.*THydrogen-bonded Turntrans-83.3-13.1-174.6-60.60000115.2S402 T403S402-S405 WeakPolarHBondContact OG-CB 3.36Å; T403-S405 PolarHBondContact O-N 3.09Å
406E46.8Very low57Low177 Ų177107.7 Ų107.783%0.82760%0.599SS**SBendtrans-98.2-20.4-173.4-59.1-159.2133.800114.3
407T54.2Low58.7Low91 Ų91108.1 Ų108.156%0.55859%0.589SS**SBendtrans-105.9123.3-171.8-26.40000112.5L409T407-L409 PolarHBondContact O-N 3.33Å
408F52.2Low60.8Low106 Ų106108.6 Ų108.647%0.46557%0.574SS.*SBendtrans58.2-42.6166.7-149.1-120.1000119.4I382 D384 S410 S413 R417I382-F408 HydrophobicContact CD1-CE1 3.83Å; I382-F408 HydrophobicContact CD1-CZ 3.68Å; D384-F408 HydrophobicContact CB-CE1 4.34Å; F408-S410 PolarHBondContact O-N 2.85Å; F408-S413 PolarHBondContact O-OG 3.29Å; F408-R417 VanDerWaalsContact CD1-NH2 3.28Å; F408-R417 PolarHBondContact O-NH2 2.97Å
409L55.7Low63.1Low96 Ų96103.1 Ų103.150%0.50356%0.557SS.*  trans-89.110.3-173.5-60.3174.3000114.1T407 K411 I414T407-L409 PolarHBondContact O-N 3.33Å; L409-K411 PolarHBondContact O-N 3.05Å; L409-I414 WeakPolarHBondContact O-CD1 3.25Å
410S63.3Low65.4Low41 Ų41103 Ų10329%0.28755%0.55SS..  trans-60.4138.7176.886.80000110.8F408 P412 S413 I414F408-S410 PolarHBondContact O-N 2.85Å; S410-P412 VanDerWaalsContact C-CD 3.47Å; S410-P412 VanDerWaalsContact C-N 3.3Å; S410-S413 PolarHBondContact N-OG 3Å; S410-S413 PolarHBondContact O-N 2.94Å; S410-S413 PolarHBondContact O-OG 3.31Å; S410-S413 WeakPolarHBondContact OG-CB 3.46Å; S410-S413 PolarHBondContact OG-N 3.29Å; S410-S413 PolarHBondContact OG-OG 2.86Å; S410-I414 WeakPolarHBondContact O-CG1 3.29Å; S410-I414 PolarHBondContact O-N 3.12Å
411K61.4Low67.6Low187 Ų18799.1 Ų99.181%0.81352%0.523SS*.Hα-helixtrans-54.2-38.6-179.6-67-176.5177.9-178.20113.5L409 A415L409-K411 PolarHBondContact O-N 3.05Å; K411-A415 WeakPolarHBondContact O-CB 3.23Å; K411-A415 PolarHBondContact O-N 3.27Å; K411-A415 VanDerWaalsContact O-N 3.12Å
412P59.9Low69.8Low102 Ų10295.4 Ų95.466%0.66251%0.508SS*.Hα-helixtrans-66.6-39.1173.4-22.835.4000114.5S410 K416S410-P412 VanDerWaalsContact C-CD 3.47Å; S410-P412 VanDerWaalsContact C-N 3.3Å; P412-K416 PolarHBondContact O-N 2.89Å; P412-K416 VanDerWaalsContact O-N 3.14Å
413S74.8Confident72.1Confident39 Ų3998 Ų9827%0.27351%0.511SS..Hα-helixtrans-69.8-39.5178.3550000111.9F408 S410 K416 R417F408-S413 PolarHBondContact O-OG 3.29Å; S410-S413 PolarHBondContact N-OG 3Å; S410-S413 PolarHBondContact O-N 2.94Å; S410-S413 PolarHBondContact O-OG 3.31Å; S410-S413 WeakPolarHBondContact OG-CB 3.46Å; S410-S413 PolarHBondContact OG-N 3.29Å; S410-S413 PolarHBondContact OG-OG 2.86Å; S413-K416 PolarHBondContact O-N 2.61Å; S413-R417 PolarHBondContact O-N 3.14Å
414I79.9Confident74.5Confident73 Ų7393.5 Ų93.537%0.37448%0.484SS..Hα-helixtrans-61-47.9174.1-66.3172.7000110.9L409 S410 K416 R417 R418L409-I414 WeakPolarHBondContact O-CD1 3.25Å; S410-I414 WeakPolarHBondContact O-CG1 3.29Å; S410-I414 PolarHBondContact O-N 3.12Å; I414-K416 VanDerWaalsContact C-N 3.31Å; I414-K416 PolarHBondContact O-N 3.12Å; I414-R417 PolarHBondContact O-N 2.79Å; I414-R418 PolarHBondContact O-N 3.39Å
415A84.7Confident76.9Confident62 Ų6293.7 Ų93.751%0.51248%0.481SS..Hα-helixtrans-59.9-40.6179.200000112.2K411 A419K411-A415 WeakPolarHBondContact O-CB 3.23Å; K411-A415 PolarHBondContact O-N 3.27Å; K411-A415 VanDerWaalsContact O-N 3.12Å; A415-A419 PolarHBondContact O-N 2.91Å
416K88.8Confident79.3Confident170 Ų17097.1 Ų97.174%0.73949%0.488SS*.Hα-helixtrans-68.2-41.6175.9-170.1-179.9178.2-174.40112.6P412 S413 I414 A419 N420P412-K416 PolarHBondContact O-N 2.89Å; P412-K416 VanDerWaalsContact O-N 3.14Å; S413-K416 PolarHBondContact O-N 2.61Å; I414-K416 VanDerWaalsContact C-N 3.31Å; I414-K416 PolarHBondContact O-N 3.12Å; K416-A419 PolarHBondContact O-N 3.36Å; K416-N420 PolarHBondContact O-N 3.38Å
417R85.5Confident81.7Confident82 Ų8292.8 Ų92.831%0.30947%0.467SS..Hα-helixtrans-57.3-50.2173.6-79.2-162.1-82.8153-10.6110.7D384 F408 S413 I414 A419 N420 Q421D384-R417 IonicContact OD2-CZ 2.85Å; D384-R417 IonicContact OD2-NH1 2.7Å; D384-R417 PolarHBondContact OD2-NH1 2.92Å; D384-R417 IonicContact OD2-NH2 2.64Å; F408-R417 VanDerWaalsContact CD1-NH2 3.28Å; F408-R417 PolarHBondContact O-NH2 2.97Å; S413-R417 PolarHBondContact O-N 3.14Å; I414-R417 PolarHBondContact O-N 2.79Å; R417-A419 PolarHBondContact O-N 3.06Å; R417-N420 PolarHBondContact O-N 3.42Å; R417-Q421 PolarHBondContact O-N 2.99Å
418R90Very high83.9Confident160 Ų16090.1 Ų90.160%0.60445%0.447SS*.Hα-helixtrans-62.8-39.5-179-169.3176.8-174.3175.44.8113.3I414 Q421 Q422I414-R418 PolarHBondContact O-N 3.39Å; R418-Q421 PolarHBondContact O-N 3.38Å; R418-Q422 VanDerWaalsContact O-CG 3.32Å; R418-Q422 WeakPolarHBondContact O-CG 3.46Å; R418-Q422 PolarHBondContact O-N 2.88Å
419A93.1Very high86Confident52 Ų5291.3 Ų91.343%0.4345%0.452SS..Hα-helixtrans-63.4-44.2176.400000112.1A415 K416 R417 Q422 E423A415-A419 PolarHBondContact O-N 2.91Å; K416-A419 PolarHBondContact O-N 3.36Å; R417-A419 PolarHBondContact O-N 3.06Å; A419-Q422 PolarHBondContact O-N 3.46Å; A419-E423 PolarHBondContact O-N 3.07Å
420N94.5Very high88Confident85 Ų8591.6 Ų91.646%0.45545%0.452SS..Hα-helixtrans-63-41.3176.4-175.249.9000112.3M379 K416 R417 E423 T424M379-N420 WeakPolarHBondContact CE-ND2 3.46Å; K416-N420 PolarHBondContact O-N 3.38Å; R417-N420 PolarHBondContact O-N 3.42Å; N420-E423 PolarHBondContact O-N 3.04Å; N420-T424 WeakPolarHBondContact O-CB 3.47Å; N420-T424 PolarHBondContact O-N 2.94Å; N420-T424 PolarHBondContact O-OG1 3.24Å
421Q94.5Very high89.7Confident56 Ų5691.6 Ų91.626%0.26245%0.447SS..Hα-helixtrans-59.3-49.1173-178.3-172.5-12.300111.1M379 R417 R418 E423 T424 E425M379-Q421 HydrophobicContact SD-CB 4.14Å; M379-Q421 HydrophobicContact SD-CG 4.41Å; R417-Q421 PolarHBondContact O-N 2.99Å; R418-Q421 PolarHBondContact O-N 3.38Å; Q421-E423 PolarHBondContact O-N 3.22Å; Q421-T424 WeakPolarHBondContact O-CB 3.44Å; Q421-T424 PolarHBondContact O-N 3.45Å; Q421-T424 VanDerWaalsContact O-N 3.14Å; Q421-E425 HydrophobicContact CG-CG 4.38Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.44Å; Q421-E425 PolarHBondContact NE2-OE1 3.2Å; Q421-E425 WeakPolarHBondContact O-CB 3.37Å; Q421-E425 WeakPolarHBondContact O-CG 3.46Å; Q421-E425 PolarHBondContact O-N 3.28Å
422Q96.1Very high91.4Very high98 Ų9886.1 Ų86.146%0.45842%0.423SS..Hα-helixtrans-63.5-37.5-179.6-73.5177.5-3500113R418 A419 Q426R418-Q422 VanDerWaalsContact O-CG 3.32Å; R418-Q422 WeakPolarHBondContact O-CG 3.46Å; R418-Q422 PolarHBondContact O-N 2.88Å; A419-Q422 PolarHBondContact O-N 3.46Å; Q422-Q426 VanDerWaalsContact O-CB 3.3Å; Q422-Q426 WeakPolarHBondContact O-CB 3.16Å; Q422-Q426 PolarHBondContact O-N 3.44Å
423E97.4Very high93.2Very high136 Ų13689.1 Ų89.164%0.63642%0.421SS*.Hα-helixtrans-65.1-40.7173.2-173.7170.1-17100111.5A419 N420 Q421 Q426 F427A419-E423 PolarHBondContact O-N 3.07Å; N420-E423 PolarHBondContact O-N 3.04Å; Q421-E423 PolarHBondContact O-N 3.22Å; E423-Q426 PolarHBondContact O-N 3.47Å; E423-F427 WeakPolarHBondContact O-CB 3.3Å; E423-F427 PolarHBondContact O-N 2.68Å
424T97.1Very high94.3Very high21 Ų2191 Ų9113%0.12943%0.426CS..Hα-helixtrans-66.8-43.1176.4-52.80000111.8T372 T375 I376 N420 Q421 F427 Y428T372-T424 HydrophobicContact CG2-CG2 3.69Å; T375-T424 HydrophobicContact CG2-CG2 4.23Å; I376-T424 HydrophobicContact CD1-CG2 4.3Å; I376-T424 HydrophobicContact CG1-CG2 3.72Å; N420-T424 WeakPolarHBondContact O-CB 3.47Å; N420-T424 PolarHBondContact O-N 2.94Å; N420-T424 PolarHBondContact O-OG1 3.24Å; Q421-T424 WeakPolarHBondContact O-CB 3.44Å; Q421-T424 PolarHBondContact O-N 3.45Å; Q421-T424 VanDerWaalsContact O-N 3.14Å; T424-F427 PolarHBondContact O-N 3.07Å; T424-Y428 WeakPolarHBondContact O-CB 3.45Å; T424-Y428 PolarHBondContact O-N 3.06Å
425E97.7Very high95.2Very high57 Ų5789.5 Ų89.527%0.26642%0.417SS..Hα-helixtrans-61.2-43.9173.1-73.6169.117700111.6I376 Q421 F427 Y428 F429I376-E425 HydrophobicContact CD1-CG 4.1Å; I376-E425 HydrophobicContact CG1-CG 4.39Å; Q421-E425 HydrophobicContact CG-CG 4.38Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.44Å; Q421-E425 PolarHBondContact NE2-OE1 3.2Å; Q421-E425 WeakPolarHBondContact O-CB 3.37Å; Q421-E425 WeakPolarHBondContact O-CG 3.46Å; Q421-E425 PolarHBondContact O-N 3.28Å; E425-F427 PolarHBondContact O-N 3.38Å; E425-Y428 WeakPolarHBondContact O-CB 3.5Å; E425-Y428 PolarHBondContact O-N 3.41Å; E425-F429 VanDerWaalsContact O-CD2 3.23Å; E425-F429 WeakPolarHBondContact O-CD2 3.49Å; E425-F429 PolarHBondContact O-N 3.05Å
426Q97.6Very high95.8Very high149 Ų14989.9 Ų89.970%0.69641%0.41SS*.Hα-helixtrans-63.5-41.2176.9-173.7174.85.400111.7Q422 E423 F429 M430Q422-Q426 VanDerWaalsContact O-CB 3.3Å; Q422-Q426 WeakPolarHBondContact O-CB 3.16Å; Q422-Q426 PolarHBondContact O-N 3.44Å; E423-Q426 PolarHBondContact O-N 3.47Å; Q426-F429 PolarHBondContact O-N 2.94Å; Q426-M430 WeakPolarHBondContact O-CB 3.47Å; Q426-M430 PolarHBondContact O-N 2.98Å
427F98.3Very high96.1Very high86 Ų8687.6 Ų87.638%0.37740%0.402SS..Hα-helixtrans-64.7-42.1173.9-175.7-102.5000112T368 T372 E423 T424 E425 M430 K431T368-F427 HydrophobicContact CG2-CE1 3.69Å; T368-F427 HydrophobicContact CG2-CZ 3.84Å; T372-F427 HydrophobicContact CG2-CD1 3.93Å; E423-F427 WeakPolarHBondContact O-CB 3.3Å; E423-F427 PolarHBondContact O-N 2.68Å; T424-F427 PolarHBondContact O-N 3.07Å; E425-F427 PolarHBondContact O-N 3.38Å; F427-M430 HydrophobicContact CD2-CE 3.51Å; F427-M430 HydrophobicContact CE2-CE 3.81Å; F427-M430 PolarHBondContact O-N 2.91Å; F427-K431 HydrophobicContact CE1-CG 4.14Å; F427-K431 HydrophobicContact CE2-CG 4.36Å; F427-K431 HydrophobicContact CZ-CG 4.01Å; F427-K431 PolarHBondContact O-N 3.04Å
428Y98.4Very high96.6Very high35 Ų3584.5 Ų84.514%0.13740%0.396CS..Hα-helixtrans-57.8-51.8173.5169.7-101.5000111.8S369 L373 I376 T424 E425 M430 K431 F432S369-Y428 WeakPolarHBondContact O-CD2 3.42Å; S369-Y428 VanDerWaalsContact OG-CE2 3.24Å; S369-Y428 WeakPolarHBondContact OG-CE2 3.46Å; L373-Y428 HydrophobicContact CB-CD2 4.09Å; L373-Y428 HydrophobicContact CB-CE2 3.8Å; L373-Y428 HydrophobicContact CD1-CE2 4.23Å; L373-Y428 HydrophobicContact CD2-CE2 4.44Å; L373-Y428 HydrophobicContact CG-CE2 4.38Å; I376-Y428 HydrophobicContact CD1-CD1 4.37Å; I376-Y428 HydrophobicContact CD1-CG 3.92Å; T424-Y428 WeakPolarHBondContact O-CB 3.45Å; T424-Y428 PolarHBondContact O-N 3.06Å; E425-Y428 WeakPolarHBondContact O-CB 3.5Å; E425-Y428 PolarHBondContact O-N 3.41Å; Y428-M430 VanDerWaalsContact C-N 3.3Å; Y428-M430 PolarHBondContact O-N 3.47Å; Y428-K431 PolarHBondContact O-N 2.73Å; Y428-F432 HydrophobicContact CE1-CB 4.41Å; Y428-F432 HydrophobicContact CE2-CB 4.42Å; Y428-F432 VanDerWaalsContact O-CB 3.26Å; Y428-F432 WeakPolarHBondContact O-CB 3.49Å; Y428-F432 PolarHBondContact O-N 2.9Å
429F97.9Very high97Very high130 Ų13078.7 Ų78.757%0.5738%0.38SS*.Hα-helixtrans-65.1-32.5-179.6-81-65.7000113E425 Q426 R433E425-F429 VanDerWaalsContact O-CD2 3.23Å; E425-F429 WeakPolarHBondContact O-CD2 3.49Å; E425-F429 PolarHBondContact O-N 3.05Å; Q426-F429 PolarHBondContact O-N 2.94Å; F429-R433 WeakPolarHBondContact O-CB 3.31Å; F429-R433 PolarHBondContact O-N 3Å
430M97.9Very high97.2Very high102 Ų10280.2 Ų80.250%0.50238%0.38SS..Hα-helixtrans-62.6-50.9171.5-178.7175.564.300111.2Q426 F427 Y428 R433 E434Q426-M430 WeakPolarHBondContact O-CB 3.47Å; Q426-M430 PolarHBondContact O-N 2.98Å; F427-M430 HydrophobicContact CD2-CE 3.51Å; F427-M430 HydrophobicContact CE2-CE 3.81Å; F427-M430 PolarHBondContact O-N 2.91Å; Y428-M430 VanDerWaalsContact C-N 3.3Å; Y428-M430 PolarHBondContact O-N 3.47Å; M430-R433 PolarHBondContact O-N 3.33Å; M430-E434 PolarHBondContact O-N 2.9Å; M430-E434 VanDerWaalsContact O-N 3.13Å
431K97.9Very high97.3Very high41 Ų4179 Ų7918%0.17837%0.373CS..Hα-helixtrans-70.2-33.1-180-75.1-74.5162-161.60113.2V365 T368 F427 Y428 E434 F435V365-K431 HydrophobicContact CG1-CD 4.05Å; V365-K431 WeakPolarHBondContact CG1-O 3.47Å; T368-K431 HydrophobicContact CG2-CD 4.02Å; T368-K431 HydrophobicContact CG2-CG 3.99Å; F427-K431 HydrophobicContact CE1-CG 4.14Å; F427-K431 HydrophobicContact CE2-CG 4.36Å; F427-K431 HydrophobicContact CZ-CG 4.01Å; F427-K431 PolarHBondContact O-N 3.04Å; Y428-K431 PolarHBondContact O-N 2.73Å; K431-E434 WeakPolarHBondContact CD-OE2 3.36Å; K431-E434 VanDerWaalsContact CE-OE2 3.28Å; K431-E434 WeakPolarHBondContact CE-OE2 3.45Å; K431-E434 IonicContact NZ-OE1 2.66Å; K431-E434 PolarHBondContact NZ-OE1 2.9Å; K431-E434 IonicContact NZ-OE2 3.94Å; K431-E434 PolarHBondContact NZ-OE2 3.13Å; K431-E434 PolarHBondContact O-N 2.79Å; K431-F435 WeakPolarHBondContact O-CB 3.38Å; K431-F435 PolarHBondContact O-N 2.95Å
432F97.8Very high97.4Very high72 Ų7277.3 Ų77.332%0.31637%0.366SS..Hα-helixtrans-67.4-39.3174.8-175-115.9000111.8Y428 F435 L436Y428-F432 HydrophobicContact CE1-CB 4.41Å; Y428-F432 HydrophobicContact CE2-CB 4.42Å; Y428-F432 VanDerWaalsContact O-CB 3.26Å; Y428-F432 WeakPolarHBondContact O-CB 3.49Å; Y428-F432 PolarHBondContact O-N 2.9Å; F432-F435 HydrophobicContact CD2-CD1 4.29Å; F432-F435 HydrophobicContact CE2-CD1 4.36Å; F432-F435 PolarHBondContact O-N 3.15Å; F432-L436 HydrophobicContact CD1-CD1 3.99Å; F432-L436 HydrophobicContact CE1-CD1 3.56Å; F432-L436 HydrophobicContact CE1-CG 4.25Å; F432-L436 HydrophobicContact CE2-CG 4.38Å; F432-L436 HydrophobicContact CZ-CD1 3.86Å; F432-L436 HydrophobicContact CZ-CD2 4.3Å; F432-L436 HydrophobicContact CZ-CG 4.16Å; F432-L436 WeakPolarHBondContact O-CG 3.25Å; F432-L436 PolarHBondContact O-N 2.99Å
433R97.8Very high97.5Very high165 Ų16576 Ų7662%0.62337%0.368SS*.Hα-helixtrans-60.2-49.7171.3178.2-171.4-61.5-94.2-0.3111.6F429 M430 F435 L436 E437F429-R433 WeakPolarHBondContact O-CB 3.31Å; F429-R433 PolarHBondContact O-N 3Å; M430-R433 PolarHBondContact O-N 3.33Å; R433-F435 VanDerWaalsContact C-N 3.33Å; R433-F435 PolarHBondContact O-N 2.92Å; R433-L436 PolarHBondContact O-N 3.39Å; R433-L436 VanDerWaalsContact O-N 3.11Å; R433-E437 WeakPolarHBondContact CG-OE1 3.42Å; R433-E437 WeakPolarHBondContact O-CG 3.48Å; R433-E437 PolarHBondContact O-N 3.2Å
434E97.3Very high97.4Very high79 Ų7975.8 Ų75.837%0.36937%0.365SS..Hα-helixtrans-57.2-44.7178.4-171.2-177.915800111.5V365 M430 K431 E437 G438V365-E434 HydrophobicContact CG1-CB 3.84Å; V365-E434 HydrophobicContact CG1-CG 3.81Å; V365-E434 HydrophobicContact CG2-CG 4.14Å; V365-E434 VanDerWaalsContact CG2-OE1 3.24Å; V365-E434 WeakPolarHBondContact CG2-OE1 3.31Å; M430-E434 PolarHBondContact O-N 2.9Å; M430-E434 VanDerWaalsContact O-N 3.13Å; K431-E434 WeakPolarHBondContact CD-OE2 3.36Å; K431-E434 VanDerWaalsContact CE-OE2 3.28Å; K431-E434 WeakPolarHBondContact CE-OE2 3.45Å; K431-E434 IonicContact NZ-OE1 2.66Å; K431-E434 PolarHBondContact NZ-OE1 2.9Å; K431-E434 IonicContact NZ-OE2 3.94Å; K431-E434 PolarHBondContact NZ-OE2 3.13Å; K431-E434 PolarHBondContact O-N 2.79Å; E434-E437 PolarHBondContact O-N 2.9Å; E434-G438 PolarHBondContact O-N 3.21Å
435F97.9Very high97.4Very high42 Ų4276 Ų7618%0.18437%0.365CS..Hα-helixtrans-61.5-43.5172.3166.8-103.5000113.1N362 V365 K366 K431 F432 R433 S439N362-F435 WeakPolarHBondContact ND2-CD2 3.13Å; N362-F435 VanDerWaalsContact ND2-CE2 3.26Å; N362-F435 WeakPolarHBondContact ND2-CE2 3.38Å; N362-F435 PolarHBondContact OD1-O 3.18Å; N362-F435 VanDerWaalsContact OD1-O 3.04Å; V365-F435 HydrophobicContact CG1-CB 3.98Å; K366-F435 HydrophobicContact CB-CD2 3.6Å; K366-F435 HydrophobicContact CB-CE2 3.75Å; K366-F435 HydrophobicContact CB-CG 4.48Å; K366-F435 HydrophobicContact CD-CD2 4.43Å; K366-F435 HydrophobicContact CD-CE2 3.7Å; K366-F435 HydrophobicContact CD-CZ 4.19Å; K366-F435 HydrophobicContact CG-CD2 4.05Å; K366-F435 HydrophobicContact CG-CE2 3.77Å; K366-F435 HydrophobicContact CG-CZ 4.32Å; K431-F435 WeakPolarHBondContact O-CB 3.38Å; K431-F435 PolarHBondContact O-N 2.95Å; F432-F435 HydrophobicContact CD2-CD1 4.29Å; F432-F435 HydrophobicContact CE2-CD1 4.36Å; F432-F435 PolarHBondContact O-N 3.15Å; R433-F435 VanDerWaalsContact C-N 3.33Å; R433-F435 PolarHBondContact O-N 2.92Å; F435-S439 WeakPolarHBondContact O-CB 3.26Å; F435-S439 PolarHBondContact O-N 3.39Å
436L97.4Very high97.4Very high70 Ų7075.2 Ų75.237%0.36636%0.361SS..Hα-helixtrans-66.3-38.9177.9-75178.6000111.7F432 R433 N440F432-L436 HydrophobicContact CD1-CD1 3.99Å; F432-L436 HydrophobicContact CE1-CD1 3.56Å; F432-L436 HydrophobicContact CE1-CG 4.25Å; F432-L436 HydrophobicContact CE2-CG 4.38Å; F432-L436 HydrophobicContact CZ-CD1 3.86Å; F432-L436 HydrophobicContact CZ-CD2 4.3Å; F432-L436 HydrophobicContact CZ-CG 4.16Å; F432-L436 WeakPolarHBondContact O-CG 3.25Å; F432-L436 PolarHBondContact O-N 2.99Å; R433-L436 PolarHBondContact O-N 3.39Å; R433-L436 VanDerWaalsContact O-N 3.11Å; L436-N440 WeakPolarHBondContact O-CB 3.42Å; L436-N440 PolarHBondContact O-N 3.03Å; L436-N440 PolarHBondContact O-ND2 2.93Å
437E96.3Very high97.3Very high121 Ų12171.3 Ų71.357%0.56535%0.354SS*.Hα-helixtrans-68.2-44.3178.4-72.3176.9-16100111.6R433 E434 N440 L441R433-E437 WeakPolarHBondContact CG-OE1 3.42Å; R433-E437 WeakPolarHBondContact O-CG 3.48Å; R433-E437 PolarHBondContact O-N 3.2Å; E434-E437 PolarHBondContact O-N 2.9Å; E437-N440 PolarHBondContact O-N 3.37Å; E437-L441 PolarHBondContact O-N 3.18Å
438G96.4Very high97.1Very high18 Ų1873.7 Ų73.719%0.18637%0.365CS..Hα-helixtrans-63.1-48.2173.400000112.8N362 E434 N440 L441 I442N362-G438 VanDerWaalsContact OD1-CA 3.25Å; N362-G438 WeakPolarHBondContact OD1-CA 3.43Å; E434-G438 PolarHBondContact O-N 3.21Å; G438-N440 VanDerWaalsContact C-N 3.34Å; G438-N440 PolarHBondContact O-N 2.97Å; G438-L441 WeakPolarHBondContact O-CB 3.47Å; G438-L441 PolarHBondContact O-N 3.49Å; G438-L441 VanDerWaalsContact O-N 3.07Å; G438-I442 WeakPolarHBondContact O-CG1 3.49Å; G438-I442 PolarHBondContact O-N 3.04Å
439S97.8Very high97Very high38 Ų3872.8 Ų72.827%0.26636%0.362SS..Hα-helixtrans-58.2-44.4176-176.50000111.7N362 F435 L441 I442 S443N362-S439 PolarHBondContact OD1-N 3.41Å; F435-S439 WeakPolarHBondContact O-CB 3.26Å; F435-S439 PolarHBondContact O-N 3.39Å; S439-L441 VanDerWaalsContact C-N 3.33Å; S439-L441 PolarHBondContact O-N 3.43Å; S439-I442 PolarHBondContact O-N 2.75Å; S439-S443 PolarHBondContact O-N 3.19Å; S439-S443 PolarHBondContact O-OG 3.06Å; S439-S443 VanDerWaalsContact O-OG 3.07Å
440N96.4Very high96.8Very high83 Ų8369.2 Ų69.244%0.44435%0.349SS..Hα-helixtrans-60.1-38.7174-90.4-68.7000113L436 E437 G438 K444L436-N440 WeakPolarHBondContact O-CB 3.42Å; L436-N440 PolarHBondContact O-N 3.03Å; L436-N440 PolarHBondContact O-ND2 2.93Å; E437-N440 PolarHBondContact O-N 3.37Å; G438-N440 VanDerWaalsContact C-N 3.34Å; G438-N440 PolarHBondContact O-N 2.97Å; N440-K444 VanDerWaalsContact O-CD 3.24Å; N440-K444 WeakPolarHBondContact O-CD 3.44Å; N440-K444 WeakPolarHBondContact O-CG 3.42Å; N440-K444 PolarHBondContact O-N 3.42Å
441L96.4Very high96.6Very high59 Ų5967.9 Ų67.931%0.30934%0.343SS..Hα-helixtrans-69.3-44.7175.4-179.559.7000111.3L358 E437 G438 S439 S443 K444 L445L358-L441 HydrophobicContact CD1-CD2 3.78Å; L358-L441 HydrophobicContact CD1-CG 4.01Å; L358-L441 HydrophobicContact CD2-CD2 4.02Å; E437-L441 PolarHBondContact O-N 3.18Å; G438-L441 WeakPolarHBondContact O-CB 3.47Å; G438-L441 PolarHBondContact O-N 3.49Å; G438-L441 VanDerWaalsContact O-N 3.07Å; S439-L441 VanDerWaalsContact C-N 3.33Å; S439-L441 PolarHBondContact O-N 3.43Å; L441-S443 PolarHBondContact O-N 3.03Å; L441-K444 PolarHBondContact O-N 2.87Å; L441-L445 HydrophobicContact CD1-CD1 4Å; L441-L445 HydrophobicContact CD1-CG 4.03Å; L441-L445 HydrophobicContact CG-CD1 4.08Å; L441-L445 HydrophobicContact CG-CG 4.43Å; L441-L445 WeakPolarHBondContact O-CG 3.31Å; L441-L445 PolarHBondContact O-N 3.24Å
442I97.3Very high96.4Very high22 Ų2266.5 Ų66.511%0.11334%0.338CS..Hα-helixtrans-56.5-51.1175.9-68.2162.6000109.9L355 L358 K359 N362 G438 S439 K444 L445 Q446L355-I442 HydrophobicContact CD2-CG2 4.09Å; L358-I442 HydrophobicContact CB-CD1 4.34Å; L358-I442 HydrophobicContact CB-CG1 3.9Å; K359-I442 HydrophobicContact CG-CD1 4.13Å; K359-I442 HydrophobicContact CG-CG1 4.44Å; K359-I442 HydrophobicContact CG-CG2 4.11Å; N362-I442 HydrophobicContact CB-CD1 3.55Å; G438-I442 WeakPolarHBondContact O-CG1 3.49Å; G438-I442 PolarHBondContact O-N 3.04Å; S439-I442 PolarHBondContact O-N 2.75Å; I442-K444 VanDerWaalsContact C-N 3.32Å; I442-K444 PolarHBondContact O-N 3.49Å; I442-L445 PolarHBondContact O-N 2.73Å; I442-Q446 WeakPolarHBondContact O-CB 3.43Å; I442-Q446 PolarHBondContact O-N 3.47Å
443S97.3Very high96.1Very high71 Ų7169 Ų6950%0.49735%0.348SS..Hα-helixtrans-56.6-43.5178.5-59.10000112.6S439 L441 A447S439-S443 PolarHBondContact O-N 3.19Å; S439-S443 PolarHBondContact O-OG 3.06Å; S439-S443 VanDerWaalsContact O-OG 3.07Å; L441-S443 PolarHBondContact O-N 3.03Å; S443-A447 WeakPolarHBondContact O-CB 3.38Å; S443-A447 PolarHBondContact O-N 2.91Å; S443-A447 VanDerWaalsContact O-N 3.1Å
444K95.8Very high95.7Very high131 Ų13168.3 Ų68.357%0.5735%0.346SS*.Hα-helixtrans-66-37178.7-71163.9-167.8169.70113N440 L441 I442N440-K444 VanDerWaalsContact O-CD 3.24Å; N440-K444 WeakPolarHBondContact O-CD 3.44Å; N440-K444 WeakPolarHBondContact O-CG 3.42Å; N440-K444 PolarHBondContact O-N 3.42Å; L441-K444 PolarHBondContact O-N 2.87Å; I442-K444 VanDerWaalsContact C-N 3.32Å; I442-K444 PolarHBondContact O-N 3.49Å
445L97.3Very high95.2Very high26 Ų2666.4 Ų66.414%0.13634%0.339CS..Hα-helixtrans-80.9-39.1178.6-63.6-177.9000111.8L351 R354 L355 L358 L441 I442 K448 H449L351-L445 HydrophobicContact CD2-CB 4.27Å; L351-L445 HydrophobicContact CD2-CD2 3.74Å; L351-L445 HydrophobicContact CD2-CG 4.48Å; R354-L445 HydrophobicContact CG-CD1 4.29Å; L355-L445 HydrophobicContact CD1-CB 4.38Å; L355-L445 HydrophobicContact CD2-CB 3.83Å; L355-L445 HydrophobicContact CG-CB 4.05Å; L358-L445 HydrophobicContact CD1-CD1 3.71Å; L441-L445 HydrophobicContact CD1-CD1 4Å; L441-L445 HydrophobicContact CD1-CG 4.03Å; L441-L445 HydrophobicContact CG-CD1 4.08Å; L441-L445 HydrophobicContact CG-CG 4.43Å; L441-L445 WeakPolarHBondContact O-CG 3.31Å; L441-L445 PolarHBondContact O-N 3.24Å; I442-L445 PolarHBondContact O-N 2.73Å; L445-K448 PolarHBondContact O-N 3.49Å; L445-H449 WeakPolarHBondContact O-CB 3.48Å; L445-H449 PolarHBondContact O-N 3.49Å
446Q97.1Very high94.6Very high40 Ų4066.3 Ų66.319%0.18734%0.341CS..Hα-helixtrans-61.2-46.3178.7-172.66755.400110.9L355 K359 I442 K448 H449 D450L355-Q446 HydrophobicContact CD1-CB 4.47Å; L355-Q446 HydrophobicContact CD2-CB 4.13Å; K359-Q446 VanDerWaalsContact CE-OE1 3.28Å; I442-Q446 WeakPolarHBondContact O-CB 3.43Å; I442-Q446 PolarHBondContact O-N 3.47Å; Q446-K448 VanDerWaalsContact C-N 3.26Å; Q446-K448 PolarHBondContact O-N 3.49Å; Q446-H449 WeakPolarHBondContact O-CB 3.46Å; Q446-H449 PolarHBondContact O-N 3.27Å; Q446-D450 WeakPolarHBondContact CG-OD2 3.21Å; Q446-D450 PolarHBondContact NE2-OD1 3.33Å; Q446-D450 PolarHBondContact NE2-OD2 3.35Å; Q446-D450 WeakPolarHBondContact O-CB 3.39Å; Q446-D450 PolarHBondContact O-N 2.96Å
447A95.6Very high93.1Very high66 Ų6665.8 Ų65.855%0.54535%0.352SS..Hα-helixtrans-59.4-35176.700000113.3S443 L451S443-A447 WeakPolarHBondContact O-CB 3.38Å; S443-A447 PolarHBondContact O-N 2.91Å; S443-A447 VanDerWaalsContact O-N 3.1Å; A447-L451 PolarHBondContact O-N 3.23Å
448K94.7Very high91Very high136 Ų13666.1 Ų66.159%0.59136%0.358SS*.Hα-helixtrans-75.2-44.3175.8-67.8-178.9-178.9-173.90111.8L351 L445 Q446 D450 L451 L452L351-K448 HydrophobicContact CD1-CB 4.15Å; L445-K448 PolarHBondContact O-N 3.49Å; Q446-K448 VanDerWaalsContact C-N 3.26Å; Q446-K448 PolarHBondContact O-N 3.49Å; K448-D450 VanDerWaalsContact C-N 3.35Å; K448-D450 PolarHBondContact O-N 2.85Å; K448-L451 PolarHBondContact O-N 2.98Å; K448-L452 PolarHBondContact O-N 2.9Å; K448-L452 VanDerWaalsContact O-N 3.07Å
449H95.8Very high88.6Confident17 Ų1768.2 Ų68.28%0.07938%0.379CS..Hα-helixtrans-55.9-47.8173.8168.2-85.2000111.3F348 L351 L355 L445 Q446 L451 L452 K453F348-H449 AromaticContact CD2-CD2 3.92Å; F348-H449 AromaticContact CE2-CD2 3.48Å; F348-H449 VanDerWaalsContact CE2-CD2 3.48Å; F348-H449 WeakPolarHBondContact CE2-CD2 3.47Å; F348-H449 AromaticContact CE2-CE1 3.91Å; F348-H449 AromaticContact CE2-NE2 3.36Å; F348-H449 WeakPolarHBondContact CE2-NE2 3.3Å; F348-H449 AromaticContact CZ-NE2 3.77Å; L351-H449 HydrophobicContact CB-CB 4.23Å; L355-H449 HydrophobicContact CD1-CB 3.54Å; L445-H449 WeakPolarHBondContact O-CB 3.48Å; L445-H449 PolarHBondContact O-N 3.49Å; Q446-H449 WeakPolarHBondContact O-CB 3.46Å; Q446-H449 PolarHBondContact O-N 3.27Å; H449-L451 VanDerWaalsContact C-N 3.33Å; H449-L451 PolarHBondContact O-N 2.92Å; H449-L452 PolarHBondContact O-N 3.14Å; H449-K453 VanDerWaalsContact O-CB 3.29Å; H449-K453 WeakPolarHBondContact O-CB 3.36Å; H449-K453 PolarHBondContact O-N 2.85Å
450D94.6Very high86Confident55 Ų5575.2 Ų75.229%0.29441%0.408SS..Hα-helixtrans-77.4-16.7-175.7-64.6-24.2000113.8Q446 K448 R454Q446-D450 WeakPolarHBondContact CG-OD2 3.21Å; Q446-D450 PolarHBondContact NE2-OD1 3.33Å; Q446-D450 PolarHBondContact NE2-OD2 3.35Å; Q446-D450 WeakPolarHBondContact O-CB 3.39Å; Q446-D450 PolarHBondContact O-N 2.96Å; K448-D450 VanDerWaalsContact C-N 3.35Å; K448-D450 PolarHBondContact O-N 2.85Å; D450-R454 PolarHBondContact O-NE 3.49Å; D450-R454 PolarHBondContact O-NH2 2.93Å
451L94.3Very high83.3Confident73 Ų7382.6 Ų82.638%0.38243%0.429SS..Hα-helixtrans-75.6-49.6166.4-172.761.1000110.5I334 A447 K448 H449 K453 R454 T455I334-L451 HydrophobicContact CD1-CD2 3.77Å; I334-L451 HydrophobicContact CD1-CG 3.72Å; I334-L451 HydrophobicContact CG1-CD2 4.33Å; I334-L451 HydrophobicContact CG1-CG 4.43Å; A447-L451 PolarHBondContact O-N 3.23Å; K448-L451 PolarHBondContact O-N 2.98Å; H449-L451 VanDerWaalsContact C-N 3.33Å; H449-L451 PolarHBondContact O-N 2.92Å; L451-K453 VanDerWaalsContact C-N 3.33Å; L451-K453 PolarHBondContact O-N 2.68Å; L451-R454 PolarHBondContact O-N 3.17Å; L451-T455 PolarHBondContact O-N 2.75Å; L451-T455 PolarHBondContact O-OG1 2.8Å
452L92.4Very high80.2Confident13 Ų1384.4 Ų84.47%0.06845%0.453CS..Hα-helixtrans-61.7-38.2175-69.5172.5000112.5I334 L344 R347 F348 L351 K448 H449 R454 T455 L456I334-L452 HydrophobicContact CD1-CD2 3.87Å; L344-L452 HydrophobicContact CB-CD2 4.5Å; L344-L452 HydrophobicContact CD2-CD2 3.88Å; R347-L452 HydrophobicContact CG-CD1 4.48Å; F348-L452 HydrophobicContact CB-CB 4.34Å; F348-L452 HydrophobicContact CB-CD1 4.44Å; F348-L452 HydrophobicContact CD2-CB 4.14Å; L351-L452 HydrophobicContact CD1-CD1 3.84Å; K448-L452 PolarHBondContact O-N 2.9Å; K448-L452 VanDerWaalsContact O-N 3.07Å; H449-L452 PolarHBondContact O-N 3.14Å; L452-R454 VanDerWaalsContact C-N 3.26Å; L452-R454 PolarHBondContact O-N 3.13Å; L452-T455 PolarHBondContact O-N 3Å; L452-L456 HydrophobicContact CB-CD1 4.39Å; L452-L456 WeakPolarHBondContact O-CB 3.46Å; L452-L456 VanDerWaalsContact O-CG 3.32Å; L452-L456 WeakPolarHBondContact O-CG 3.47Å; L452-L456 PolarHBondContact O-N 2.89Å
453K92.4Very high77.2Confident123 Ų12390.2 Ų90.254%0.53548%0.484SS..Hα-helixtrans-59.2-36.6178-168.8179.1175.6-175.20112.4F348 H449 L451 G457F348-K453 HydrophobicContact CD2-CB 4.45Å; F348-K453 HydrophobicContact CE2-CB 3.73Å; F348-K453 HydrophobicContact CE2-CG 4.05Å; F348-K453 HydrophobicContact CZ-CB 4.4Å; F348-K453 HydrophobicContact CZ-CG 4.23Å; H449-K453 VanDerWaalsContact O-CB 3.29Å; H449-K453 WeakPolarHBondContact O-CB 3.36Å; H449-K453 PolarHBondContact O-N 2.85Å; L451-K453 VanDerWaalsContact C-N 3.33Å; L451-K453 PolarHBondContact O-N 2.68Å; K453-G457 WeakPolarHBondContact O-CA 3.2Å; K453-G457 PolarHBondContact O-N 3.25Å
454R90Very high74.1Confident151 Ų15196.9 Ų96.957%0.5750%0.5SS*.Hα-helixtrans-70-56.1174.3-76.4174.1-76148.4-5.2110.1D450 L451 L452 L456 G457 D458D450-R454 PolarHBondContact O-NE 3.49Å; D450-R454 PolarHBondContact O-NH2 2.93Å; L451-R454 PolarHBondContact O-N 3.17Å; L452-R454 VanDerWaalsContact C-N 3.26Å; L452-R454 PolarHBondContact O-N 3.13Å; R454-L456 VanDerWaalsContact C-N 3.29Å; R454-L456 PolarHBondContact O-N 3.24Å; R454-G457 PolarHBondContact O-N 3.33Å; R454-G457 VanDerWaalsContact O-N 3.15Å; R454-D458 PolarHBondContact O-N 2.78Å; R454-D458 VanDerWaalsContact O-N 3.15Å
455T86.9Confident71.1Confident39 Ų3998.5 Ų98.524%0.23951%0.511CS..Hα-helixtrans-56.4-38.7-178.9-530000113.9I334 A336 L451 L452I334-T455 HydrophobicContact CB-CG2 3.94Å; I334-T455 HydrophobicContact CG2-CG2 3.97Å; I334-T455 WeakPolarHBondContact O-CG2 3.26Å; A336-T455 HydrophobicContact CB-CG2 4Å; L451-T455 PolarHBondContact O-N 2.75Å; L451-T455 PolarHBondContact O-OG1 2.8Å; L452-T455 PolarHBondContact O-N 3Å
456L84.2Confident68Low40 Ų40102.3 Ų102.321%0.20954%0.536CS..Hα-helixtrans-89.2-21.7-179.1-60.1173.9000113A336 N341 L344 I345 F348 L452 R454A336-L456 HydrophobicContact CB-CD2 4.29Å; N341-L456 WeakPolarHBondContact OD1-CD2 3.17Å; L344-L456 HydrophobicContact CB-CD1 4.49Å; L344-L456 HydrophobicContact CB-CD2 4.21Å; I345-L456 HydrophobicContact CG1-CD1 4.1Å; I345-L456 HydrophobicContact CG1-CD2 3.94Å; F348-L456 HydrophobicContact CB-CD1 3.67Å; F348-L456 HydrophobicContact CG-CD1 4.1Å; L452-L456 HydrophobicContact CB-CD1 4.39Å; L452-L456 WeakPolarHBondContact O-CB 3.46Å; L452-L456 VanDerWaalsContact O-CG 3.32Å; L452-L456 WeakPolarHBondContact O-CG 3.47Å; L452-L456 PolarHBondContact O-N 2.89Å; R454-L456 VanDerWaalsContact C-N 3.29Å; R454-L456 PolarHBondContact O-N 3.24Å
457G65.8Low65Low59 Ų59106.6 Ų106.661%0.60857%0.565SS**Hα-helixtrans-74.8-31.9176.500000113.2K453 R454 G459K453-G457 WeakPolarHBondContact O-CA 3.2Å; K453-G457 PolarHBondContact O-N 3.25Å; R454-G457 PolarHBondContact O-N 3.33Å; R454-G457 VanDerWaalsContact O-N 3.15Å; G457-G459 PolarHBondContact O-N 3.47Å; G457-G459 VanDerWaalsContact O-N 3.12Å
458D52.7Low61.8Low128 Ų128108.3 Ų108.368%0.68457%0.573SS**THydrogen-bonded Turntrans-76.611.7179.3-71.2-31.7000114.1R454 H460R454-D458 PolarHBondContact O-N 2.78Å; R454-D458 VanDerWaalsContact O-N 3.15Å; D458-H460 PolarHBondContact O-N 3.39Å
459G46.8Very low58.7Low62 Ų62113 Ų11364%0.63959%0.587SS**THydrogen-bonded Turntrans-64.817.1179.800000116.4G457G457-G459 PolarHBondContact O-N 3.47Å; G457-G459 VanDerWaalsContact O-N 3.12Å
460H41.3Very low56Low186 Ų186120.4 Ų120.486%0.86162%0.621SS**THydrogen-bonded Turntrans-143.232.8-178.9-109.456.7000115.5D458D458-H460 PolarHBondContact O-N 3.39Å
461R40.9Very low53.6Low237 Ų237123.2 Ų123.289%0.89464%0.642SS**  trans-172.1117.5149.5-112168.2-179.3-173.3-0.2114.1
462A31.2Very low50.7Low97 Ų97126.7 Ų126.780%0.80266%0.661SS**  168.1113.311700000111.8
463D33.8Very low47.7Very low144 Ų144129.5 Ų129.577%0.7769%0.693SS**  trans-94.8160.3149.5-74.2-53.7000109.1
464Y33.5Very low44.7Very low212 Ų212130.3 Ų130.383%0.83170%0.703SS**  trans68.485.1167.9-56.3-74.2000119.7
465M30.9Very low42Very low165 Ų165132.5 Ų132.581%0.81371%0.713SS**  66.3140.2111.7-143.3-179.5-175.700122.7
466T32.2Very low39.4Very low106 Ų106140 Ų14065%0.6574%0.742SS**  trans76.3117.815127.20000122.6
467T34.5Very low37.1Very low130 Ų130144.1 Ų144.180%0.79877%0.769SS**  trans54.4125.5141.456.90000121.7
468S29.3Very low35.5Very low101 Ų101149.5 Ų149.571%0.70678%0.783SS**  170.5121.4106.4-173.60000115
469R29.8Very low34.8Very low235 Ų235149.8 Ų149.889%0.88779%0.789SS**  trans57.6118.3144.4-65.9177.8179.7-173.7-0.3122.9
470H39.2Very low33.9Very low172 Ų172150 Ų15080%0.79679%0.791SS**  trans-62166.9143.8-77.5-77.3000113.1
471P44.3Very low33.5Very low114 Ų114147.5 Ų147.574%0.7479%0.792SS**  -111.2135.5103.2-1129.5000112.2
472N33Very low33Very low147 Ų147148.1 Ų148.179%0.78679%0.794SS**  60.7128.785.2-63.9-7.3000113.6
473G30Very low32.9Very low72 Ų72155 Ų15574%0.74280%0.799SS**  cis-168.8-1660.500000109.6
474L29.1Very low32.9Very low140 Ų140153.8 Ų153.873%0.73380%0.8SS**  cis-156.4174.73.7-150.377.2000110.1
475Y33.1Very low32.8Very low197 Ų197155.2 Ų155.277%0.77380%0.803SS**  trans-53.9168.5-176.1-40.7-67.4000115.7
476K31.5Very low33Very low195 Ų195153.1 Ų153.185%0.84880%0.802SS**  cis-164.1165.533.6-148.8156.4-171.2178.40114.3
477T36.8Very low33.1Very low127 Ų127159 Ų15978%0.77981%0.812SS**  trans-79.7156.9178.445.40000114.4
478L30.9Very low33.3Very low172 Ų172158.1 Ų158.190%0.90181%0.811SS**  trans-153.6157.4141.3-110.5172.5000110.5
479T37.9Very low34.1Very low135 Ų135157.3 Ų157.383%0.82881%0.805SS**  trans-108.8137.7-165.847.30000113.8
480G29.8Very low35.1Very low66 Ų66149.8 Ų149.868%0.6878%0.779SS**  trans-126.6153.1164.600000111.4
481P32.4Very low35.7Very low134 Ų134150 Ų15087%0.8779%0.786SS**PPolyproline II helixtrans-74.7143.9-170.229.4-35000113.5
482R30.1Very low36.5Very low249 Ų249146.5 Ų146.594%0.9476%0.762SS**PPolyproline II helixtrans-68.4127.4172.1-73.4176.9162.2122.6-5.3110.9
483R29.5Very low38.4Very low241 Ų241146.9 Ų146.991%0.90976%0.757SS**PPolyproline II helixtrans-96129.2146.2-72.6-173176.5-171.4-0.5108.1
484P33.7Very low40.9Very low120 Ų120144.5 Ų144.578%0.77973%0.727SS**PPolyproline II helixtrans-75.9140.8174.930.9-33000110.9
485R31.1Very low43.7Very low242 Ų242138 Ų13891%0.91369%0.693SS**PPolyproline II helixtrans-75.1141.6159.6-89.3-177.8167.7166.1-4.7109
486P33.9Very low46.2Very low120 Ų120133.3 Ų133.378%0.77968%0.681SS**PPolyproline II helixtrans-64.6157.8-178.3-2233.9000113.6
487R35.9Very low48.8Very low229 Ų229124.5 Ų124.586%0.86465%0.646SS**PPolyproline II helixtrans-83.6157156.6-70.6177.3170.5173.8-4.3108.8C489R487-C489 PolarHBondContact O-N 2.75Å; R487-C489 PolarHBondContact O-SG 2.75Å
488S38.4Very low51.2Low112 Ų112120.4 Ų120.478%0.78362%0.619SS**PPolyproline II helixtrans-53.3128.7160.1176.90000108.7
489C46.6Very low53.9Low85 Ų85112.6 Ų112.657%0.57458%0.578SS**  trans-119.7-8.8-15123.40000115.7R487R487-C489 PolarHBondContact O-N 2.75Å; R487-C489 PolarHBondContact O-SG 2.75Å
490F50.8Low56.2Low77 Ų77108.8 Ų108.834%0.33855%0.551SS.*  trans-125.9131.5-173.7-48.5-53.6000111.8V492 S506F490-V492 VanDerWaalsContact C-N 3.25Å; F490-V492 PolarHBondContact O-N 2.87Å; F490-S506 VanDerWaalsContact CE1-CA 3.45Å
491N51.5Low58.9Low175 Ų175108 Ų10894%0.93654%0.535SS*.SBendtrans-8711.2177.7-73.1-55.7000113.1
492V60.9Low61.3Low42 Ų42102.2 Ų102.226%0.25550%0.496SS..SBendtrans-120.2140.7-172.6-177.50000109.6F490 F502 D505F490-V492 VanDerWaalsContact C-N 3.25Å; F490-V492 PolarHBondContact O-N 2.87Å; V492-F502 HydrophobicContact CG1-CB 4.49Å; V492-F502 HydrophobicContact CG1-CD2 4.44Å; V492-D505 HydrophobicContact CG2-CB 4.17Å; V492-D505 WeakPolarHBondContact CG2-OD2 3.49Å
493K72.1Confident64Low155 Ų15590.7 Ų90.767%0.67445%0.454SS*.  trans-68.9132.6175.9-62.3-179.3-178.6175.10110.4F495K493-F495 WeakPolarHBondContact CB-O 3.28Å
494L82.2Confident66.6Low21 Ų2185.1 Ų85.111%0.1144%0.436CS..SBendtrans-70.5-54.3176.8177.764.5000111.7F502 V513 F548 Y574L494-F502 HydrophobicContact CB-CE2 4.34Å; L494-F502 HydrophobicContact CD1-CD1 4.49Å; L494-F502 HydrophobicContact CD1-CD2 4.26Å; L494-F502 HydrophobicContact CD1-CE1 3.92Å; L494-F502 HydrophobicContact CD1-CE2 3.65Å; L494-F502 HydrophobicContact CD1-CZ 3.48Å; L494-F502 VanDerWaalsContact CD1-CZ 3.48Å; L494-V513 HydrophobicContact CD1-CG1 3.97Å; L494-V513 HydrophobicContact CD2-CB 4.32Å; L494-V513 HydrophobicContact CD2-CG1 4.17Å; L494-V513 HydrophobicContact CG-CG1 4.24Å; L494-F548 HydrophobicContact CD2-CB 3.68Å; L494-Y574 HydrophobicContact CD1-CE2 3.93Å; L494-Y574 HydrophobicContact CG-CE2 4.16Å; L494-Y574 VanDerWaalsContact O-CE2 3.29Å; L494-Y574 WeakPolarHBondContact O-CE2 3.47Å
495F87.8Confident68.9Low3 Ų384.2 Ų84.21%0.01343%0.425CS..SBendtrans-89.4150.3171.4-67.9-107.4000109.7K493 G497 V513 K545 F548 E549 V570 L573 Y574K493-F495 WeakPolarHBondContact CB-O 3.28Å; F495-G497 VanDerWaalsContact C-N 3.32Å; F495-G497 PolarHBondContact O-N 3.38Å; F495-V513 HydrophobicContact CE2-CG2 4.36Å; F495-V513 HydrophobicContact CZ-CG2 3.95Å; F495-K545 HydrophobicContact CD1-CD 4.09Å; F495-K545 HydrophobicContact CD1-CG 4.17Å; F495-K545 HydrophobicContact CD2-CG 3.94Å; F495-K545 HydrophobicContact CE1-CB 4.35Å; F495-K545 HydrophobicContact CE1-CD 4.2Å; F495-K545 HydrophobicContact CE1-CG 3.99Å; F495-K545 HydrophobicContact CE2-CB 4.25Å; F495-K545 HydrophobicContact CE2-CG 3.76Å; F495-K545 HydrophobicContact CG-CD 4.28Å; F495-K545 HydrophobicContact CG-CG 4.15Å; F495-K545 HydrophobicContact CZ-CB 3.96Å; F495-K545 HydrophobicContact CZ-CD 4.49Å; F495-K545 HydrophobicContact CZ-CG 3.79Å; F495-F548 HydrophobicContact CE2-CB 4.15Å; F495-E549 HydrophobicContact CD2-CG 3.71Å; F495-E549 HydrophobicContact CE2-CG 4.34Å; F495-V570 HydrophobicContact CZ-CG1 4.06Å; F495-L573 HydrophobicContact CE1-CG 4.42Å; F495-Y574 HydrophobicContact CD1-CD2 4.11Å; F495-Y574 HydrophobicContact CE1-CD2 4.07Å; F495-Y574 HydrophobicContact CE1-CG 4.48Å; F495-Y574 HydrophobicContact CE2-CD2 4.47Å; F495-Y574 HydrophobicContact CG-CD2 4.34Å; F495-Y574 HydrophobicContact CZ-CD2 4.25Å
496N86.8Confident71.2Confident100 Ų10073.6 Ų73.654%0.53539%0.387SS..SBendtrans57.941.3176.9-50.5-5.7000113.8G577N496-G577 VanDerWaalsContact CA-O 3.28Å; N496-G577 WeakPolarHBondContact CA-O 3.39Å; N496-G577 WeakPolarHBondContact OD1-CA 3.38Å; N496-G577 PolarHBondContact OD1-O 2.94Å
497G85.4Confident73.4Confident10 Ų1071.1 Ų71.110%0.10338%0.384CS..SBendtrans-138.5177.8173.200000112.3F495 E579F495-G497 VanDerWaalsContact C-N 3.32Å; F495-G497 PolarHBondContact O-N 3.38Å; G497-E579 VanDerWaalsContact C-CB 3.48Å; G497-E579 PolarHBondContact O-N 3.42Å; G497-E579 VanDerWaalsContact O-N 3.09Å
498N87Confident75.6Confident40 Ų4062.9 Ų62.921%0.21436%0.355CS..  trans-76.3119.8178-171.8-50.5000112.2E500 S501 F502 E579 N580N498-E500 PolarHBondContact O-N 3.07Å; N498-E500 WeakPolarHBondContact OD1-CB 3.48Å; N498-E500 PolarHBondContact OD1-N 3.42Å; N498-S501 PolarHBondContact O-N 3.27Å; N498-S501 PolarHBondContact OD1-N 2.92Å; N498-F502 PolarHBondContact O-N 3.1Å; N498-E579 WeakPolarHBondContact CB-OE2 3.49Å; N498-E579 PolarHBondContact N-OE2 3.47Å; N498-E579 VanDerWaalsContact N-OE2 3.11Å; N498-N580 PolarHBondContact ND2-ND2 3.4Å
499L87.9Confident77.9Confident8 Ų859.3 Ų59.34%0.04233%0.332CS..Hα-helixtrans-58.9-41.1179.1177.960.9000113.3F502 I503 P511 L578 L582 V618 V621L499-F502 PolarHBondContact O-N 3.16Å; L499-I503 HydrophobicContact CD1-CD1 3.84Å; L499-I503 HydrophobicContact CD1-CG1 4.2Å; L499-I503 HydrophobicContact CG-CD1 3.96Å; L499-I503 VanDerWaalsContact O-CG1 3.31Å; L499-I503 WeakPolarHBondContact O-CG1 3.46Å; L499-I503 PolarHBondContact O-N 2.76Å; L499-P511 HydrophobicContact CD1-CG 3.48Å; L499-P511 VanDerWaalsContact CD1-CG 3.48Å; L499-L578 HydrophobicContact CB-CD1 4.32Å; L499-L578 HydrophobicContact CB-CD2 4.25Å; L499-L578 HydrophobicContact CD2-CD1 4.16Å; L499-L582 HydrophobicContact CD2-CD1 3.83Å; L499-V618 HydrophobicContact CD2-CG1 4.36Å; L499-V618 HydrophobicContact CD2-CG2 4.28Å; L499-V621 HydrophobicContact CD2-CB 4.44Å; L499-V621 HydrophobicContact CD2-CG1 4.34Å; L499-V621 HydrophobicContact CD2-CG2 4.44Å
500E86.3Confident80Confident55 Ų5555.7 Ų55.726%0.25731%0.307SS..Hα-helixtrans-69.9-39.3-178-162.2-169.9151.100111.4N498 K504 P615 L617N498-E500 PolarHBondContact O-N 3.07Å; N498-E500 WeakPolarHBondContact OD1-CB 3.48Å; N498-E500 PolarHBondContact OD1-N 3.42Å; E500-K504 VanDerWaalsContact O-CG 3.31Å; E500-K504 WeakPolarHBondContact O-CG 3.39Å; E500-K504 PolarHBondContact O-N 3.07Å; E500-K504 VanDerWaalsContact OE1-CE 3.28Å; E500-K504 WeakPolarHBondContact OE1-CE 3.35Å; E500-K504 IonicContact OE1-NZ 2.68Å; E500-K504 PolarHBondContact OE1-NZ 3.01Å; E500-P615 WeakPolarHBondContact OE2-CG 3.42Å; E500-L617 HydrophobicContact CG-CB 4.48Å; E500-L617 HydrophobicContact CG-CD1 3.97Å
501S85.6Confident81.9Confident51 Ų5152 Ų5236%0.35729%0.291SS..Hα-helixtrans-65.4-43.7172.4-55.90000111.5N498 I503 K504 D505N498-S501 PolarHBondContact O-N 3.27Å; N498-S501 PolarHBondContact OD1-N 2.92Å; S501-I503 PolarHBondContact O-N 2.97Å; S501-K504 PolarHBondContact O-N 3.27Å; S501-D505 WeakPolarHBondContact O-CB 3.25Å; S501-D505 PolarHBondContact O-N 2.68Å
502F84.5Confident83.7Confident11 Ų1148.5 Ų48.55%0.04826%0.264CS..Hα-helixtrans-60.7-44.1178-178.9-89000112.2V492 L494 N498 L499 K504 D505 S506 P511V492-F502 HydrophobicContact CG1-CB 4.49Å; V492-F502 HydrophobicContact CG1-CD2 4.44Å; L494-F502 HydrophobicContact CB-CE2 4.34Å; L494-F502 HydrophobicContact CD1-CD1 4.49Å; L494-F502 HydrophobicContact CD1-CD2 4.26Å; L494-F502 HydrophobicContact CD1-CE1 3.92Å; L494-F502 HydrophobicContact CD1-CE2 3.65Å; L494-F502 HydrophobicContact CD1-CZ 3.48Å; L494-F502 VanDerWaalsContact CD1-CZ 3.48Å; N498-F502 PolarHBondContact O-N 3.1Å; L499-F502 PolarHBondContact O-N 3.16Å; F502-K504 PolarHBondContact O-N 3.02Å; F502-D505 PolarHBondContact O-N 3.42Å; F502-S506 WeakPolarHBondContact O-CB 3.36Å; F502-S506 PolarHBondContact O-N 3.19Å; F502-S506 PolarHBondContact O-OG 2.7Å; F502-P511 HydrophobicContact CD1-CB 4.23Å; F502-P511 HydrophobicContact CD1-CG 4.34Å; F502-P511 HydrophobicContact CE1-CB 3.96Å
503I85.6Confident85.3Confident8 Ų846.5 Ų46.54%0.04125%0.252CS..Hα-helixtrans-62.8-42.7177.9-70.1167.6000111.1L499 S501 G507 Q508 P511 L617 V621L499-I503 HydrophobicContact CD1-CD1 3.84Å; L499-I503 HydrophobicContact CD1-CG1 4.2Å; L499-I503 HydrophobicContact CG-CD1 3.96Å; L499-I503 VanDerWaalsContact O-CG1 3.31Å; L499-I503 WeakPolarHBondContact O-CG1 3.46Å; L499-I503 PolarHBondContact O-N 2.76Å; S501-I503 PolarHBondContact O-N 2.97Å; I503-G507 WeakPolarHBondContact O-CA 3.22Å; I503-G507 PolarHBondContact O-N 2.92Å; I503-Q508 WeakPolarHBondContact CG2-O 3.34Å; I503-P511 HydrophobicContact CG1-CG 4.46Å; I503-L617 HydrophobicContact CB-CD1 4.43Å; I503-L617 HydrophobicContact CD1-CB 4.12Å; I503-L617 HydrophobicContact CG2-CB 4.18Å; I503-L617 HydrophobicContact CG2-CD1 3.92Å; I503-L617 HydrophobicContact CG2-CD2 3.98Å; I503-L617 HydrophobicContact CG2-CG 4.23Å; I503-V621 HydrophobicContact CD1-CG2 3.85Å
504K83.9Confident86.3Confident123 Ų12339.1 Ų39.154%0.53522%0.22SC..Hα-helixtrans-64.8-45.3178.1-72.4169.9-174.2168.60112.8E500 S501 F502 L617E500-K504 VanDerWaalsContact O-CG 3.31Å; E500-K504 WeakPolarHBondContact O-CG 3.39Å; E500-K504 PolarHBondContact O-N 3.07Å; E500-K504 VanDerWaalsContact OE1-CE 3.28Å; E500-K504 WeakPolarHBondContact OE1-CE 3.35Å; E500-K504 IonicContact OE1-NZ 2.68Å; E500-K504 PolarHBondContact OE1-NZ 3.01Å; S501-K504 PolarHBondContact O-N 3.27Å; F502-K504 PolarHBondContact O-N 3.02Å; K504-L617 HydrophobicContact CD-CD1 4.5Å; K504-L617 HydrophobicContact CG-CD1 3.87Å
505D81.8Confident86.8Confident102 Ų10241.8 Ų41.855%0.54523%0.232SC..Hα-helixtrans-79.4-24.5-175.8-74.68000112.9V492 S501 F502V492-D505 HydrophobicContact CG2-CB 4.17Å; V492-D505 WeakPolarHBondContact CG2-OD2 3.49Å; S501-D505 WeakPolarHBondContact O-CB 3.25Å; S501-D505 PolarHBondContact O-N 2.68Å; F502-D505 PolarHBondContact O-N 3.42Å
506S79.9Confident87.1Confident19 Ų1941.8 Ų41.813%0.13323%0.232CC..Hα-helixtrans-92.4-22.6177.267.40000114.6F490 F502 Q508F490-S506 VanDerWaalsContact CE1-CA 3.45Å; F502-S506 WeakPolarHBondContact O-CB 3.36Å; F502-S506 PolarHBondContact O-N 3.19Å; F502-S506 PolarHBondContact O-OG 2.7Å; S506-Q508 PolarHBondContact O-N 2.94Å; S506-Q508 PolarHBondContact OG-N 3.05Å
507G80.1Confident87.5Confident68 Ų6837 Ų3770%0.70121%0.207SC*.  trans70.24.5-170.400000114.4I503I503-G507 WeakPolarHBondContact O-CA 3.22Å; I503-G507 PolarHBondContact O-N 2.92Å
508Q82.7Confident88Confident55 Ų5536.5 Ų36.526%0.25720%0.202SC..  trans-88.3111.4-179.6-62-178.3-8.700110.4I503 S506 I510I503-Q508 WeakPolarHBondContact CG2-O 3.34Å; S506-Q508 PolarHBondContact O-N 2.94Å; S506-Q508 PolarHBondContact OG-N 3.05Å; Q508-I510 VanDerWaalsContact C-N 3.26Å; Q508-I510 WeakPolarHBondContact CB-O 3.24Å; Q508-I510 PolarHBondContact O-N 3.01Å
509A85.6Confident88.3Confident37 Ų3737.1 Ų37.131%0.30620%0.201SC..SBendtrans-65.4-26.9-179.100000113.8P694A509-P694 VanDerWaalsContact CB-CD 3.48Å; A509-P694 HydrophobicContact CB-CG 3.88Å
510I90.7Very high88.5Confident9 Ų937.4 Ų37.45%0.04620%0.202CC..SBendtrans-119.9130.8163-58.1-64.3000106.8Q508 R512 V514 E515 I620 V621 Y624 P694Q508-I510 VanDerWaalsContact C-N 3.26Å; Q508-I510 WeakPolarHBondContact CB-O 3.24Å; Q508-I510 PolarHBondContact O-N 3.01Å; I510-R512 PolarHBondContact O-N 2.89Å; I510-V514 HydrophobicContact CG2-CB 3.97Å; I510-V514 HydrophobicContact CG2-CG1 3.92Å; I510-E515 HydrophobicContact CG2-CB 4.06Å; I510-I620 HydrophobicContact CD1-CG2 3.88Å; I510-V621 HydrophobicContact CD1-CB 4.47Å; I510-V621 HydrophobicContact CD1-CG2 4.03Å; I510-Y624 HydrophobicContact CD1-CD1 4.37Å; I510-Y624 HydrophobicContact CD1-CD2 4.15Å; I510-Y624 HydrophobicContact CD1-CG 3.8Å; I510-Y624 HydrophobicContact CG1-CD2 4.11Å; I510-Y624 HydrophobicContact CG1-CG 4.12Å; I510-Y624 HydrophobicContact CG2-CD1 4.27Å; I510-Y624 HydrophobicContact CG2-CE1 4.42Å; I510-P694 HydrophobicContact CG1-CB 3.94Å; I510-P694 HydrophobicContact CG1-CG 4.1Å
511P92Very high88.9Confident0 Ų034.8 Ų34.80%019%0.19CC..  trans-60.5132.9175.6-22.132000111.5L499 F502 I503 V513 V514 E515 Y574L499-P511 HydrophobicContact CD1-CG 3.48Å; L499-P511 VanDerWaalsContact CD1-CG 3.48Å; F502-P511 HydrophobicContact CD1-CB 4.23Å; F502-P511 HydrophobicContact CD1-CG 4.34Å; F502-P511 HydrophobicContact CE1-CB 3.96Å; I503-P511 HydrophobicContact CG1-CG 4.46Å; P511-V513 HydrophobicContact CB-CG1 4.42Å; P511-V513 PolarHBondContact O-N 3.18Å; P511-V514 HydrophobicContact CB-CG2 4.31Å; P511-V514 HydrophobicContact CG-CG2 4.43Å; P511-V514 WeakPolarHBondContact O-CA 3.44Å; P511-V514 WeakPolarHBondContact O-CB 3.24Å; P511-V514 PolarHBondContact O-N 3.05Å; P511-E515 PolarHBondContact O-N 3.2Å; P511-E515 VanDerWaalsContact O-N 3.11Å; P511-Y574 HydrophobicContact CB-CE1 4.46Å; P511-Y574 WeakPolarHBondContact CB-OH 3.21Å; P511-Y574 HydrophobicContact CG-CE1 4.37Å; P511-Y574 WeakPolarHBondContact CG-OH 3.32Å
512R89.4Confident89.1Confident101 Ų10133 Ų3338%0.38118%0.176SC..Hα-helixtrans-50-34.9-175-172.861.6177.2-131.3-6.7115.5I510 E515 S516 D553I510-R512 PolarHBondContact O-N 2.89Å; R512-E515 VanDerWaalsContact CD-OE2 3.25Å; R512-E515 WeakPolarHBondContact CD-OE2 3.4Å; R512-E515 PolarHBondContact O-N 2.88Å; R512-S516 WeakPolarHBondContact O-CB 3.35Å; R512-S516 PolarHBondContact O-N 3.4Å; R512-D553 IonicContact CZ-OD2 2.75Å; R512-D553 VanDerWaalsContact CZ-OD2 3.28Å; R512-D553 IonicContact NE-OD2 3.14Å; R512-D553 PolarHBondContact NE-OD2 3.26Å; R512-D553 IonicContact NH2-OD2 2.72Å; R512-D553 PolarHBondContact NH2-OD2 3.32Å
513V93Very high89.4Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-68.1-34.4175.860.50000113.1L494 F495 P511 C517 F548 V570 Y574L494-V513 HydrophobicContact CD1-CG1 3.97Å; L494-V513 HydrophobicContact CD2-CB 4.32Å; L494-V513 HydrophobicContact CD2-CG1 4.17Å; L494-V513 HydrophobicContact CG-CG1 4.24Å; F495-V513 HydrophobicContact CE2-CG2 4.36Å; F495-V513 HydrophobicContact CZ-CG2 3.95Å; P511-V513 HydrophobicContact CB-CG1 4.42Å; P511-V513 PolarHBondContact O-N 3.18Å; V513-C517 VanDerWaalsContact O-CB 3.22Å; V513-C517 WeakPolarHBondContact O-CB 3.14Å; V513-C517 PolarHBondContact O-N 3.4Å; V513-C517 PolarHBondContact O-SG 2.72Å; V513-F548 HydrophobicContact CB-CD1 3.93Å; V513-F548 HydrophobicContact CB-CD2 4.24Å; V513-F548 HydrophobicContact CB-CE1 4.11Å; V513-F548 HydrophobicContact CB-CE2 4.42Å; V513-F548 HydrophobicContact CB-CG 4Å; V513-F548 HydrophobicContact CB-CZ 4.36Å; V513-F548 HydrophobicContact CG2-CB 4.49Å; V513-F548 HydrophobicContact CG2-CD1 4.29Å; V513-F548 HydrophobicContact CG2-CD2 3.69Å; V513-F548 HydrophobicContact CG2-CE1 4.43Å; V513-F548 HydrophobicContact CG2-CE2 3.86Å; V513-F548 HydrophobicContact CG2-CG 3.93Å; V513-F548 HydrophobicContact CG2-CZ 4.23Å; V513-V570 HydrophobicContact CG2-CG1 4.04Å; V513-Y574 HydrophobicContact CG1-CD1 4.32Å; V513-Y574 HydrophobicContact CG1-CD2 3.43Å; V513-Y574 VanDerWaalsContact CG1-CD2 3.43Å; V513-Y574 HydrophobicContact CG1-CE1 4.38Å; V513-Y574 HydrophobicContact CG1-CE2 3.5Å; V513-Y574 VanDerWaalsContact CG1-CE2 3.5Å; V513-Y574 HydrophobicContact CG1-CG 3.86Å
514V94.7Very high89.6Confident0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-70.9-47.4173.7175.90000109.7I510 P511 I518 L571 Y574 F575I510-V514 HydrophobicContact CG2-CB 3.97Å; I510-V514 HydrophobicContact CG2-CG1 3.92Å; P511-V514 HydrophobicContact CB-CG2 4.31Å; P511-V514 HydrophobicContact CG-CG2 4.43Å; P511-V514 WeakPolarHBondContact O-CA 3.44Å; P511-V514 WeakPolarHBondContact O-CB 3.24Å; P511-V514 PolarHBondContact O-N 3.05Å; V514-I518 HydrophobicContact CG1-CD1 3.79Å; V514-I518 VanDerWaalsContact O-CB 3.26Å; V514-I518 WeakPolarHBondContact O-CB 3.3Å; V514-I518 VanDerWaalsContact O-CG1 3.29Å; V514-I518 WeakPolarHBondContact O-CG1 3.3Å; V514-I518 PolarHBondContact O-N 3.06Å; V514-L571 HydrophobicContact CB-CD1 4.36Å; V514-L571 HydrophobicContact CG1-CD1 4.26Å; V514-L571 HydrophobicContact CG2-CD1 4.36Å; V514-Y574 HydrophobicContact CG2-CD1 3.49Å; V514-Y574 VanDerWaalsContact CG2-CD1 3.49Å; V514-Y574 HydrophobicContact CG2-CE1 3.43Å; V514-Y574 VanDerWaalsContact CG2-CE1 3.43Å; V514-Y574 HydrophobicContact CG2-CG 4.45Å; V514-F575 HydrophobicContact CB-CZ 4.44Å; V514-F575 HydrophobicContact CG1-CE2 4.37Å; V514-F575 HydrophobicContact CG1-CZ 3.87Å; V514-F575 HydrophobicContact CG2-CE1 4.24Å; V514-F575 HydrophobicContact CG2-CE2 4.14Å; V514-F575 HydrophobicContact CG2-CZ 3.64Å
515E93.1Very high89.9Confident78 Ų7835.1 Ų35.136%0.36419%0.186SC..Hα-helixtrans-56.7-56.9178.5-178.6-178.9-139.800112I510 P511 R512 I518 R519I510-E515 HydrophobicContact CG2-CB 4.06Å; P511-E515 PolarHBondContact O-N 3.2Å; P511-E515 VanDerWaalsContact O-N 3.11Å; R512-E515 VanDerWaalsContact CD-OE2 3.25Å; R512-E515 WeakPolarHBondContact CD-OE2 3.4Å; R512-E515 PolarHBondContact O-N 2.88Å; E515-I518 PolarHBondContact O-N 3.41Å; E515-R519 PolarHBondContact O-N 3.38Å
516S92.6Very high90.5Very high2 Ų231.2 Ų31.21%0.01417%0.165CC..Hα-helixtrans-73.2-34.8-175.4-81.40000114R512 R519 Y520 D553R512-S516 WeakPolarHBondContact O-CB 3.35Å; R512-S516 PolarHBondContact O-N 3.4Å; S516-R519 PolarHBondContact O-N 3.29Å; S516-R519 PolarHBondContact OG-NH2 2.64Å; S516-Y520 WeakPolarHBondContact O-CB 3.25Å; S516-Y520 PolarHBondContact O-N 3.3Å; S516-D553 WeakPolarHBondContact CB-OD1 3.47Å; S516-D553 WeakPolarHBondContact CB-OD2 3.3Å; S516-D553 PolarHBondContact OG-OD1 3.49Å; S516-D553 PolarHBondContact OG-OD2 3.3Å
517C95.4Very high91.1Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-66.4-38.2171.9-70.70000111.7V513 I521 L555 V567 L571V513-C517 VanDerWaalsContact O-CB 3.22Å; V513-C517 WeakPolarHBondContact O-CB 3.14Å; V513-C517 PolarHBondContact O-N 3.4Å; V513-C517 PolarHBondContact O-SG 2.72Å; C517-I521 WeakPolarHBondContact O-CD1 3.42Å; C517-I521 VanDerWaalsContact O-CG1 3.22Å; C517-I521 WeakPolarHBondContact O-CG1 3.35Å; C517-I521 PolarHBondContact O-N 3.29Å; C517-L555 HydrophobicContact CB-CD1 4.37Å; C517-V567 HydrophobicContact CB-CG1 3.98Å; C517-L571 HydrophobicContact CB-CB 4.03Å; C517-L571 HydrophobicContact CB-CD1 4.08Å; C517-L571 HydrophobicContact CB-CG 4.48Å
518I96.3Very high91.7Very high0 Ų035.8 Ų35.80%017%0.165CC..Hα-helixtrans-66.7-44.4175-75.5175.6000110.9V514 E515 I521 N522 L571 Y624 L625 F628 Y696V514-I518 HydrophobicContact CG1-CD1 3.79Å; V514-I518 VanDerWaalsContact O-CB 3.26Å; V514-I518 WeakPolarHBondContact O-CB 3.3Å; V514-I518 VanDerWaalsContact O-CG1 3.29Å; V514-I518 WeakPolarHBondContact O-CG1 3.3Å; V514-I518 PolarHBondContact O-N 3.06Å; E515-I518 PolarHBondContact O-N 3.41Å; I518-I521 PolarHBondContact O-N 3.12Å; I518-N522 VanDerWaalsContact O-CB 3.29Å; I518-N522 WeakPolarHBondContact O-CB 3.33Å; I518-N522 PolarHBondContact O-N 2.95Å; I518-L571 HydrophobicContact CD1-CD2 4.44Å; I518-L571 HydrophobicContact CG1-CD1 4.32Å; I518-L571 HydrophobicContact CG1-CD2 3.8Å; I518-Y624 HydrophobicContact CB-CE1 4.15Å; I518-Y624 HydrophobicContact CD1-CD1 3.78Å; I518-Y624 HydrophobicContact CD1-CE1 3.77Å; I518-Y624 HydrophobicContact CG2-CE1 3.84Å; I518-L625 HydrophobicContact CD1-CD1 4.19Å; I518-F628 HydrophobicContact CB-CG 4.43Å; I518-F628 HydrophobicContact CD1-CB 4.24Å; I518-F628 HydrophobicContact CD1-CD1 3.97Å; I518-F628 HydrophobicContact CD1-CG 4.2Å; I518-F628 HydrophobicContact CG1-CD1 3.77Å; I518-F628 HydrophobicContact CG1-CE1 4.07Å; I518-F628 HydrophobicContact CG1-CG 4.05Å; I518-F628 HydrophobicContact CG2-CB 3.97Å; I518-F628 HydrophobicContact CG2-CD1 4.29Å; I518-F628 HydrophobicContact CG2-CD2 3.67Å; I518-F628 HydrophobicContact CG2-CE2 4.24Å; I518-F628 HydrophobicContact CG2-CG 3.69Å; I518-Y696 HydrophobicContact CG2-CD2 3.84Å; I518-Y696 HydrophobicContact CG2-CE2 3.72Å
519R92.5Very high92.3Very high52 Ų5239.3 Ų39.320%0.19618%0.182CC..Hα-helixtrans-58.9-48.5175.3179.8-179.355.176.69111.7E515 S516 I521 N522 L523 L555 M700E515-R519 PolarHBondContact O-N 3.38Å; S516-R519 PolarHBondContact O-N 3.29Å; S516-R519 PolarHBondContact OG-NH2 2.64Å; R519-I521 VanDerWaalsContact C-N 3.35Å; R519-I521 PolarHBondContact O-N 2.92Å; R519-N522 WeakPolarHBondContact O-CB 3.3Å; R519-N522 PolarHBondContact O-N 3.36Å; R519-N522 VanDerWaalsContact O-N 3.15Å; R519-L523 HydrophobicContact CG-CD1 3.85Å; R519-L523 HydrophobicContact CG-CG 4.41Å; R519-L523 WeakPolarHBondContact O-CG 3.42Å; R519-L523 PolarHBondContact O-N 3.16Å; R519-L555 PolarHBondContact NH1-O 2.87Å; R519-L555 PolarHBondContact NH2-O 2.67Å; R519-M700 HydrophobicContact CG-CB 4.37Å
520Y92.8Very high92.7Very high15 Ų1538 Ų386%0.05917%0.172CC..Hα-helixtrans-63.6-39.4-178.9-167.4-84.1000111.9S516 L523 Y524 L555 D560 H562 I564 V567S516-Y520 WeakPolarHBondContact O-CB 3.25Å; S516-Y520 PolarHBondContact O-N 3.3Å; Y520-L523 PolarHBondContact O-N 3Å; Y520-Y524 AromaticContact CD1-CD2 3.94Å; Y520-Y524 HydrophobicContact CD1-CD2 3.94Å; Y520-Y524 AromaticContact CD2-CD2 3.8Å; Y520-Y524 HydrophobicContact CD2-CD2 3.8Å; Y520-Y524 AromaticContact CD2-CE2 3.8Å; Y520-Y524 HydrophobicContact CD2-CE2 3.8Å; Y520-Y524 AromaticContact CE1-CD2 3.94Å; Y520-Y524 HydrophobicContact CE1-CD2 3.94Å; Y520-Y524 AromaticContact CE2-CD2 3.79Å; Y520-Y524 HydrophobicContact CE2-CD2 3.79Å; Y520-Y524 AromaticContact CE2-CE2 3.8Å; Y520-Y524 HydrophobicContact CE2-CE2 3.8Å; Y520-Y524 AromaticContact CG-CD2 3.89Å; Y520-Y524 HydrophobicContact CG-CD2 3.89Å; Y520-Y524 HydrophobicContact CG-CE2 4.3Å; Y520-Y524 AromaticContact CZ-CD2 3.87Å; Y520-Y524 WeakPolarHBondContact O-CD2 3.5Å; Y520-Y524 PolarHBondContact O-N 3.48Å; Y520-L555 HydrophobicContact CD2-CB 4.1Å; Y520-L555 HydrophobicContact CD2-CD2 4.12Å; Y520-L555 HydrophobicContact CE2-CD2 4.31Å; Y520-L555 HydrophobicContact CG-CD2 4.38Å; Y520-D560 PolarHBondContact OH-O 3.43Å; Y520-H562 PolarHBondContact OH-N 2.93Å; Y520-H562 PolarHBondContact OH-O 2.87Å; Y520-I564 HydrophobicContact CD1-CD1 3.72Å; Y520-I564 HydrophobicContact CE1-CD1 3.84Å; Y520-V567 HydrophobicContact CD1-CB 4.2Å; Y520-V567 HydrophobicContact CD1-CG1 3.98Å; Y520-V567 HydrophobicContact CD1-CG2 3.83Å; Y520-V567 HydrophobicContact CE1-CG2 3.83Å; Y520-V567 HydrophobicContact CG-CG1 4.42Å
521I94.1Very high92.9Very high0 Ų037.6 Ų37.60%017%0.17CC..Hα-helixtrans-71.9-30.5175-59.8165.2000111.8C517 I518 R519 G525 L526 I531 F532 I564 V567 A568 F628C517-I521 WeakPolarHBondContact O-CD1 3.42Å; C517-I521 VanDerWaalsContact O-CG1 3.22Å; C517-I521 WeakPolarHBondContact O-CG1 3.35Å; C517-I521 PolarHBondContact O-N 3.29Å; I518-I521 PolarHBondContact O-N 3.12Å; R519-I521 VanDerWaalsContact C-N 3.35Å; R519-I521 PolarHBondContact O-N 2.92Å; I521-G525 CarbonylContact O-C 3.6Å; I521-G525 WeakPolarHBondContact O-CA 3.48Å; I521-G525 PolarHBondContact O-N 3.16Å; I521-L526 PolarHBondContact O-N 3.5Å; I521-I531 HydrophobicContact CG2-CD1 4.42Å; I521-I531 HydrophobicContact CG2-CG1 4.16Å; I521-F532 HydrophobicContact CD1-CE1 4.17Å; I521-F532 HydrophobicContact CD1-CE2 4.32Å; I521-F532 HydrophobicContact CD1-CZ 3.57Å; I521-F532 HydrophobicContact CG2-CE2 4.47Å; I521-I564 HydrophobicContact CB-CD1 4.48Å; I521-I564 HydrophobicContact CG1-CD1 4.01Å; I521-V567 HydrophobicContact CD1-CG1 4.18Å; I521-V567 HydrophobicContact CG1-CG1 4.01Å; I521-A568 HydrophobicContact CD1-CB 3.96Å; I521-F628 HydrophobicContact CB-CE2 4.44Å; I521-F628 HydrophobicContact CB-CZ 4.02Å; I521-F628 HydrophobicContact CG2-CE2 4.25Å; I521-F628 HydrophobicContact CG2-CZ 3.72Å
522N91.4Very high93.2Very high13 Ų1337.7 Ų37.77%0.0717%0.17CC..Hα-helixtrans-68.7-33.8172.5-166.774000113.1I518 R519 L526 H631 Y696 K698I518-N522 VanDerWaalsContact O-CB 3.29Å; I518-N522 WeakPolarHBondContact O-CB 3.33Å; I518-N522 PolarHBondContact O-N 2.95Å; R519-N522 WeakPolarHBondContact O-CB 3.3Å; R519-N522 PolarHBondContact O-N 3.36Å; R519-N522 VanDerWaalsContact O-N 3.15Å; N522-L526 VanDerWaalsContact O-CD1 3.25Å; N522-L526 WeakPolarHBondContact O-CD1 3.37Å; N522-L526 WeakPolarHBondContact O-CG 3.23Å; N522-H631 PolarHBondContact OD1-ND1 2.82Å; N522-Y696 PolarHBondContact OD1-OH 3.47Å; N522-K698 PolarHBondContact ND2-O 3.13Å
523L89.4Confident93.5Very high71 Ų7140.5 Ų40.537%0.37218%0.181SC..Hα-helixtrans-81-37.8179.1-69.4169.6000112.8R519 Y520R519-L523 HydrophobicContact CG-CD1 3.85Å; R519-L523 HydrophobicContact CG-CG 4.41Å; R519-L523 WeakPolarHBondContact O-CG 3.42Å; R519-L523 PolarHBondContact O-N 3.16Å; Y520-L523 PolarHBondContact O-N 3Å
524Y90.4Very high93.5Very high116 Ų11643.8 Ų43.846%0.45520%0.201SC..Hα-helixtrans-127.4-4.4-167-50.1-59.8000115.2Y520 D558Y520-Y524 AromaticContact CD1-CD2 3.94Å; Y520-Y524 HydrophobicContact CD1-CD2 3.94Å; Y520-Y524 AromaticContact CD2-CD2 3.8Å; Y520-Y524 HydrophobicContact CD2-CD2 3.8Å; Y520-Y524 AromaticContact CD2-CE2 3.8Å; Y520-Y524 HydrophobicContact CD2-CE2 3.8Å; Y520-Y524 AromaticContact CE1-CD2 3.94Å; Y520-Y524 HydrophobicContact CE1-CD2 3.94Å; Y520-Y524 AromaticContact CE2-CD2 3.79Å; Y520-Y524 HydrophobicContact CE2-CD2 3.79Å; Y520-Y524 AromaticContact CE2-CE2 3.8Å; Y520-Y524 HydrophobicContact CE2-CE2 3.8Å; Y520-Y524 AromaticContact CG-CD2 3.89Å; Y520-Y524 HydrophobicContact CG-CD2 3.89Å; Y520-Y524 HydrophobicContact CG-CE2 4.3Å; Y520-Y524 AromaticContact CZ-CD2 3.87Å; Y520-Y524 WeakPolarHBondContact O-CD2 3.5Å; Y520-Y524 PolarHBondContact O-N 3.48Å; Y524-D558 PolarHBondContact OH-OD1 3.34Å
525G90.9Very high93.3Very high0 Ų048.4 Ų48.40%023%0.233CC..  trans-126.1-2.3-168.200000116.8I521 Q527 H528I521-G525 CarbonylContact O-C 3.6Å; I521-G525 WeakPolarHBondContact O-CA 3.48Å; I521-G525 PolarHBondContact O-N 3.16Å; G525-Q527 VanDerWaalsContact C-N 3.3Å; G525-Q527 PolarHBondContact O-N 3.01Å; G525-H528 PolarHBondContact O-N 2.89Å
526L93.8Very high93.1Very high20 Ų2045 Ų4511%0.10522%0.219CC..THydrogen-bonded Turntrans-60.4-38.1-177.9-66.8177.9000112.8I521 N522 L632 Y635 N639I521-L526 PolarHBondContact O-N 3.5Å; N522-L526 VanDerWaalsContact O-CD1 3.25Å; N522-L526 WeakPolarHBondContact O-CD1 3.37Å; N522-L526 WeakPolarHBondContact O-CG 3.23Å; L526-L632 HydrophobicContact CD2-CD1 3.81Å; L526-Y635 HydrophobicContact CB-CD1 4.5Å; L526-Y635 HydrophobicContact CB-CD2 4.1Å; L526-Y635 HydrophobicContact CB-CE2 4.23Å; L526-Y635 HydrophobicContact CB-CG 4.25Å; L526-Y635 HydrophobicContact CD1-CD2 4.47Å; L526-Y635 HydrophobicContact CD1-CE2 3.82Å; L526-Y635 HydrophobicContact CD2-CD2 4.39Å; L526-Y635 HydrophobicContact CD2-CE2 4.37Å; L526-Y635 HydrophobicContact CG-CE2 4.37Å; L526-Y635 WeakPolarHBondContact O-CB 3.34Å; L526-N639 WeakPolarHBondContact O-CB 3.33Å; L526-N639 PolarHBondContact O-ND2 3.39Å
527Q92.3Very high93.2Very high119 Ų11947.6 Ų47.656%0.55624%0.237SC*.THydrogen-bonded Turntrans-94.60.9-179.8-58.3177.4-52.300113G525 Q529 Y635 E638G525-Q527 VanDerWaalsContact C-N 3.3Å; G525-Q527 PolarHBondContact O-N 3.01Å; Q527-Q529 PolarHBondContact O-N 3.41Å; Q527-Y635 HydrophobicContact CG-CD1 4.35Å; Q527-E638 HydrophobicContact CB-CB 4.4Å; Q527-E638 VanDerWaalsContact CD-OE2 3.27Å; Q527-E638 WeakPolarHBondContact CG-OE1 3.44Å; Q527-E638 WeakPolarHBondContact CG-OE2 3.49Å; Q527-E638 VanDerWaalsContact NE2-CD 3.25Å; Q527-E638 PolarHBondContact NE2-OE1 3.16Å; Q527-E638 PolarHBondContact NE2-OE2 2.71Å
528H93.8Very high93Very high63 Ų6353.4 Ų53.429%0.29226%0.264SS..  trans-77.6115.9-170.1179.379.4000112.6G525 G530 I531 I564 N565G525-H528 PolarHBondContact O-N 2.89Å; H528-G530 PolarHBondContact O-N 3.01Å; H528-I531 WeakPolarHBondContact O-CB 3.34Å; H528-I531 PolarHBondContact O-N 2.99Å; H528-I531 VanDerWaalsContact O-N 3.13Å; H528-I564 HydrophobicContact CB-CG2 4.14Å; H528-I564 VanDerWaalsContact CD2-CG2 3.47Å; H528-I564 WeakPolarHBondContact CD2-CG2 3.18Å; H528-I564 VanDerWaalsContact CG-CG2 3.41Å; H528-N565 PolarHBondContact NE2-ND2 3.19Å; H528-N565 PolarHBondContact NE2-OD1 3.04Å
529Q95.1Very high92.8Very high130 Ų13059.8 Ų59.861%0.60730%0.298SS*.THydrogen-bonded Turntrans-59.3121.1-172.3-162.6-175.142.900113.2Q527 I531 M640Q527-Q529 PolarHBondContact O-N 3.41Å; Q529-I531 VanDerWaalsContact C-N 3.35Å; Q529-M640 HydrophobicContact CG-CB 4.36Å; Q529-M640 HydrophobicContact CG-CG 3.78Å
530G93.4Very high92.8Very high9 Ų959.6 Ų59.69%0.09330%0.299CS..THydrogen-bonded Turntrans74.421178.200000114.4H528 R533 V534 N639H528-G530 PolarHBondContact O-N 3.01Å; G530-R533 CarbonylContact O-C 3.58Å; G530-R533 WeakPolarHBondContact O-CA 3.25Å; G530-R533 WeakPolarHBondContact O-CB 3.28Å; G530-R533 PolarHBondContact O-N 2.74Å; G530-V534 PolarHBondContact O-N 3.11Å; G530-N639 PolarHBondContact N-O 2.92Å
531I95.5Very high92.8Very high0 Ų059.1 Ų59.10%030%0.297CS..THydrogen-bonded Turntrans-47139.9172.1-16963.1000111.6I521 H528 Q529 R533 I564 A568 L632 N639 M641I521-I531 HydrophobicContact CG2-CD1 4.42Å; I521-I531 HydrophobicContact CG2-CG1 4.16Å; H528-I531 WeakPolarHBondContact O-CB 3.34Å; H528-I531 PolarHBondContact O-N 2.99Å; H528-I531 VanDerWaalsContact O-N 3.13Å; Q529-I531 VanDerWaalsContact C-N 3.35Å; I531-R533 PolarHBondContact O-N 2.77Å; I531-I564 HydrophobicContact CD1-CG1 3.91Å; I531-I564 HydrophobicContact CD1-CG2 4.39Å; I531-A568 HydrophobicContact CD1-CB 3.65Å; I531-A568 HydrophobicContact CG1-CB 4.35Å; I531-L632 HydrophobicContact CG2-CD1 4.16Å; I531-L632 HydrophobicContact CG2-CD2 4.15Å; I531-L632 HydrophobicContact CG2-CG 4.43Å; I531-N639 HydrophobicContact CG2-CB 4.41Å; I531-M641 HydrophobicContact CG2-CB 4.44Å; I531-M641 HydrophobicContact CG2-CG 4.05Å; I531-M641 WeakPolarHBondContact O-CE 3.41Å; I531-M641 WeakPolarHBondContact O-CG 3.49Å
532F96.9Very high92.8Very high2 Ų262.5 Ų62.51%0.00932%0.316CS..THydrogen-bonded Turntrans59.9-20.7-167.7-60.2-74.5000117.8I521 A568 L571 K572 F628 L632 L646 C649 F650I521-F532 HydrophobicContact CD1-CE1 4.17Å; I521-F532 HydrophobicContact CD1-CE2 4.32Å; I521-F532 HydrophobicContact CD1-CZ 3.57Å; I521-F532 HydrophobicContact CG2-CE2 4.47Å; F532-A568 HydrophobicContact CD1-CB 3.64Å; F532-A568 HydrophobicContact CE1-CB 3.57Å; F532-A568 WeakPolarHBondContact CE1-O 3.45Å; F532-A568 HydrophobicContact CG-CB 4.19Å; F532-A568 HydrophobicContact CZ-CB 4.08Å; F532-L571 HydrophobicContact CE1-CB 4.32Å; F532-L571 HydrophobicContact CE1-CD2 3.94Å; F532-L571 HydrophobicContact CZ-CD2 3.82Å; F532-K572 HydrophobicContact CB-CD 4.39Å; F532-K572 HydrophobicContact CD1-CD 3.91Å; F532-K572 HydrophobicContact CD1-CG 3.84Å; F532-K572 HydrophobicContact CE1-CG 4.36Å; F532-K572 PolarHBondContact O-NZ 3.32Å; F532-F628 AromaticContact CE2-CE1 3.99Å; F532-F628 HydrophobicContact CE2-CE1 3.99Å; F532-F628 HydrophobicContact CE2-CZ 4.16Å; F532-F628 AromaticContact CZ-CE1 3.95Å; F532-F628 HydrophobicContact CZ-CE1 3.95Å; F532-F628 HydrophobicContact CZ-CZ 4.3Å; F532-L632 HydrophobicContact CD2-CD2 3.71Å; F532-L632 HydrophobicContact CE2-CD2 3.51Å; F532-L646 HydrophobicContact CD2-CD2 4.18Å; F532-C649 HydrophobicContact CB-CB 4.31Å; F532-F650 HydrophobicContact CB-CE2 4.14Å; F532-F650 AromaticContact CD1-CE2 3.67Å; F532-F650 HydrophobicContact CD1-CE2 3.67Å; F532-F650 AromaticContact CD1-CZ 3.6Å; F532-F650 HydrophobicContact CD1-CZ 3.6Å; F532-F650 AromaticContact CD2-CE2 3.96Å; F532-F650 HydrophobicContact CD2-CE2 3.96Å; F532-F650 HydrophobicContact CD2-CZ 4.44Å; F532-F650 HydrophobicContact CE1-CE2 4.03Å; F532-F650 AromaticContact CE1-CZ 3.57Å; F532-F650 HydrophobicContact CE1-CZ 3.57Å; F532-F650 HydrophobicContact CE2-CE2 4.29Å; F532-F650 HydrophobicContact CE2-CZ 4.42Å; F532-F650 AromaticContact CG-CE2 3.64Å; F532-F650 HydrophobicContact CG-CE2 3.64Å; F532-F650 HydrophobicContact CG-CZ 4.06Å; F532-F650 HydrophobicContact CZ-CE2 4.32Å; F532-F650 HydrophobicContact CZ-CZ 4.01Å
533R95.4Very high92.8Very high161 Ų16166.5 Ų66.561%0.60834%0.337SS*.THydrogen-bonded Turntrans-86.6-39.5174.9176.9178.1173.8-175.9-2.1112.5G530 I531 M641G530-R533 CarbonylContact O-C 3.58Å; G530-R533 WeakPolarHBondContact O-CA 3.25Å; G530-R533 WeakPolarHBondContact O-CB 3.28Å; G530-R533 PolarHBondContact O-N 2.74Å; I531-R533 PolarHBondContact O-N 2.77Å; R533-M641 HydrophobicContact CB-CE 3.81Å; R533-M641 HydrophobicContact CB-SD 3.57Å; R533-M641 VanDerWaalsContact CB-SD 3.57Å; R533-M641 HydrophobicContact CG-SD 4.43Å
534V93.5Very high93Very high69 Ų6963.3 Ų63.342%0.41832%0.32SS..SBendtrans-74.3146.6169.8179.60000109.3G530 N565G530-V534 PolarHBondContact O-N 3.11Å; V534-N565 HydrophobicContact CG1-CB 4.38Å
535S90.3Very high93.1Very high96 Ų9659.1 Ų59.167%0.67130%0.304SS*.PPolyproline II helixtrans-98.9122.5176.7-67.50000110.4
536G89.5Confident93.1Very high7 Ų761.6 Ų61.67%0.07232%0.318CS..PPolyproline II helixtrans-69.817417000000114.4Q538 N565G536-Q538 PolarHBondContact O-N 2.95Å; G536-Q538 PolarHBondContact O-NE2 2.84Å; G536-N565 PolarHBondContact N-O 3.41Å
537S93.8Very high92.8Very high56 Ų5661.5 Ų61.539%0.39232%0.319SS..PPolyproline II helixtrans-58.8120.9-179.8176.30000111.2L539 E540 V541 S566S537-L539 PolarHBondContact O-N 3.28Å; S537-E540 WeakPolarHBondContact CB-OE2 3.36Å; S537-E540 PolarHBondContact O-N 2.87Å; S537-V541 WeakPolarHBondContact O-CB 3.47Å; S537-V541 VanDerWaalsContact O-CG2 3.24Å; S537-V541 WeakPolarHBondContact O-CG2 3.36Å; S537-V541 PolarHBondContact O-N 2.94Å; S537-S566 PolarHBondContact N-OG 3.34Å
538Q92.3Very high92.7Very high122 Ų12256.3 Ų56.357%0.5729%0.294SS*.Hα-helixtrans-68.5-17.8-177.9-62.2-58.5-78.900113.3G536 N542G536-Q538 PolarHBondContact O-N 2.95Å; G536-Q538 PolarHBondContact O-NE2 2.84Å; Q538-N542 PolarHBondContact O-ND2 2.89Å
539L91.1Very high92.3Very high135 Ų13557.2 Ų57.271%0.70730%0.298SS*.Hα-helixtrans-73.5-55171.3-64.4173.8000109.8S537 V541 N542 D543S537-L539 PolarHBondContact O-N 3.28Å; L539-V541 PolarHBondContact O-N 3.31Å; L539-N542 CarbonylContact O-C 3.57Å; L539-N542 WeakPolarHBondContact O-CA 3.47Å; L539-N542 WeakPolarHBondContact O-CB 3.27Å; L539-N542 PolarHBondContact O-N 2.93Å; L539-D543 PolarHBondContact O-N 3.14Å
540E93.2Very high91.8Very high48 Ų4857.9 Ų57.922%0.22430%0.296CS..Hα-helixtrans-60.7-42.3-179.4-171.2-179.8-163.800113S537 N542 D543 I544 D563 S566S537-E540 WeakPolarHBondContact CB-OE2 3.36Å; S537-E540 PolarHBondContact O-N 2.87Å; E540-N542 PolarHBondContact O-N 2.79Å; E540-D543 PolarHBondContact O-N 2.98Å; E540-D543 VanDerWaalsContact O-N 3.12Å; E540-I544 HydrophobicContact CG-CD1 3.94Å; E540-I544 HydrophobicContact CG-CG1 4.49Å; E540-I544 WeakPolarHBondContact O-CB 3.46Å; E540-I544 VanDerWaalsContact O-CG1 3.31Å; E540-I544 WeakPolarHBondContact O-CG1 3.44Å; E540-I544 PolarHBondContact O-N 3.2Å; E540-D563 PolarHBondContact OE1-N 2.99Å; E540-D563 WeakPolarHBondContact OE2-CB 3.48Å; E540-S566 VanDerWaalsContact CD-OG 3.31Å; E540-S566 VanDerWaalsContact OE2-CB 3.27Å; E540-S566 WeakPolarHBondContact OE2-CB 3.34Å; E540-S566 PolarHBondContact OE2-OG 2.94Å
541V93.6Very high91.2Very high4 Ų460.6 Ų60.62%0.02432%0.324CS..Hα-helixtrans-55.5-40171.2169.40000111.3S537 L539 K545 S566 V570 L573S537-V541 WeakPolarHBondContact O-CB 3.47Å; S537-V541 VanDerWaalsContact O-CG2 3.24Å; S537-V541 WeakPolarHBondContact O-CG2 3.36Å; S537-V541 PolarHBondContact O-N 2.94Å; L539-V541 PolarHBondContact O-N 3.31Å; V541-K545 WeakPolarHBondContact O-CB 3.49Å; V541-K545 PolarHBondContact O-N 3.31Å; V541-S566 WeakPolarHBondContact CG2-O 3.48Å; V541-V570 HydrophobicContact CB-CG2 4.32Å; V541-V570 HydrophobicContact CG1-CG2 4.03Å; V541-V570 WeakPolarHBondContact O-CG2 3.34Å; V541-L573 HydrophobicContact CG1-CD2 3.73Å
542N92.7Very high90.7Very high72 Ų7265.3 Ų65.339%0.38535%0.349SS..Hα-helixtrans-74.5-38.6176-81.9-65.3000111.9Q538 L539 E540 K545 N546Q538-N542 PolarHBondContact O-ND2 2.89Å; L539-N542 CarbonylContact O-C 3.57Å; L539-N542 WeakPolarHBondContact O-CA 3.47Å; L539-N542 WeakPolarHBondContact O-CB 3.27Å; L539-N542 PolarHBondContact O-N 2.93Å; E540-N542 PolarHBondContact O-N 2.79Å; N542-K545 WeakPolarHBondContact O-CB 3.46Å; N542-K545 PolarHBondContact O-N 3.49Å; N542-N546 WeakPolarHBondContact O-CB 3.27Å; N542-N546 PolarHBondContact O-N 3.33Å; N542-N546 PolarHBondContact O-ND2 3Å; N542-N546 PolarHBondContact O-OD1 2.87Å
543D92.1Very high90.2Very high97 Ų9766.2 Ų66.252%0.51935%0.354SS..Hα-helixtrans-69.7-40.8-179.1-72.9-40.4000113L539 E540 N546 S547L539-D543 PolarHBondContact O-N 3.14Å; E540-D543 PolarHBondContact O-N 2.98Å; E540-D543 VanDerWaalsContact O-N 3.12Å; D543-N546 PolarHBondContact O-N 2.98Å; D543-S547 PolarHBondContact O-N 3.47Å
544I93.4Very high89.8Confident3 Ų359.4 Ų59.42%0.01533%0.33CS..Hα-helixtrans-60.8-50.5170.7-65.4167.6000109.8E540 N546 S547 F548 P554 H562 V567 V570E540-I544 HydrophobicContact CG-CD1 3.94Å; E540-I544 HydrophobicContact CG-CG1 4.49Å; E540-I544 WeakPolarHBondContact O-CB 3.46Å; E540-I544 VanDerWaalsContact O-CG1 3.31Å; E540-I544 WeakPolarHBondContact O-CG1 3.44Å; E540-I544 PolarHBondContact O-N 3.2Å; I544-N546 VanDerWaalsContact C-N 3.33Å; I544-N546 PolarHBondContact O-N 2.61Å; I544-S547 WeakPolarHBondContact O-CB 3.44Å; I544-S547 PolarHBondContact O-N 2.73Å; I544-S547 VanDerWaalsContact O-N 3.1Å; I544-F548 HydrophobicContact CG2-CD2 3.88Å; I544-F548 HydrophobicContact CG2-CE2 3.7Å; I544-F548 WeakPolarHBondContact O-CD2 3.45Å; I544-F548 PolarHBondContact O-N 3.33Å; I544-F548 VanDerWaalsContact O-N 3.07Å; I544-P554 HydrophobicContact CB-CG 4.43Å; I544-P554 HydrophobicContact CG2-CG 3.83Å; I544-H562 HydrophobicContact CD1-CB 4.15Å; I544-V567 HydrophobicContact CD1-CG2 4.18Å; I544-V570 HydrophobicContact CB-CG2 3.86Å; I544-V570 HydrophobicContact CD1-CG2 4.46Å; I544-V570 HydrophobicContact CG2-CB 4.35Å; I544-V570 HydrophobicContact CG2-CG1 4.12Å; I544-V570 HydrophobicContact CG2-CG2 3.73Å
545K92.4Very high89.5Confident29 Ų2956.2 Ų56.213%0.12631%0.311CS..Hα-helixtrans-52.5-50.1173.5163.6-179.4178.3-66.10111.6F495 V541 N542 S547 F548 E549 L573F495-K545 HydrophobicContact CD1-CD 4.09Å; F495-K545 HydrophobicContact CD1-CG 4.17Å; F495-K545 HydrophobicContact CD2-CG 3.94Å; F495-K545 HydrophobicContact CE1-CB 4.35Å; F495-K545 HydrophobicContact CE1-CD 4.2Å; F495-K545 HydrophobicContact CE1-CG 3.99Å; F495-K545 HydrophobicContact CE2-CB 4.25Å; F495-K545 HydrophobicContact CE2-CG 3.76Å; F495-K545 HydrophobicContact CG-CD 4.28Å; F495-K545 HydrophobicContact CG-CG 4.15Å; F495-K545 HydrophobicContact CZ-CB 3.96Å; F495-K545 HydrophobicContact CZ-CD 4.49Å; F495-K545 HydrophobicContact CZ-CG 3.79Å; V541-K545 WeakPolarHBondContact O-CB 3.49Å; V541-K545 PolarHBondContact O-N 3.31Å; N542-K545 WeakPolarHBondContact O-CB 3.46Å; N542-K545 PolarHBondContact O-N 3.49Å; K545-S547 PolarHBondContact O-N 2.84Å; K545-F548 PolarHBondContact O-N 2.83Å; K545-E549 WeakPolarHBondContact CE-OE1 3.41Å; K545-E549 IonicContact NZ-OE1 3.76Å; K545-E549 PolarHBondContact NZ-OE1 2.99Å; K545-E549 IonicContact NZ-OE2 2.96Å; K545-E549 PolarHBondContact NZ-OE2 3.38Å; K545-E549 PolarHBondContact O-N 3.34Å; K545-L573 HydrophobicContact CD-CD2 3.92Å
546N90.6Very high88.9Confident52 Ų5254.2 Ų54.228%0.27830%0.295SS..Hα-helixtrans-66.5-25.7-177.2-68.5-25.3000111.3N542 D543 I544 E549 R550N542-N546 WeakPolarHBondContact O-CB 3.27Å; N542-N546 PolarHBondContact O-N 3.33Å; N542-N546 PolarHBondContact O-ND2 3Å; N542-N546 PolarHBondContact O-OD1 2.87Å; D543-N546 PolarHBondContact O-N 2.98Å; I544-N546 VanDerWaalsContact C-N 3.33Å; I544-N546 PolarHBondContact O-N 2.61Å; N546-E549 PolarHBondContact OD1-OE2 3.46Å; N546-R550 VanDerWaalsContact O-CG 3.26Å; N546-R550 WeakPolarHBondContact O-CG 3.44Å; N546-R550 PolarHBondContact O-N 3.25Å; N546-R550 PolarHBondContact O-NE 2.96Å; N546-R550 PolarHBondContact O-NH1 3.4Å
547S87.8Confident87.7Confident18 Ų1859.2 Ų59.213%0.12632%0.32CS..Hα-helixtrans-71.7-46.6171.6-1280000112D543 I544 K545 E549 R550 G551 N552D543-S547 PolarHBondContact O-N 3.47Å; I544-S547 WeakPolarHBondContact O-CB 3.44Å; I544-S547 PolarHBondContact O-N 2.73Å; I544-S547 VanDerWaalsContact O-N 3.1Å; K545-S547 PolarHBondContact O-N 2.84Å; S547-E549 VanDerWaalsContact C-N 3.33Å; S547-E549 PolarHBondContact O-N 2.92Å; S547-R550 WeakPolarHBondContact O-CB 3.46Å; S547-R550 PolarHBondContact O-N 3.24Å; S547-R550 PolarHBondContact OG-NH2 2.82Å; S547-G551 PolarHBondContact O-N 3.21Å; S547-N552 CarbonylContact C-O 3.5Å; S547-N552 PolarHBondContact O-N 3.39Å; S547-N552 VanDerWaalsContact O-N 3.09Å; S547-N552 VanDerWaalsContact O-O 3.11Å
548F90.4Very high86Confident9 Ų962 Ų624%0.03933%0.33CS..Hα-helixtrans-58.8-40.5172.3-78.5-64.4000112.6L494 F495 V513 I544 K545 R550 G551 N552 D553 P554 L555L494-F548 HydrophobicContact CD2-CB 3.68Å; F495-F548 HydrophobicContact CE2-CB 4.15Å; V513-F548 HydrophobicContact CB-CD1 3.93Å; V513-F548 HydrophobicContact CB-CD2 4.24Å; V513-F548 HydrophobicContact CB-CE1 4.11Å; V513-F548 HydrophobicContact CB-CE2 4.42Å; V513-F548 HydrophobicContact CB-CG 4Å; V513-F548 HydrophobicContact CB-CZ 4.36Å; V513-F548 HydrophobicContact CG2-CB 4.49Å; V513-F548 HydrophobicContact CG2-CD1 4.29Å; V513-F548 HydrophobicContact CG2-CD2 3.69Å; V513-F548 HydrophobicContact CG2-CE1 4.43Å; V513-F548 HydrophobicContact CG2-CE2 3.86Å; V513-F548 HydrophobicContact CG2-CG 3.93Å; V513-F548 HydrophobicContact CG2-CZ 4.23Å; I544-F548 HydrophobicContact CG2-CD2 3.88Å; I544-F548 HydrophobicContact CG2-CE2 3.7Å; I544-F548 WeakPolarHBondContact O-CD2 3.45Å; I544-F548 PolarHBondContact O-N 3.33Å; I544-F548 VanDerWaalsContact O-N 3.07Å; K545-F548 PolarHBondContact O-N 2.83Å; F548-R550 VanDerWaalsContact C-N 3.28Å; F548-R550 PolarHBondContact O-N 3.34Å; F548-G551 PolarHBondContact O-N 2.93Å; F548-N552 VanDerWaalsContact CA-O 3.26Å; F548-N552 WeakPolarHBondContact CA-O 3.49Å; F548-N552 PolarHBondContact N-O 3.48Å; F548-D553 HydrophobicContact CE1-CB 4.1Å; F548-D553 VanDerWaalsContact CE1-OD1 3.24Å; F548-D553 WeakPolarHBondContact CE1-OD1 3.48Å; F548-D553 VanDerWaalsContact CZ-OD1 3.31Å; F548-D553 WeakPolarHBondContact CZ-OD1 3.34Å; F548-P554 HydrophobicContact CD2-CG 4.18Å; F548-P554 HydrophobicContact CE2-CG 3.92Å; F548-P554 HydrophobicContact CZ-CG 4.3Å; F548-L555 HydrophobicContact CE2-CD1 4.16Å; F548-L555 HydrophobicContact CE2-CG 4.38Å; F548-L555 HydrophobicContact CZ-CD1 4.04Å; F548-L555 HydrophobicContact CZ-CG 4.2Å
549E85.9Confident83.9Confident82 Ų8263.8 Ų63.838%0.38334%0.338SS..Hα-helixtrans-67.5-22.1174.2-74.9179.5150.900114.2F495 K545 N546 S547 G551F495-E549 HydrophobicContact CD2-CG 3.71Å; F495-E549 HydrophobicContact CE2-CG 4.34Å; K545-E549 WeakPolarHBondContact CE-OE1 3.41Å; K545-E549 IonicContact NZ-OE1 3.76Å; K545-E549 PolarHBondContact NZ-OE1 2.99Å; K545-E549 IonicContact NZ-OE2 2.96Å; K545-E549 PolarHBondContact NZ-OE2 3.38Å; K545-E549 PolarHBondContact O-N 3.34Å; N546-E549 PolarHBondContact OD1-OE2 3.46Å; S547-E549 VanDerWaalsContact C-N 3.33Å; S547-E549 PolarHBondContact O-N 2.92Å; E549-G551 VanDerWaalsContact C-N 3.26Å
550R83.5Confident82.2Confident145 Ų14561.8 Ų61.855%0.54733%0.329SS..THydrogen-bonded Turntrans-79.4-8170.5-72176.9-61-109.86.8113N546 S547 F548N546-R550 VanDerWaalsContact O-CG 3.26Å; N546-R550 WeakPolarHBondContact O-CG 3.44Å; N546-R550 PolarHBondContact O-N 3.25Å; N546-R550 PolarHBondContact O-NE 2.96Å; N546-R550 PolarHBondContact O-NH1 3.4Å; S547-R550 WeakPolarHBondContact O-CB 3.46Å; S547-R550 PolarHBondContact O-N 3.24Å; S547-R550 PolarHBondContact OG-NH2 2.82Å; F548-R550 VanDerWaalsContact C-N 3.28Å; F548-R550 PolarHBondContact O-N 3.34Å
551G81.3Confident81Confident66 Ų6666.8 Ų66.868%0.6836%0.357SS*.THydrogen-bonded Turntrans83.912.5-173.800000114.3S547 F548 E549S547-G551 PolarHBondContact O-N 3.21Å; F548-G551 PolarHBondContact O-N 2.93Å; E549-G551 VanDerWaalsContact C-N 3.26Å
552N84Confident80.6Confident98 Ų9868.1 Ų68.152%0.52436%0.363SS..  trans-93.6151.9170.2-66.7-3.1000109.4S547 F548S547-N552 CarbonylContact C-O 3.5Å; S547-N552 PolarHBondContact O-N 3.39Å; S547-N552 VanDerWaalsContact O-N 3.09Å; S547-N552 VanDerWaalsContact O-O 3.11Å; F548-N552 VanDerWaalsContact CA-O 3.26Å; F548-N552 WeakPolarHBondContact CA-O 3.49Å; F548-N552 PolarHBondContact N-O 3.48Å
553D87.6Confident80.6Confident22 Ų2267.3 Ų67.312%0.11836%0.358CS..  trans-110.2102.8171.2-175.6-4.7000108.2R512 S516 F548 L555 T556R512-D553 IonicContact CZ-OD2 2.75Å; R512-D553 VanDerWaalsContact CZ-OD2 3.28Å; R512-D553 IonicContact NE-OD2 3.14Å; R512-D553 PolarHBondContact NE-OD2 3.26Å; R512-D553 IonicContact NH2-OD2 2.72Å; R512-D553 PolarHBondContact NH2-OD2 3.32Å; S516-D553 WeakPolarHBondContact CB-OD1 3.47Å; S516-D553 WeakPolarHBondContact CB-OD2 3.3Å; S516-D553 PolarHBondContact OG-OD1 3.49Å; S516-D553 PolarHBondContact OG-OD2 3.3Å; F548-D553 HydrophobicContact CE1-CB 4.1Å; F548-D553 VanDerWaalsContact CE1-OD1 3.24Å; F548-D553 WeakPolarHBondContact CE1-OD1 3.48Å; F548-D553 VanDerWaalsContact CZ-OD1 3.31Å; F548-D553 WeakPolarHBondContact CZ-OD1 3.34Å; D553-L555 PolarHBondContact O-N 2.93Å; D553-L555 PolarHBondContact OD1-N 2.88Å; D553-T556 HydrophobicContact CB-CG2 3.89Å; D553-T556 PolarHBondContact O-OG1 2.87Å; D553-T556 VanDerWaalsContact OD2-CG2 3.31Å; D553-T556 WeakPolarHBondContact OD2-CG2 2.93Å
554P86.2Confident80.7Confident18 Ų1863.4 Ų63.412%0.11734%0.338CS..THydrogen-bonded Turntrans-75.10.1-17633.2-36.2000113.2I544 F548 H562I544-P554 HydrophobicContact CB-CG 4.43Å; I544-P554 HydrophobicContact CG2-CG 3.83Å; F548-P554 HydrophobicContact CD2-CG 4.18Å; F548-P554 HydrophobicContact CE2-CG 3.92Å; F548-P554 HydrophobicContact CZ-CG 4.3Å; P554-H562 PolarHBondContact O-NE2 3.21Å
555L88Confident80.8Confident2 Ų264 Ų641%0.0134%0.34CS..THydrogen-bonded Turntrans-110.98.1-175.7-52.9180000112.9C517 R519 Y520 F548 D553 H562 V567C517-L555 HydrophobicContact CB-CD1 4.37Å; R519-L555 PolarHBondContact NH1-O 2.87Å; R519-L555 PolarHBondContact NH2-O 2.67Å; Y520-L555 HydrophobicContact CD2-CB 4.1Å; Y520-L555 HydrophobicContact CD2-CD2 4.12Å; Y520-L555 HydrophobicContact CE2-CD2 4.31Å; Y520-L555 HydrophobicContact CG-CD2 4.38Å; F548-L555 HydrophobicContact CE2-CD1 4.16Å; F548-L555 HydrophobicContact CE2-CG 4.38Å; F548-L555 HydrophobicContact CZ-CD1 4.04Å; F548-L555 HydrophobicContact CZ-CG 4.2Å; D553-L555 PolarHBondContact O-N 2.93Å; D553-L555 PolarHBondContact OD1-N 2.88Å; L555-H562 HydrophobicContact CD2-CB 4.41Å; L555-V567 HydrophobicContact CD1-CG1 3.81Å; L555-V567 HydrophobicContact CD1-CG2 4.46Å; L555-V567 HydrophobicContact CD2-CG2 3.93Å
556T78.4Confident81Confident54 Ų5462.6 Ų62.633%0.33133%0.334SS..SBendtrans-79.6-22.1178.546.90000114.7D553D553-T556 HydrophobicContact CB-CG2 3.89Å; D553-T556 PolarHBondContact O-OG1 2.87Å; D553-T556 VanDerWaalsContact OD2-CG2 3.31Å; D553-T556 WeakPolarHBondContact OD2-CG2 2.93Å
557D64Low81.3Confident112 Ų11260.1 Ų60.160%0.59932%0.321SS*.SBendtrans-114.1113-164.1-58.64.2000108.1E559 D560D557-E559 PolarHBondContact O-N 3.05Å; D557-D560 PolarHBondContact O-N 3.41Å
558D57.1Low81.7Confident114 Ų11459.2 Ų59.261%0.6132%0.315SS*.THydrogen-bonded Turntrans-69.28.2-169.1-55.6-36.4000114.9Y524Y524-D558 PolarHBondContact OH-OD1 3.34Å
559E47.9Very low82Confident159 Ų15959.4 Ų59.474%0.74332%0.319SS*.THydrogen-bonded Turntrans-90-29.1176.4-62.4-170.3170.600112.5D557 N561D557-E559 PolarHBondContact O-N 3.05Å; E559-N561 PolarHBondContact O-N 3.06Å; E559-N561 PolarHBondContact O-ND2 3.04Å
560D57.1Low82.6Confident94 Ų9455.5 Ų55.550%0.50330%0.301SS..  trans-81.697.8178.1-87.2-11.1000110.9Y520 D557 H562Y520-D560 PolarHBondContact OH-O 3.43Å; D557-D560 PolarHBondContact O-N 3.41Å; D560-H562 VanDerWaalsContact C-N 3.27Å; D560-H562 VanDerWaalsContact CB-NE2 3.33Å; D560-H562 WeakPolarHBondContact CB-NE2 3.3Å; D560-H562 PolarHBondContact O-CD2 3.48Å; D560-H562 VanDerWaalsContact O-CD2 3.23Å; D560-H562 PolarHBondContact O-N 2.93Å; D560-H562 IonicContact OD2-NE2 2.7Å
561N67.4Low83.2Confident153 Ų15348.6 Ų48.682%0.81828%0.275SS*.  trans-7670.7174.8-76.9-96.9000111.8E559E559-N561 PolarHBondContact O-N 3.06Å; E559-N561 PolarHBondContact O-ND2 3.04Å
562H85.6Confident83.9Confident31 Ų3147.2 Ų47.214%0.14425%0.25CS..  trans-64.7141.2171.2-59.1-85.3000111.2Y520 I544 P554 L555 D560 I564 V567Y520-H562 PolarHBondContact OH-N 2.93Å; Y520-H562 PolarHBondContact OH-O 2.87Å; I544-H562 HydrophobicContact CD1-CB 4.15Å; P554-H562 PolarHBondContact O-NE2 3.21Å; L555-H562 HydrophobicContact CD2-CB 4.41Å; D560-H562 VanDerWaalsContact C-N 3.27Å; D560-H562 VanDerWaalsContact CB-NE2 3.33Å; D560-H562 WeakPolarHBondContact CB-NE2 3.3Å; D560-H562 PolarHBondContact O-CD2 3.48Å; D560-H562 VanDerWaalsContact O-CD2 3.23Å; D560-H562 PolarHBondContact O-N 2.93Å; D560-H562 IonicContact OD2-NE2 2.7Å; H562-I564 PolarHBondContact O-N 3.33Å; H562-V567 HydrophobicContact CB-CG2 3.88Å
563D92Very high84.4Confident55 Ų5545.2 Ų45.229%0.29424%0.239SC..  trans-61.2129.7174.1171.557.7000111.1E540 N565 S566 V567E540-D563 PolarHBondContact OE1-N 2.99Å; E540-D563 WeakPolarHBondContact OE2-CB 3.48Å; D563-N565 PolarHBondContact O-N 2.82Å; D563-N565 PolarHBondContact OD1-ND2 3.19Å; D563-N565 WeakPolarHBondContact OD2-CA 3.48Å; D563-N565 WeakPolarHBondContact OD2-CB 3.48Å; D563-N565 PolarHBondContact OD2-N 2.9Å; D563-N565 VanDerWaalsContact OD2-N 3.1Å; D563-N565 PolarHBondContact OD2-ND2 2.92Å; D563-S566 WeakPolarHBondContact O-CA 3.34Å; D563-S566 VanDerWaalsContact O-CB 3.31Å; D563-S566 WeakPolarHBondContact O-CB 3.27Å; D563-S566 PolarHBondContact O-N 3.43Å; D563-S566 PolarHBondContact OD2-N 3.1Å; D563-S566 PolarHBondContact OD2-OG 3.36Å; D563-V567 PolarHBondContact O-N 2.82Å
564I94.3Very high84.8Confident16 Ų1644.2 Ų44.28%0.08223%0.234CC..Hα-helixtrans-66.1-28.5-175.6-160.564.2000112.3Y520 I521 H528 I531 H562 A568Y520-I564 HydrophobicContact CD1-CD1 3.72Å; Y520-I564 HydrophobicContact CE1-CD1 3.84Å; I521-I564 HydrophobicContact CB-CD1 4.48Å; I521-I564 HydrophobicContact CG1-CD1 4.01Å; H528-I564 HydrophobicContact CB-CG2 4.14Å; H528-I564 VanDerWaalsContact CD2-CG2 3.47Å; H528-I564 WeakPolarHBondContact CD2-CG2 3.18Å; H528-I564 VanDerWaalsContact CG-CG2 3.41Å; I531-I564 HydrophobicContact CD1-CG1 3.91Å; I531-I564 HydrophobicContact CD1-CG2 4.39Å; H562-I564 PolarHBondContact O-N 3.33Å; I564-A568 VanDerWaalsContact O-CB 3.25Å; I564-A568 WeakPolarHBondContact O-CB 3.47Å; I564-A568 PolarHBondContact O-N 3.28Å
565N96.1Very high85.3Confident14 Ų1443.4 Ų43.48%0.07523%0.229CC..Hα-helixtrans-75.4-29.7173.8-40.7-93.5000111.5H528 V534 G536 D563 G569H528-N565 PolarHBondContact NE2-ND2 3.19Å; H528-N565 PolarHBondContact NE2-OD1 3.04Å; V534-N565 HydrophobicContact CG1-CB 4.38Å; G536-N565 PolarHBondContact N-O 3.41Å; D563-N565 PolarHBondContact O-N 2.82Å; D563-N565 PolarHBondContact OD1-ND2 3.19Å; D563-N565 WeakPolarHBondContact OD2-CA 3.48Å; D563-N565 WeakPolarHBondContact OD2-CB 3.48Å; D563-N565 PolarHBondContact OD2-N 2.9Å; D563-N565 VanDerWaalsContact OD2-N 3.1Å; D563-N565 PolarHBondContact OD2-ND2 2.92Å; N565-G569 PolarHBondContact O-N 2.87Å
566S96.6Very high85.6Confident0 Ų052.5 Ų52.50%026%0.263CS..Hα-helixtrans-69.7-46.2170.8-67.70000111.1S537 E540 V541 D563 A568 G569 V570S537-S566 PolarHBondContact N-OG 3.34Å; E540-S566 VanDerWaalsContact CD-OG 3.31Å; E540-S566 VanDerWaalsContact OE2-CB 3.27Å; E540-S566 WeakPolarHBondContact OE2-CB 3.34Å; E540-S566 PolarHBondContact OE2-OG 2.94Å; V541-S566 WeakPolarHBondContact CG2-O 3.48Å; D563-S566 WeakPolarHBondContact O-CA 3.34Å; D563-S566 VanDerWaalsContact O-CB 3.31Å; D563-S566 WeakPolarHBondContact O-CB 3.27Å; D563-S566 PolarHBondContact O-N 3.43Å; D563-S566 PolarHBondContact OD2-N 3.1Å; D563-S566 PolarHBondContact OD2-OG 3.36Å; S566-A568 PolarHBondContact O-N 3.41Å; S566-G569 CarbonylContact O-C 3.54Å; S566-G569 VanDerWaalsContact O-CA 3.31Å; S566-G569 WeakPolarHBondContact O-CA 3.32Å; S566-G569 PolarHBondContact O-N 2.68Å; S566-V570 WeakPolarHBondContact O-CG2 3.36Å; S566-V570 PolarHBondContact O-N 2.98Å
567V96.3Very high86.1Confident0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-60.7-44.5173.9179.60000111.4C517 Y520 I521 I544 L555 H562 D563 G569 V570 L571C517-V567 HydrophobicContact CB-CG1 3.98Å; Y520-V567 HydrophobicContact CD1-CB 4.2Å; Y520-V567 HydrophobicContact CD1-CG1 3.98Å; Y520-V567 HydrophobicContact CD1-CG2 3.83Å; Y520-V567 HydrophobicContact CE1-CG2 3.83Å; Y520-V567 HydrophobicContact CG-CG1 4.42Å; I521-V567 HydrophobicContact CD1-CG1 4.18Å; I521-V567 HydrophobicContact CG1-CG1 4.01Å; I544-V567 HydrophobicContact CD1-CG2 4.18Å; L555-V567 HydrophobicContact CD1-CG1 3.81Å; L555-V567 HydrophobicContact CD1-CG2 4.46Å; L555-V567 HydrophobicContact CD2-CG2 3.93Å; H562-V567 HydrophobicContact CB-CG2 3.88Å; D563-V567 PolarHBondContact O-N 2.82Å; V567-G569 VanDerWaalsContact C-N 3.26Å; V567-G569 PolarHBondContact O-N 3.41Å; V567-V570 PolarHBondContact O-N 3.35Å; V567-L571 PolarHBondContact O-N 3.45Å; V567-L571 VanDerWaalsContact O-N 3.11Å
568A96.6Very high87.4Confident0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-63.6-30.4171.900000113.2I521 I531 F532 I564 S566 K572I521-A568 HydrophobicContact CD1-CB 3.96Å; I531-A568 HydrophobicContact CD1-CB 3.65Å; I531-A568 HydrophobicContact CG1-CB 4.35Å; F532-A568 HydrophobicContact CD1-CB 3.64Å; F532-A568 HydrophobicContact CE1-CB 3.57Å; F532-A568 WeakPolarHBondContact CE1-O 3.45Å; F532-A568 HydrophobicContact CG-CB 4.19Å; F532-A568 HydrophobicContact CZ-CB 4.08Å; I564-A568 VanDerWaalsContact O-CB 3.25Å; I564-A568 WeakPolarHBondContact O-CB 3.47Å; I564-A568 PolarHBondContact O-N 3.28Å; S566-A568 PolarHBondContact O-N 3.41Å; A568-K572 WeakPolarHBondContact O-CE 3.45Å; A568-K572 PolarHBondContact O-N 3.32Å
569G96.6Very high88.8Confident12 Ų1246.7 Ų46.712%0.12423%0.23CC..Hα-helixtrans-63.9-45.317100000112.3N565 S566 V567 K572 L573N565-G569 PolarHBondContact O-N 2.87Å; S566-G569 CarbonylContact O-C 3.54Å; S566-G569 VanDerWaalsContact O-CA 3.31Å; S566-G569 WeakPolarHBondContact O-CA 3.32Å; S566-G569 PolarHBondContact O-N 2.68Å; V567-G569 VanDerWaalsContact C-N 3.26Å; V567-G569 PolarHBondContact O-N 3.41Å; G569-K572 PolarHBondContact O-N 3.07Å; G569-L573 VanDerWaalsContact O-CB 3.27Å; G569-L573 WeakPolarHBondContact O-CB 3.4Å; G569-L573 PolarHBondContact O-N 3.16Å
570V97.1Very high90.7Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-63.3-44.81781750000111.6F495 V513 V541 I544 S566 V567 K572 L573 Y574F495-V570 HydrophobicContact CZ-CG1 4.06Å; V513-V570 HydrophobicContact CG2-CG1 4.04Å; V541-V570 HydrophobicContact CB-CG2 4.32Å; V541-V570 HydrophobicContact CG1-CG2 4.03Å; V541-V570 WeakPolarHBondContact O-CG2 3.34Å; I544-V570 HydrophobicContact CB-CG2 3.86Å; I544-V570 HydrophobicContact CD1-CG2 4.46Å; I544-V570 HydrophobicContact CG2-CB 4.35Å; I544-V570 HydrophobicContact CG2-CG1 4.12Å; I544-V570 HydrophobicContact CG2-CG2 3.73Å; S566-V570 WeakPolarHBondContact O-CG2 3.36Å; S566-V570 PolarHBondContact O-N 2.98Å; V567-V570 PolarHBondContact O-N 3.35Å; V570-K572 PolarHBondContact O-N 3.5Å; V570-L573 PolarHBondContact O-N 3.26Å; V570-L573 VanDerWaalsContact O-N 3.16Å; V570-Y574 PolarHBondContact O-N 3.46Å
571L97.1Very high92.2Very high0 Ų040.2 Ų40.20%020%0.202CC..Hα-helixtrans-60.7-44.2178.1-173.466000111.8V514 C517 I518 F532 V567 Y574 F575 F628V514-L571 HydrophobicContact CB-CD1 4.36Å; V514-L571 HydrophobicContact CG1-CD1 4.26Å; V514-L571 HydrophobicContact CG2-CD1 4.36Å; C517-L571 HydrophobicContact CB-CB 4.03Å; C517-L571 HydrophobicContact CB-CD1 4.08Å; C517-L571 HydrophobicContact CB-CG 4.48Å; I518-L571 HydrophobicContact CD1-CD2 4.44Å; I518-L571 HydrophobicContact CG1-CD1 4.32Å; I518-L571 HydrophobicContact CG1-CD2 3.8Å; F532-L571 HydrophobicContact CE1-CB 4.32Å; F532-L571 HydrophobicContact CE1-CD2 3.94Å; F532-L571 HydrophobicContact CZ-CD2 3.82Å; V567-L571 PolarHBondContact O-N 3.45Å; V567-L571 VanDerWaalsContact O-N 3.11Å; L571-Y574 PolarHBondContact O-N 2.83Å; L571-F575 HydrophobicContact CD1-CD2 4.38Å; L571-F575 HydrophobicContact CD1-CE2 3.74Å; L571-F575 HydrophobicContact CG-CD2 4.43Å; L571-F575 HydrophobicContact CG-CE2 4.12Å; L571-F575 VanDerWaalsContact O-CD2 3.27Å; L571-F575 WeakPolarHBondContact O-CD2 3.46Å; L571-F575 PolarHBondContact O-N 2.81Å; L571-F628 HydrophobicContact CD2-CE1 4.33Å
572K96.2Very high93.4Very high37 Ų3733.1 Ų33.116%0.16116%0.164CC..Hα-helixtrans-64.4-41.2173.4-72.4-178.9-64.4175.70112.2F532 A568 G569 V570 Y574 F575 R576 F650 T653F532-K572 HydrophobicContact CB-CD 4.39Å; F532-K572 HydrophobicContact CD1-CD 3.91Å; F532-K572 HydrophobicContact CD1-CG 3.84Å; F532-K572 HydrophobicContact CE1-CG 4.36Å; F532-K572 PolarHBondContact O-NZ 3.32Å; A568-K572 WeakPolarHBondContact O-CE 3.45Å; A568-K572 PolarHBondContact O-N 3.32Å; G569-K572 PolarHBondContact O-N 3.07Å; V570-K572 PolarHBondContact O-N 3.5Å; K572-Y574 VanDerWaalsContact C-N 3.31Å; K572-Y574 PolarHBondContact O-N 2.89Å; K572-F575 PolarHBondContact O-N 3.5Å; K572-R576 VanDerWaalsContact O-CB 3.23Å; K572-R576 WeakPolarHBondContact O-CB 2.9Å; K572-R576 PolarHBondContact O-N 2.94Å; K572-F650 HydrophobicContact CG-CE1 4.15Å; K572-F650 HydrophobicContact CG-CZ 4.12Å; K572-T653 HydrophobicContact CB-CG2 4.3Å; K572-T653 WeakPolarHBondContact O-CG2 3.4Å
573L95.1Very high93.7Very high57 Ų5731.8 Ų31.830%0.29816%0.157SC..Hα-helixtrans-64.3-36.1-179.9-17959.2000111.8F495 V541 K545 G569 V570 G577F495-L573 HydrophobicContact CE1-CG 4.42Å; V541-L573 HydrophobicContact CG1-CD2 3.73Å; K545-L573 HydrophobicContact CD-CD2 3.92Å; G569-L573 VanDerWaalsContact O-CB 3.27Å; G569-L573 WeakPolarHBondContact O-CB 3.4Å; G569-L573 PolarHBondContact O-N 3.16Å; V570-L573 PolarHBondContact O-N 3.26Å; V570-L573 VanDerWaalsContact O-N 3.16Å; L573-G577 PolarHBondContact O-N 3.28Å
574Y95.8Very high93.6Very high1 Ų130.8 Ų30.80%0.00415%0.154CC..Hα-helixtrans-59.5-58.4173.9-179.4-101.5000111.4L494 F495 P511 V513 V514 V570 L571 K572 R576 G577 L578L494-Y574 HydrophobicContact CD1-CE2 3.93Å; L494-Y574 HydrophobicContact CG-CE2 4.16Å; L494-Y574 VanDerWaalsContact O-CE2 3.29Å; L494-Y574 WeakPolarHBondContact O-CE2 3.47Å; F495-Y574 HydrophobicContact CD1-CD2 4.11Å; F495-Y574 HydrophobicContact CE1-CD2 4.07Å; F495-Y574 HydrophobicContact CE1-CG 4.48Å; F495-Y574 HydrophobicContact CE2-CD2 4.47Å; F495-Y574 HydrophobicContact CG-CD2 4.34Å; F495-Y574 HydrophobicContact CZ-CD2 4.25Å; P511-Y574 HydrophobicContact CB-CE1 4.46Å; P511-Y574 WeakPolarHBondContact CB-OH 3.21Å; P511-Y574 HydrophobicContact CG-CE1 4.37Å; P511-Y574 WeakPolarHBondContact CG-OH 3.32Å; V513-Y574 HydrophobicContact CG1-CD1 4.32Å; V513-Y574 HydrophobicContact CG1-CD2 3.43Å; V513-Y574 VanDerWaalsContact CG1-CD2 3.43Å; V513-Y574 HydrophobicContact CG1-CE1 4.38Å; V513-Y574 HydrophobicContact CG1-CE2 3.5Å; V513-Y574 VanDerWaalsContact CG1-CE2 3.5Å; V513-Y574 HydrophobicContact CG1-CG 3.86Å; V514-Y574 HydrophobicContact CG2-CD1 3.49Å; V514-Y574 VanDerWaalsContact CG2-CD1 3.49Å; V514-Y574 HydrophobicContact CG2-CE1 3.43Å; V514-Y574 VanDerWaalsContact CG2-CE1 3.43Å; V514-Y574 HydrophobicContact CG2-CG 4.45Å; V570-Y574 PolarHBondContact O-N 3.46Å; L571-Y574 PolarHBondContact O-N 2.83Å; K572-Y574 VanDerWaalsContact C-N 3.31Å; K572-Y574 PolarHBondContact O-N 2.89Å; Y574-R576 PolarHBondContact O-N 3.34Å; Y574-G577 PolarHBondContact O-N 3.45Å; Y574-G577 VanDerWaalsContact O-N 3.14Å; Y574-L578 HydrophobicContact CE1-CD2 4.07Å; Y574-L578 HydrophobicContact CE2-CD2 4.41Å; Y574-L578 PolarHBondContact O-N 3.46Å
575F95.7Very high93.2Very high1 Ų133.7 Ų33.70%0.00417%0.166CC..Hα-helixtrans-64.7-37.9-178.6-70.5-66.5000113.3V514 L571 K572 G577 L578 L582 V621 L625 T653 L654V514-F575 HydrophobicContact CB-CZ 4.44Å; V514-F575 HydrophobicContact CG1-CE2 4.37Å; V514-F575 HydrophobicContact CG1-CZ 3.87Å; V514-F575 HydrophobicContact CG2-CE1 4.24Å; V514-F575 HydrophobicContact CG2-CE2 4.14Å; V514-F575 HydrophobicContact CG2-CZ 3.64Å; L571-F575 HydrophobicContact CD1-CD2 4.38Å; L571-F575 HydrophobicContact CD1-CE2 3.74Å; L571-F575 HydrophobicContact CG-CD2 4.43Å; L571-F575 HydrophobicContact CG-CE2 4.12Å; L571-F575 VanDerWaalsContact O-CD2 3.27Å; L571-F575 WeakPolarHBondContact O-CD2 3.46Å; L571-F575 PolarHBondContact O-N 2.81Å; K572-F575 PolarHBondContact O-N 3.5Å; F575-G577 PolarHBondContact O-N 2.88Å; F575-L578 HydrophobicContact CD1-CD1 4.04Å; F575-L582 HydrophobicContact CD1-CD1 4.25Å; F575-L582 HydrophobicContact CD1-CD2 4.17Å; F575-L582 HydrophobicContact CE1-CD1 4.12Å; F575-L582 HydrophobicContact CE1-CD2 4.13Å; F575-V621 HydrophobicContact CE1-CG1 3.87Å; F575-V621 HydrophobicContact CZ-CG1 4.14Å; F575-L625 HydrophobicContact CD2-CD2 4.26Å; F575-L625 HydrophobicContact CE1-CD2 4.29Å; F575-L625 HydrophobicContact CE2-CD1 3.89Å; F575-L625 HydrophobicContact CE2-CD2 3.81Å; F575-L625 HydrophobicContact CE2-CG 4.4Å; F575-L625 HydrophobicContact CZ-CD1 4.31Å; F575-L625 HydrophobicContact CZ-CD2 3.82Å; F575-L625 HydrophobicContact CZ-CG 4.45Å; F575-T653 HydrophobicContact CB-CG2 4.13Å; F575-L654 HydrophobicContact CB-CD2 3.68Å; F575-L654 HydrophobicContact CD1-CD2 4.25Å; F575-L654 HydrophobicContact CD2-CD2 4.28Å; F575-L654 HydrophobicContact CG-CD2 3.83Å
576R94.1Very high92.9Very high192 Ų19239.7 Ų39.773%0.72519%0.194SC*.Hα-helixtrans-64.9-29.1175.2-174.7175.4176.8-170.9-0.9112.8K572 Y574 T653K572-R576 VanDerWaalsContact O-CB 3.23Å; K572-R576 WeakPolarHBondContact O-CB 2.9Å; K572-R576 PolarHBondContact O-N 2.94Å; Y574-R576 PolarHBondContact O-N 3.34Å; R576-T653 HydrophobicContact CB-CG2 4.18Å
577G88.9Confident92.5Very high18 Ų1843.7 Ų43.719%0.18621%0.209CC..Hα-helixtrans-81.3-20.5-176.900000114.6N496 L573 Y574 F575 E579N496-G577 VanDerWaalsContact CA-O 3.28Å; N496-G577 WeakPolarHBondContact CA-O 3.39Å; N496-G577 WeakPolarHBondContact OD1-CA 3.38Å; N496-G577 PolarHBondContact OD1-O 2.94Å; L573-G577 PolarHBondContact O-N 3.28Å; Y574-G577 PolarHBondContact O-N 3.45Å; Y574-G577 VanDerWaalsContact O-N 3.14Å; F575-G577 PolarHBondContact O-N 2.88Å; G577-E579 PolarHBondContact O-N 2.78Å
578L91.1Very high92.3Very high10 Ų1043.8 Ų43.85%0.05221%0.209CC..  trans-53.2137.2-172.7-63.8178.4000112.9L499 Y574 F575 N580L499-L578 HydrophobicContact CB-CD1 4.32Å; L499-L578 HydrophobicContact CB-CD2 4.25Å; L499-L578 HydrophobicContact CD2-CD1 4.16Å; Y574-L578 HydrophobicContact CE1-CD2 4.07Å; Y574-L578 HydrophobicContact CE2-CD2 4.41Å; Y574-L578 PolarHBondContact O-N 3.46Å; F575-L578 HydrophobicContact CD1-CD1 4.04Å; L578-N580 VanDerWaalsContact CB-O 3.25Å; L578-N580 WeakPolarHBondContact CB-O 3.28Å; L578-N580 PolarHBondContact O-N 3.24Å
579E87.8Confident92Very high130 Ų13047.8 Ų47.861%0.60723%0.231SC*.SBendtrans-58.4-38.4-179.2-177.8-179179.400112.2G497 N498 G577G497-E579 VanDerWaalsContact C-CB 3.48Å; G497-E579 PolarHBondContact O-N 3.42Å; G497-E579 VanDerWaalsContact O-N 3.09Å; N498-E579 WeakPolarHBondContact CB-OE2 3.49Å; N498-E579 PolarHBondContact N-OE2 3.47Å; N498-E579 VanDerWaalsContact N-OE2 3.11Å; G577-E579 PolarHBondContact O-N 2.78Å
580N87Confident91.7Very high89 Ų8950 Ų5048%0.47624%0.239SC..SBendtrans-112.4123.5164.2-68.7-63.5000107.7N498 L578N498-N580 PolarHBondContact ND2-ND2 3.4Å; L578-N580 VanDerWaalsContact CB-O 3.25Å; L578-N580 WeakPolarHBondContact CB-O 3.28Å; L578-N580 PolarHBondContact O-N 3.24Å
581P89.6Confident91.5Very high29 Ų2950 Ų5019%0.18824%0.239CC..  trans-58154.3176.5-23.733.5000112.2F583 P656P581-F583 CarbonylContact O-C 3.58Å; P581-F583 PolarHBondContact O-N 3.28Å; P581-P656 HydrophobicContact CB-CG 3.77Å; P581-P656 HydrophobicContact CG-CG 3.59Å
582L91.1Very high91.2Very high3 Ų351.4 Ų51.42%0.01625%0.247CC..SBendtrans-57.3-39.5-174.8-165.371.4000111.8L499 F575 V618 V621 M622 L625 L654L499-L582 HydrophobicContact CD2-CD1 3.83Å; F575-L582 HydrophobicContact CD1-CD1 4.25Å; F575-L582 HydrophobicContact CD1-CD2 4.17Å; F575-L582 HydrophobicContact CE1-CD1 4.12Å; F575-L582 HydrophobicContact CE1-CD2 4.13Å; L582-V618 HydrophobicContact CD1-CG1 3.87Å; L582-V621 HydrophobicContact CD1-CG1 4.37Å; L582-M622 HydrophobicContact CD1-CG 4.35Å; L582-M622 HydrophobicContact CD2-CG 3.99Å; L582-M622 HydrophobicContact CG-CE 4.06Å; L582-M622 HydrophobicContact CG-CG 4Å; L582-M622 WeakPolarHBondContact O-CE 3.4Å; L582-L625 HydrophobicContact CD2-CD2 3.89Å; L582-L654 HydrophobicContact CB-CD2 4.32Å; L582-L654 HydrophobicContact CD2-CD2 3.94Å
583F92.9Very high91Very high3 Ų352.2 Ų52.21%0.01326%0.258CS..SBendtrans-95.5113.7164.6-64.4-90.5000109.6P581 L591 L611 M622 F626 L654 M655 I674 I677P581-F583 CarbonylContact O-C 3.58Å; P581-F583 PolarHBondContact O-N 3.28Å; F583-L591 HydrophobicContact CD1-CD1 3.79Å; F583-L611 HydrophobicContact CD1-CD2 3.83Å; F583-L611 HydrophobicContact CE1-CD1 4.12Å; F583-L611 HydrophobicContact CE1-CD2 3.65Å; F583-M622 HydrophobicContact CD1-CE 3.72Å; F583-M622 HydrophobicContact CD2-CE 4.34Å; F583-M622 HydrophobicContact CE1-CE 3.73Å; F583-M622 HydrophobicContact CE1-SD 4.3Å; F583-M622 HydrophobicContact CE2-CE 4.35Å; F583-M622 HydrophobicContact CG-CE 4.05Å; F583-M622 HydrophobicContact CZ-CE 4.06Å; F583-F626 AromaticContact CE2-CE2 3.89Å; F583-F626 HydrophobicContact CE2-CE2 3.89Å; F583-F626 AromaticContact CE2-CZ 3.83Å; F583-F626 HydrophobicContact CE2-CZ 3.83Å; F583-F626 AromaticContact CZ-CE2 3.62Å; F583-F626 HydrophobicContact CZ-CE2 3.62Å; F583-F626 AromaticContact CZ-CZ 3.71Å; F583-F626 HydrophobicContact CZ-CZ 3.71Å; F583-L654 HydrophobicContact CD2-CB 3.78Å; F583-L654 HydrophobicContact CE2-CB 3.86Å; F583-L654 HydrophobicContact CE2-CD1 4.24Å; F583-L654 PolarHBondContact N-O 2.65Å; F583-L654 VanDerWaalsContact N-O 3.15Å; F583-M655 HydrophobicContact CB-CB 3.99Å; F583-M655 HydrophobicContact CB-CG 3.85Å; F583-M655 HydrophobicContact CB-SD 4.19Å; F583-M655 HydrophobicContact CD2-CB 4.05Å; F583-M655 HydrophobicContact CG-CB 4.21Å; F583-M655 HydrophobicContact CG-CG 4.35Å; F583-M655 HydrophobicContact CG-SD 4.31Å; F583-I674 HydrophobicContact CD2-CD1 4.29Å; F583-I674 HydrophobicContact CE2-CD1 3.67Å; F583-I674 HydrophobicContact CZ-CD1 3.94Å; F583-I677 HydrophobicContact CE1-CD1 3.74Å; F583-I677 HydrophobicContact CZ-CD1 3.74Å
584P88.9Confident90.9Very high35 Ų3549.6 Ų49.623%0.22724%0.244CC..  trans-60.6140.5-178.1-24.334.3000112.6E586 R587P584-E586 WeakPolarHBondContact CB-OE2 3.41Å; P584-E586 PolarHBondContact O-N 2.68Å; P584-E586 VanDerWaalsContact O-N 3.09Å; P584-R587 PolarHBondContact O-N 3.15Å
585K87.1Confident90.6Very high76 Ų7651 Ų5133%0.3325%0.251SS..G310 helixtrans-57.4-28.9-176.5-76.6-171.8172.1-175.40112.3R587 F588 P658 D659K585-R587 VanDerWaalsContact C-N 3.25Å; K585-R587 PolarHBondContact O-N 2.98Å; K585-F588 VanDerWaalsContact O-CB 3.27Å; K585-F588 WeakPolarHBondContact O-CB 3.4Å; K585-F588 PolarHBondContact O-N 3.09Å; K585-P658 HydrophobicContact CB-CG 4.37Å; K585-P658 HydrophobicContact CG-CG 4.46Å; K585-D659 IonicContact NZ-OD2 3.74Å; K585-D659 PolarHBondContact NZ-OD2 3.08Å
586E88.8Confident90.3Very high141 Ų14161.6 Ų61.666%0.65929%0.291SS*.G310 helixtrans-63.6-30.6178.4-58.365.3-139.200111.9P584P584-E586 WeakPolarHBondContact CB-OE2 3.41Å; P584-E586 PolarHBondContact O-N 2.68Å; P584-E586 VanDerWaalsContact O-N 3.09Å
587R89.3Confident90.1Very high83 Ų8354.3 Ų54.331%0.31327%0.266SS..G310 helixtrans-91.5-3.6179.5-64.7-53.6-169.7-157.6-6.3114.2P584 K585 N589 D590 L591 I610 T613P584-R587 PolarHBondContact O-N 3.15Å; K585-R587 VanDerWaalsContact C-N 3.25Å; K585-R587 PolarHBondContact O-N 2.98Å; R587-N589 VanDerWaalsContact C-N 3.34Å; R587-N589 PolarHBondContact O-N 3.35Å; R587-D590 WeakPolarHBondContact CD-OD2 3.24Å; R587-D590 IonicContact CZ-OD2 2.67Å; R587-D590 IonicContact NE-OD2 2.73Å; R587-D590 IonicContact NH1-OD2 2.61Å; R587-D590 PolarHBondContact NH1-OD2 3.48Å; R587-D590 PolarHBondContact O-N 3.24Å; R587-L591 HydrophobicContact CB-CD1 4.29Å; R587-L591 WeakPolarHBondContact O-CB 3.49Å; R587-L591 WeakPolarHBondContact O-CG 3.34Å; R587-L591 PolarHBondContact O-N 3.29Å; R587-I610 HydrophobicContact CB-CG2 4.27Å; R587-I610 HydrophobicContact CG-CG2 4.26Å; R587-T613 PolarHBondContact NE-OG1 2.85Å; R587-T613 PolarHBondContact NH2-OG1 3.4Å
588F90.8Very high90Very high2 Ų260.4 Ų60.41%0.00929%0.294CS..Hα-helixtrans-56.6-46.2-177.3-166.7-91.6000112.2K585 L591 L592 M655 T657 P658 C666 V670K585-F588 VanDerWaalsContact O-CB 3.27Å; K585-F588 WeakPolarHBondContact O-CB 3.4Å; K585-F588 PolarHBondContact O-N 3.09Å; F588-L591 PolarHBondContact O-N 2.91Å; F588-L592 HydrophobicContact CD1-CD1 3.99Å; F588-L592 HydrophobicContact CD1-CD2 4.08Å; F588-L592 HydrophobicContact CE1-CD1 3.73Å; F588-L592 HydrophobicContact CE1-CD2 3.54Å; F588-L592 HydrophobicContact CE1-CG 4.28Å; F588-L592 HydrophobicContact CE2-CD1 4.38Å; F588-L592 HydrophobicContact CG-CD1 4.43Å; F588-L592 HydrophobicContact CZ-CD1 3.93Å; F588-L592 HydrophobicContact CZ-CD2 4.28Å; F588-L592 WeakPolarHBondContact O-CB 3.49Å; F588-L592 WeakPolarHBondContact O-CD1 3.15Å; F588-L592 PolarHBondContact O-N 3.22Å; F588-M655 HydrophobicContact CD2-CE 4.25Å; F588-M655 HydrophobicContact CD2-CG 3.6Å; F588-M655 HydrophobicContact CD2-SD 4.23Å; F588-M655 HydrophobicContact CE2-CE 4.07Å; F588-M655 HydrophobicContact CE2-CG 3.81Å; F588-T657 HydrophobicContact CE1-CG2 4.18Å; F588-T657 HydrophobicContact CZ-CG2 3.93Å; F588-P658 HydrophobicContact CB-CG 3.89Å; F588-P658 HydrophobicContact CD1-CG 4.05Å; F588-P658 HydrophobicContact CD2-CG 4.32Å; F588-P658 VanDerWaalsContact CG-CD 3.48Å; F588-P658 HydrophobicContact CG-CG 3.85Å; F588-C666 HydrophobicContact CE1-CB 4.32Å; F588-C666 HydrophobicContact CZ-CB 4.14Å; F588-V670 HydrophobicContact CE2-CG2 3.75Å; F588-V670 HydrophobicContact CZ-CG2 3.59Å
589N90.3Very high90Very high84 Ų8463.3 Ų63.345%0.44931%0.31SS..Hα-helixtrans-70-39.5178.7-71-69000113R587 L591 L592 S593 Q661R587-N589 VanDerWaalsContact C-N 3.34Å; R587-N589 PolarHBondContact O-N 3.35Å; N589-L591 VanDerWaalsContact C-N 3.31Å; N589-L591 PolarHBondContact O-N 3.23Å; N589-L592 PolarHBondContact O-N 3.13Å; N589-S593 PolarHBondContact O-N 3.24Å; N589-Q661 PolarHBondContact OD1-NE2 3.03Å
590D91.4Very high90Very high58 Ų5860.7 Ų60.731%0.3130%0.3SS..Hα-helixtrans-58.5-46.9175.6-63.9-21.1000109.9R587 S593 C594 I610R587-D590 WeakPolarHBondContact CD-OD2 3.24Å; R587-D590 IonicContact CZ-OD2 2.67Å; R587-D590 IonicContact NE-OD2 2.73Å; R587-D590 IonicContact NH1-OD2 2.61Å; R587-D590 PolarHBondContact NH1-OD2 3.48Å; R587-D590 PolarHBondContact O-N 3.24Å; D590-S593 WeakPolarHBondContact O-CB 3.41Å; D590-S593 PolarHBondContact O-N 2.97Å; D590-S593 PolarHBondContact O-OG 3.38Å; D590-C594 PolarHBondContact O-SG 3.49Å; D590-C594 VanDerWaalsContact O-SG 3.4Å; D590-I610 HydrophobicContact CB-CD1 3.91Å; D590-I610 HydrophobicContact CB-CG1 4.23Å; D590-I610 HydrophobicContact CB-CG2 4.13Å; D590-I610 WeakPolarHBondContact O-CD1 3.32Å
591L92.5Very high90.1Very high0 Ų062.5 Ų62.50%030%0.301CS..Hα-helixtrans-67-47179-68.8167.9000112.1F583 R587 F588 N589 S593 C594 I607 I610 L611 M655 I673F583-L591 HydrophobicContact CD1-CD1 3.79Å; R587-L591 HydrophobicContact CB-CD1 4.29Å; R587-L591 WeakPolarHBondContact O-CB 3.49Å; R587-L591 WeakPolarHBondContact O-CG 3.34Å; R587-L591 PolarHBondContact O-N 3.29Å; F588-L591 PolarHBondContact O-N 2.91Å; N589-L591 VanDerWaalsContact C-N 3.31Å; N589-L591 PolarHBondContact O-N 3.23Å; L591-S593 PolarHBondContact O-N 2.98Å; L591-C594 VanDerWaalsContact O-CB 3.23Å; L591-C594 WeakPolarHBondContact O-CB 3.34Å; L591-C594 PolarHBondContact O-N 2.96Å; L591-C594 PolarHBondContact O-SG 2.88Å; L591-C594 VanDerWaalsContact O-SG 3.34Å; L591-I607 HydrophobicContact CD2-CG1 4.42Å; L591-I607 HydrophobicContact CD2-CG2 4.19Å; L591-I610 HydrophobicContact CD2-CB 4.22Å; L591-I610 HydrophobicContact CD2-CD1 4.09Å; L591-I610 HydrophobicContact CD2-CG2 3.94Å; L591-I610 HydrophobicContact CG-CG2 4.12Å; L591-L611 HydrophobicContact CD1-CD2 4.42Å; L591-L611 HydrophobicContact CD2-CD2 4.06Å; L591-M655 HydrophobicContact CB-SD 4.28Å; L591-M655 HydrophobicContact CD1-SD 3.62Å; L591-I673 HydrophobicContact CB-CG2 4.48Å; L591-I673 VanDerWaalsContact O-CD1 3.23Å; L591-I673 WeakPolarHBondContact O-CD1 3.27Å
592L91.6Very high90.1Very high31 Ų3166.4 Ų66.416%0.16232%0.316CS..Hα-helixtrans-59.6-28.8176.3-99.265.1000113F588 N589 C594 I595 M655 H669 V670F588-L592 HydrophobicContact CD1-CD1 3.99Å; F588-L592 HydrophobicContact CD1-CD2 4.08Å; F588-L592 HydrophobicContact CE1-CD1 3.73Å; F588-L592 HydrophobicContact CE1-CD2 3.54Å; F588-L592 HydrophobicContact CE1-CG 4.28Å; F588-L592 HydrophobicContact CE2-CD1 4.38Å; F588-L592 HydrophobicContact CG-CD1 4.43Å; F588-L592 HydrophobicContact CZ-CD1 3.93Å; F588-L592 HydrophobicContact CZ-CD2 4.28Å; F588-L592 WeakPolarHBondContact O-CB 3.49Å; F588-L592 WeakPolarHBondContact O-CD1 3.15Å; F588-L592 PolarHBondContact O-N 3.22Å; N589-L592 PolarHBondContact O-N 3.13Å; L592-C594 PolarHBondContact O-N 3.04Å; L592-I595 HydrophobicContact CG-CD1 4.34Å; L592-I595 WeakPolarHBondContact O-CG1 3.4Å; L592-I595 PolarHBondContact O-N 3.44Å; L592-M655 HydrophobicContact CD1-CE 3.72Å; L592-H669 HydrophobicContact CD2-CB 4.38Å; L592-H669 HydrophobicContact CG-CB 4.16Å; L592-V670 HydrophobicContact CD1-CG2 4.43Å
593S91.3Very high90.2Very high54 Ų5466.9 Ų66.938%0.37832%0.318SS..Hα-helixtrans-63.6-28.717682.10000113.3N589 D590 L591 I595 R596N589-S593 PolarHBondContact O-N 3.24Å; D590-S593 WeakPolarHBondContact O-CB 3.41Å; D590-S593 PolarHBondContact O-N 2.97Å; D590-S593 PolarHBondContact O-OG 3.38Å; L591-S593 PolarHBondContact O-N 2.98Å; S593-I595 PolarHBondContact O-N 3.16Å; S593-R596 PolarHBondContact O-N 3.48Å
594C92.2Very high90.2Very high1 Ų166.8 Ų66.81%0.00732%0.317CS..G310 helixtrans-64.7-23.7-177.1-54.80000113D590 L591 L592 R596 I597 R603 I607 I610 I673D590-C594 PolarHBondContact O-SG 3.49Å; D590-C594 VanDerWaalsContact O-SG 3.4Å; L591-C594 VanDerWaalsContact O-CB 3.23Å; L591-C594 WeakPolarHBondContact O-CB 3.34Å; L591-C594 PolarHBondContact O-N 2.96Å; L591-C594 PolarHBondContact O-SG 2.88Å; L591-C594 VanDerWaalsContact O-SG 3.34Å; L592-C594 PolarHBondContact O-N 3.04Å; C594-R596 PolarHBondContact O-N 3.33Å; C594-I597 VanDerWaalsContact O-CB 3.29Å; C594-I597 WeakPolarHBondContact O-CB 3.47Å; C594-I597 WeakPolarHBondContact O-CG1 3.26Å; C594-I597 PolarHBondContact O-N 2.98Å; C594-R603 HydrophobicContact CB-CG 4.11Å; C594-R603 WeakPolarHBondContact O-CG 3.28Å; C594-I607 HydrophobicContact CB-CD1 4.47Å; C594-I607 HydrophobicContact CB-CG1 4.05Å; C594-I610 WeakPolarHBondContact SG-CD1 3.38Å; C594-I673 HydrophobicContact CB-CD1 3.97Å
595I91Very high90.4Very high31 Ų3168.6 Ų68.616%0.15933%0.325CS..G310 helixtrans-66.2-23.6-176-50.6170.3000111.1L592 S593 I597 R603 H669 I673L592-I595 HydrophobicContact CG-CD1 4.34Å; L592-I595 WeakPolarHBondContact O-CG1 3.4Å; L592-I595 PolarHBondContact O-N 3.44Å; S593-I595 PolarHBondContact O-N 3.16Å; I595-I597 PolarHBondContact O-N 3.06Å; I595-R603 PolarHBondContact O-NH2 2.67Å; I595-H669 HydrophobicContact CD1-CB 3.4Å; I595-H669 VanDerWaalsContact CD1-O 3.27Å; I595-H669 WeakPolarHBondContact CD1-O 3.38Å; I595-I673 HydrophobicContact CD1-CD1 4.32Å; I595-I673 HydrophobicContact CD1-CG1 3.85Å; I595-I673 HydrophobicContact CG1-CD1 3.62Å; I595-I673 HydrophobicContact CG1-CG1 3.7Å
596R88.4Confident90.7Very high223 Ų22370.1 Ų70.184%0.84233%0.329SS*.G310 helixtrans-71.8-2.6173.1-57.7-176179.6-156.9-0.1113.9S593 C594S593-R596 PolarHBondContact O-N 3.48Å; C594-R596 PolarHBondContact O-N 3.33Å
597I90.9Very high91Very high40 Ų4063.4 Ų63.421%0.20530%0.298CS..  trans-94.9110.3172-52.8169.8000106.6C594 I595 E602 R603 Y606C594-I597 VanDerWaalsContact O-CB 3.29Å; C594-I597 WeakPolarHBondContact O-CB 3.47Å; C594-I597 WeakPolarHBondContact O-CG1 3.26Å; C594-I597 PolarHBondContact O-N 2.98Å; I595-I597 PolarHBondContact O-N 3.06Å; I597-E602 HydrophobicContact CG2-CB 3.75Å; I597-R603 HydrophobicContact CB-CB 4.16Å; I597-R603 HydrophobicContact CG2-CB 4.24Å; I597-R603 PolarHBondContact O-NE 3.45Å; I597-R603 PolarHBondContact O-NH2 2.8Å; I597-Y606 HydrophobicContact CD1-CD2 4.35Å; I597-Y606 HydrophobicContact CD1-CG 4.03Å
598D86.8Confident91.3Very high145 Ų14562 Ų6278%0.77529%0.293SS*.  trans-71.5-34.4-178.3-62.1-49.7000112.2L600D598-L600 PolarHBondContact O-N 3.31Å
599N90.4Very high91.4Very high72 Ų7268.6 Ų68.639%0.38532%0.321SS..  trans-71.1110.4174.7-178.1-7.9000110.6Y601 E602 R603N599-Y601 PolarHBondContact O-N 3.3Å; N599-Y601 PolarHBondContact OD1-N 3.43Å; N599-E602 HydrophobicContact CB-CB 4.1Å; N599-E602 HydrophobicContact CB-CG 4.23Å; N599-E602 VanDerWaalsContact ND2-CD 3.33Å; N599-E602 WeakPolarHBondContact ND2-CG 3.42Å; N599-E602 PolarHBondContact ND2-OE1 3.46Å; N599-E602 PolarHBondContact O-N 3.32Å; N599-R603 WeakPolarHBondContact O-CB 3.43Å; N599-R603 PolarHBondContact O-N 3.24Å
600L87.9Confident91.5Very high74 Ų7465.2 Ų65.239%0.38730%0.303SS..Hα-helixtrans-58.1-32.6-179.2-63.7178.2000113.6D598 A604D598-L600 PolarHBondContact O-N 3.31Å; L600-A604 WeakPolarHBondContact O-CB 3.28Å; L600-A604 PolarHBondContact O-N 3.32Å
601Y88.1Confident91.6Very high128 Ų12862.5 Ų62.550%0.50229%0.289SS..Hα-helixtrans-73.6-44.1179-177-102.7000111.8N599 R603 A604 L605 T683N599-Y601 PolarHBondContact O-N 3.3Å; N599-Y601 PolarHBondContact OD1-N 3.43Å; Y601-R603 VanDerWaalsContact C-N 3.32Å; Y601-R603 PolarHBondContact O-N 2.84Å; Y601-A604 WeakPolarHBondContact O-CB 3.46Å; Y601-A604 PolarHBondContact O-N 3.34Å; Y601-L605 HydrophobicContact CD1-CD1 4.04Å; Y601-L605 HydrophobicContact CE1-CD1 3.57Å; Y601-L605 HydrophobicContact CE1-CG 4.23Å; Y601-L605 WeakPolarHBondContact O-CG 3.41Å; Y601-L605 PolarHBondContact O-N 2.66Å; Y601-T683 HydrophobicContact CD2-CG2 4.28Å; Y601-T683 HydrophobicContact CE2-CG2 3.83Å
602E90.6Very high91.5Very high110 Ų11066.7 Ų66.751%0.51431%0.311SS..Hα-helixtrans-64.2-38.9172.5-73.3169.4-138.900111.6I597 N599 A604 L605 Y606I597-E602 HydrophobicContact CG2-CB 3.75Å; N599-E602 HydrophobicContact CB-CB 4.1Å; N599-E602 HydrophobicContact CB-CG 4.23Å; N599-E602 VanDerWaalsContact ND2-CD 3.33Å; N599-E602 WeakPolarHBondContact ND2-CG 3.42Å; N599-E602 PolarHBondContact ND2-OE1 3.46Å; N599-E602 PolarHBondContact O-N 3.32Å; E602-A604 VanDerWaalsContact C-N 3.35Å; E602-A604 PolarHBondContact O-N 2.94Å; E602-L605 PolarHBondContact O-N 3.43Å; E602-Y606 PolarHBondContact O-N 3Å
603R93.6Very high91.5Very high14 Ų1468.8 Ų68.85%0.05333%0.325CS..Hα-helixtrans-57.9-46.6172.3-173.6-170.7-64.5174.70.5110.8C594 I595 I597 N599 Y601 Y606 I607 E672 T676C594-R603 HydrophobicContact CB-CG 4.11Å; C594-R603 WeakPolarHBondContact O-CG 3.28Å; I595-R603 PolarHBondContact O-NH2 2.67Å; I597-R603 HydrophobicContact CB-CB 4.16Å; I597-R603 HydrophobicContact CG2-CB 4.24Å; I597-R603 PolarHBondContact O-NE 3.45Å; I597-R603 PolarHBondContact O-NH2 2.8Å; N599-R603 WeakPolarHBondContact O-CB 3.43Å; N599-R603 PolarHBondContact O-N 3.24Å; Y601-R603 VanDerWaalsContact C-N 3.32Å; Y601-R603 PolarHBondContact O-N 2.84Å; R603-Y606 PolarHBondContact O-N 3.24Å; R603-I607 HydrophobicContact CG-CD1 4.04Å; R603-I607 VanDerWaalsContact O-CG1 3.27Å; R603-I607 WeakPolarHBondContact O-CG1 3.37Å; R603-I607 PolarHBondContact O-N 3.45Å; R603-E672 IonicContact NH1-OE1 3.88Å; R603-E672 PolarHBondContact NH1-OE1 3.35Å; R603-E672 VanDerWaalsContact NH1-OE1 3.08Å; R603-T676 HydrophobicContact CG-CG2 4.13Å
604A92.8Very high91.5Very high0 Ų066.8 Ų66.80%031%0.31CS..Hα-helixtrans-61.4-44.9176.200000112.3L600 Y601 E602 Y606 I607 R608 H680 T683 I684L600-A604 WeakPolarHBondContact O-CB 3.28Å; L600-A604 PolarHBondContact O-N 3.32Å; Y601-A604 WeakPolarHBondContact O-CB 3.46Å; Y601-A604 PolarHBondContact O-N 3.34Å; E602-A604 VanDerWaalsContact C-N 3.35Å; E602-A604 PolarHBondContact O-N 2.94Å; A604-Y606 VanDerWaalsContact C-N 3.34Å; A604-Y606 PolarHBondContact O-N 2.92Å; A604-I607 PolarHBondContact O-N 3.01Å; A604-R608 PolarHBondContact O-N 2.96Å; A604-H680 HydrophobicContact CB-CB 3.76Å; A604-T683 HydrophobicContact CB-CG2 4.24Å; A604-I684 HydrophobicContact CB-CD1 3.91Å; A604-I684 HydrophobicContact CB-CG1 3.85Å; A604-I684 WeakPolarHBondContact O-CG1 3.41Å
605L92.7Very high91.4Very high74 Ų7469.4 Ų69.439%0.38733%0.327SS..Hα-helixtrans-63.2-37.3175.7-69.3177.6000112.8Y601 E602 R608 K609 T683Y601-L605 HydrophobicContact CD1-CD1 4.04Å; Y601-L605 HydrophobicContact CE1-CD1 3.57Å; Y601-L605 HydrophobicContact CE1-CG 4.23Å; Y601-L605 WeakPolarHBondContact O-CG 3.41Å; Y601-L605 PolarHBondContact O-N 2.66Å; E602-L605 PolarHBondContact O-N 3.43Å; L605-R608 PolarHBondContact O-N 3.31Å; L605-K609 PolarHBondContact O-N 3.04Å; L605-K609 VanDerWaalsContact O-N 3.1Å; L605-T683 HydrophobicContact CD2-CG2 4Å
606Y93.7Very high91.3Very high107 Ų10776.7 Ų76.742%0.4235%0.352SS..Hα-helixtrans-70.6-37.3175.9-153.6-84000111.9I597 E602 R603 A604 K609 I610I597-Y606 HydrophobicContact CD1-CD2 4.35Å; I597-Y606 HydrophobicContact CD1-CG 4.03Å; E602-Y606 PolarHBondContact O-N 3Å; R603-Y606 PolarHBondContact O-N 3.24Å; A604-Y606 VanDerWaalsContact C-N 3.34Å; A604-Y606 PolarHBondContact O-N 2.92Å; Y606-K609 WeakPolarHBondContact O-CB 3.49Å; Y606-K609 PolarHBondContact O-N 2.59Å; Y606-I610 HydrophobicContact CD1-CD1 3.86Å; Y606-I610 HydrophobicContact CD1-CG1 4.41Å; Y606-I610 HydrophobicContact CE1-CD1 4.03Å; Y606-I610 HydrophobicContact CE1-CG1 4.45Å; Y606-I610 WeakPolarHBondContact O-CG1 3.27Å; Y606-I610 PolarHBondContact O-N 3.02Å
607I95.1Very high91.4Very high0 Ų068.5 Ų68.50%033%0.325CS..Hα-helixtrans-62.6-45.7171.1-68.7166.1000110.6L591 C594 R603 A604 K609 I610 L611 I673 T676 I677 I684L591-I607 HydrophobicContact CD2-CG1 4.42Å; L591-I607 HydrophobicContact CD2-CG2 4.19Å; C594-I607 HydrophobicContact CB-CD1 4.47Å; C594-I607 HydrophobicContact CB-CG1 4.05Å; R603-I607 HydrophobicContact CG-CD1 4.04Å; R603-I607 VanDerWaalsContact O-CG1 3.27Å; R603-I607 WeakPolarHBondContact O-CG1 3.37Å; R603-I607 PolarHBondContact O-N 3.45Å; A604-I607 PolarHBondContact O-N 3.01Å; I607-K609 VanDerWaalsContact C-N 3.29Å; I607-K609 PolarHBondContact O-N 3.13Å; I607-I610 PolarHBondContact O-N 2.88Å; I607-L611 HydrophobicContact CG2-CD1 3.79Å; I607-L611 HydrophobicContact CG2-CG 3.93Å; I607-L611 WeakPolarHBondContact O-CG 3.44Å; I607-L611 PolarHBondContact O-N 3.37Å; I607-I673 HydrophobicContact CD1-CD1 3.91Å; I607-T676 HydrophobicContact CD1-CG2 3.86Å; I607-I677 HydrophobicContact CD1-CG1 4.44Å; I607-I677 HydrophobicContact CG2-CD1 4.05Å; I607-I677 HydrophobicContact CG2-CG1 3.89Å; I607-I684 HydrophobicContact CG2-CD1 4.34Å; I607-I684 HydrophobicContact CG2-CG2 4.11Å
608R94.6Very high91.4Very high53 Ų5367.3 Ų67.320%0.232%0.32CS..Hα-helixtrans-51.7-47.8173.3179.1155.4173.6-179.4-1.4111.4A604 L605 I610 L611 L612 T683 I684 E690A604-R608 PolarHBondContact O-N 2.96Å; L605-R608 PolarHBondContact O-N 3.31Å; R608-I610 VanDerWaalsContact C-N 3.26Å; R608-I610 PolarHBondContact O-N 3.4Å; R608-L611 PolarHBondContact O-N 2.86Å; R608-L612 HydrophobicContact CG-CD1 3.7Å; R608-L612 HydrophobicContact CG-CG 4.11Å; R608-L612 WeakPolarHBondContact O-CB 3.46Å; R608-L612 WeakPolarHBondContact O-CG 3.39Å; R608-L612 PolarHBondContact O-N 3.37Å; R608-T683 WeakPolarHBondContact CD-O 3.5Å; R608-T683 PolarHBondContact NH1-O 3.02Å; R608-I684 WeakPolarHBondContact CD-O 3.44Å; R608-I684 VanDerWaalsContact CG-O 3.25Å; R608-I684 WeakPolarHBondContact CG-O 3.35Å; R608-E690 IonicContact CZ-OE2 2.73Å; R608-E690 IonicContact NH2-OE1 3.06Å; R608-E690 PolarHBondContact NH2-OE1 2.88Å; R608-E690 IonicContact NH2-OE2 3.43Å; R608-E690 PolarHBondContact NH2-OE2 3.47Å
609K93.2Very high91.7Very high141 Ų14160.8 Ų60.861%0.61328%0.284SS*.Hα-helixtrans-58.5-34.6178.2-173.6-177177.1-174.30113.1L605 Y606 I607L605-K609 PolarHBondContact O-N 3.04Å; L605-K609 VanDerWaalsContact O-N 3.1Å; Y606-K609 WeakPolarHBondContact O-CB 3.49Å; Y606-K609 PolarHBondContact O-N 2.59Å; I607-K609 VanDerWaalsContact C-N 3.29Å; I607-K609 PolarHBondContact O-N 3.13Å
610I93.5Very high91.9Very high13 Ų1357.9 Ų57.97%0.06727%0.269CS..Hα-helixtrans-76.5-49.4175.9-63.1161000110.8R587 D590 L591 C594 Y606 I607 R608 L612 T613R587-I610 HydrophobicContact CB-CG2 4.27Å; R587-I610 HydrophobicContact CG-CG2 4.26Å; D590-I610 HydrophobicContact CB-CD1 3.91Å; D590-I610 HydrophobicContact CB-CG1 4.23Å; D590-I610 HydrophobicContact CB-CG2 4.13Å; D590-I610 WeakPolarHBondContact O-CD1 3.32Å; L591-I610 HydrophobicContact CD2-CB 4.22Å; L591-I610 HydrophobicContact CD2-CD1 4.09Å; L591-I610 HydrophobicContact CD2-CG2 3.94Å; L591-I610 HydrophobicContact CG-CG2 4.12Å; C594-I610 WeakPolarHBondContact SG-CD1 3.38Å; Y606-I610 HydrophobicContact CD1-CD1 3.86Å; Y606-I610 HydrophobicContact CD1-CG1 4.41Å; Y606-I610 HydrophobicContact CE1-CD1 4.03Å; Y606-I610 HydrophobicContact CE1-CG1 4.45Å; Y606-I610 WeakPolarHBondContact O-CG1 3.27Å; Y606-I610 PolarHBondContact O-N 3.02Å; I607-I610 PolarHBondContact O-N 2.88Å; R608-I610 VanDerWaalsContact C-N 3.26Å; R608-I610 PolarHBondContact O-N 3.4Å; I610-L612 VanDerWaalsContact C-N 3.31Å; I610-L612 PolarHBondContact O-N 3.1Å; I610-T613 WeakPolarHBondContact O-CB 3.41Å; I610-T613 PolarHBondContact O-N 3.01Å; I610-T613 PolarHBondContact O-OG1 3.33Å
611L92.9Very high92.2Very high1 Ų154.3 Ų54.31%0.00525%0.25CS..Hα-helixtrans-65.5-32.8-176.1-59.6-171.3000112.1F583 L591 I607 R608 T613 I614 L619 M622 I677 I684 F685F583-L611 HydrophobicContact CD1-CD2 3.83Å; F583-L611 HydrophobicContact CE1-CD1 4.12Å; F583-L611 HydrophobicContact CE1-CD2 3.65Å; L591-L611 HydrophobicContact CD1-CD2 4.42Å; L591-L611 HydrophobicContact CD2-CD2 4.06Å; I607-L611 HydrophobicContact CG2-CD1 3.79Å; I607-L611 HydrophobicContact CG2-CG 3.93Å; I607-L611 WeakPolarHBondContact O-CG 3.44Å; I607-L611 PolarHBondContact O-N 3.37Å; R608-L611 PolarHBondContact O-N 2.86Å; L611-T613 PolarHBondContact O-N 2.64Å; L611-I614 HydrophobicContact CB-CD1 4.46Å; L611-I614 HydrophobicContact CD2-CD1 3.66Å; L611-I614 VanDerWaalsContact O-CB 3.23Å; L611-I614 WeakPolarHBondContact O-CB 3.41Å; L611-I614 WeakPolarHBondContact O-CG1 3.22Å; L611-I614 PolarHBondContact O-N 3.46Å; L611-L619 HydrophobicContact CB-CD2 4.11Å; L611-L619 WeakPolarHBondContact O-CD2 3.36Å; L611-M622 HydrophobicContact CD1-SD 4.41Å; L611-I677 HydrophobicContact CD1-CD1 4.37Å; L611-I684 HydrophobicContact CD1-CG2 3.75Å; L611-F685 HydrophobicContact CD1-CE1 3.79Å; L611-F685 HydrophobicContact CD1-CZ 3.9Å
612L90.9Very high92.5Very high88 Ų8848.2 Ų48.246%0.46123%0.226SC..THydrogen-bonded Turntrans-59.6-7.8171.8-75.3173.2000114.8R608 I610 P686R608-L612 HydrophobicContact CG-CD1 3.7Å; R608-L612 HydrophobicContact CG-CG 4.11Å; R608-L612 WeakPolarHBondContact O-CB 3.46Å; R608-L612 WeakPolarHBondContact O-CG 3.39Å; R608-L612 PolarHBondContact O-N 3.37Å; I610-L612 VanDerWaalsContact C-N 3.31Å; I610-L612 PolarHBondContact O-N 3.1Å; L612-P686 HydrophobicContact CD2-CG 3.78Å
613T90.8Very high92.7Very high76 Ų7643.8 Ų43.847%0.46621%0.205SC..THydrogen-bonded Turntrans-90.3-5.117173.60000114.3R587 I610 L611R587-T613 PolarHBondContact NE-OG1 2.85Å; R587-T613 PolarHBondContact NH2-OG1 3.4Å; I610-T613 WeakPolarHBondContact O-CB 3.41Å; I610-T613 PolarHBondContact O-N 3.01Å; I610-T613 PolarHBondContact O-OG1 3.33Å; L611-T613 PolarHBondContact O-N 2.64Å
614I90.5Very high92.8Very high11 Ų1143.5 Ų43.56%0.05620%0.204CC..SBendtrans-83.9147.8178.2-60.8178.4000109.3L611 R616 V618 L619 M622L611-I614 HydrophobicContact CB-CD1 4.46Å; L611-I614 HydrophobicContact CD2-CD1 3.66Å; L611-I614 VanDerWaalsContact O-CB 3.23Å; L611-I614 WeakPolarHBondContact O-CB 3.41Å; L611-I614 WeakPolarHBondContact O-CG1 3.22Å; L611-I614 PolarHBondContact O-N 3.46Å; I614-R616 PolarHBondContact O-N 3.32Å; I614-V618 HydrophobicContact CG2-CB 3.88Å; I614-V618 HydrophobicContact CG2-CG1 3.83Å; I614-L619 HydrophobicContact CB-CD2 4.49Å; I614-L619 HydrophobicContact CB-CG 4.26Å; I614-L619 HydrophobicContact CG2-CG 4.49Å; I614-L619 WeakPolarHBondContact O-CD1 3.46Å; I614-M622 HydrophobicContact CD1-CE 3.66Å; I614-M622 HydrophobicContact CD1-SD 4.32Å
615P91Very high93Very high56 Ų5643.5 Ų43.536%0.36420%0.204SC..  trans-52.9135.4178.4-29.136.5000113.5E500 L617 V618 L619E500-P615 WeakPolarHBondContact OE2-CG 3.42Å; P615-L617 PolarHBondContact O-N 3.33Å; P615-L617 VanDerWaalsContact O-N 3.09Å; P615-V618 HydrophobicContact CB-CG2 4.42Å; P615-V618 WeakPolarHBondContact O-CB 3.35Å; P615-V618 PolarHBondContact O-N 3.4Å; P615-L619 PolarHBondContact O-N 2.9Å; P615-L619 VanDerWaalsContact O-N 3.11Å
616R89.8Confident93.2Very high185 Ų18540 Ų4070%0.69819%0.185SC*.Hα-helixtrans-51.2-38.7-174.9-72-174.6175.3-162.7-4.2114I614 V618 L619 I620 L691I614-R616 PolarHBondContact O-N 3.32Å; R616-V618 VanDerWaalsContact C-N 3.33Å; R616-V618 PolarHBondContact O-N 2.9Å; R616-L619 WeakPolarHBondContact O-CB 3.48Å; R616-L619 PolarHBondContact O-N 2.87Å; R616-I620 WeakPolarHBondContact O-CG1 3.43Å; R616-I620 PolarHBondContact O-N 3.02Å; R616-L691 HydrophobicContact CB-CD1 4.23Å; R616-L691 HydrophobicContact CG-CD1 4.28Å
617L89.8Confident93.3Very high50 Ų5035.5 Ų35.526%0.26217%0.171SC..Hα-helixtrans-63.6-37.6179-58.2177.5000112.3E500 I503 K504 P615 V621E500-L617 HydrophobicContact CG-CB 4.48Å; E500-L617 HydrophobicContact CG-CD1 3.97Å; I503-L617 HydrophobicContact CB-CD1 4.43Å; I503-L617 HydrophobicContact CD1-CB 4.12Å; I503-L617 HydrophobicContact CG2-CB 4.18Å; I503-L617 HydrophobicContact CG2-CD1 3.92Å; I503-L617 HydrophobicContact CG2-CD2 3.98Å; I503-L617 HydrophobicContact CG2-CG 4.23Å; K504-L617 HydrophobicContact CD-CD1 4.5Å; K504-L617 HydrophobicContact CG-CD1 3.87Å; P615-L617 PolarHBondContact O-N 3.33Å; P615-L617 VanDerWaalsContact O-N 3.09Å; L617-V621 PolarHBondContact O-N 3.15Å
618V91.6Very high93.4Very high16 Ų1635.5 Ų35.510%0.09717%0.171CC..Hα-helixtrans-73.4-35.7175.8-179.10000110.7L499 L582 I614 P615 R616 I620 V621 M622L499-V618 HydrophobicContact CD2-CG1 4.36Å; L499-V618 HydrophobicContact CD2-CG2 4.28Å; L582-V618 HydrophobicContact CD1-CG1 3.87Å; I614-V618 HydrophobicContact CG2-CB 3.88Å; I614-V618 HydrophobicContact CG2-CG1 3.83Å; P615-V618 HydrophobicContact CB-CG2 4.42Å; P615-V618 WeakPolarHBondContact O-CB 3.35Å; P615-V618 PolarHBondContact O-N 3.4Å; R616-V618 VanDerWaalsContact C-N 3.33Å; R616-V618 PolarHBondContact O-N 2.9Å; V618-I620 VanDerWaalsContact C-N 3.34Å; V618-I620 PolarHBondContact O-N 2.95Å; V618-V621 PolarHBondContact O-N 3.14Å; V618-M622 HydrophobicContact CG1-CE 4.49Å; V618-M622 WeakPolarHBondContact O-CG 3.46Å; V618-M622 PolarHBondContact O-N 3.26Å
619L92.8Very high93.6Very high7 Ų733 Ų334%0.03716%0.161CC..Hα-helixtrans-63.6-34.9174.5-78.3169.6000113.5L611 I614 P615 R616 M622 R623 F685 L691L611-L619 HydrophobicContact CB-CD2 4.11Å; L611-L619 WeakPolarHBondContact O-CD2 3.36Å; I614-L619 HydrophobicContact CB-CD2 4.49Å; I614-L619 HydrophobicContact CB-CG 4.26Å; I614-L619 HydrophobicContact CG2-CG 4.49Å; I614-L619 WeakPolarHBondContact O-CD1 3.46Å; P615-L619 PolarHBondContact O-N 2.9Å; P615-L619 VanDerWaalsContact O-N 3.11Å; R616-L619 WeakPolarHBondContact O-CB 3.48Å; R616-L619 PolarHBondContact O-N 2.87Å; L619-M622 HydrophobicContact CD2-SD 4.11Å; L619-M622 PolarHBondContact O-N 3.41Å; L619-R623 WeakPolarHBondContact O-CB 3.43Å; L619-R623 PolarHBondContact O-N 3.18Å; L619-F685 HydrophobicContact CD2-CD1 4.24Å; L619-F685 HydrophobicContact CD2-CE1 4.22Å; L619-L691 HydrophobicContact CB-CD2 4.11Å
620I93.4Very high93.8Very high11 Ų1127.5 Ų27.56%0.05614%0.139CC..Hα-helixtrans-62.9-45.6173.6-67.4163.2000110.2I510 R616 V618 R623 Y624 L691 E692I510-I620 HydrophobicContact CD1-CG2 3.88Å; R616-I620 WeakPolarHBondContact O-CG1 3.43Å; R616-I620 PolarHBondContact O-N 3.02Å; V618-I620 VanDerWaalsContact C-N 3.34Å; V618-I620 PolarHBondContact O-N 2.95Å; I620-R623 PolarHBondContact O-N 3Å; I620-Y624 PolarHBondContact O-N 2.7Å; I620-L691 HydrophobicContact CD1-CD1 4.43Å; I620-L691 HydrophobicContact CG1-CD1 4.29Å; I620-L691 HydrophobicContact CG1-CD2 3.94Å; I620-L691 HydrophobicContact CG1-CG 4Å; I620-E692 WeakPolarHBondContact CD1-O 3.26Å
621V94.4Very high93.9Very high0 Ų027.4 Ų27.40%014%0.138CC..Hα-helixtrans-64.8-39.7175.8178.90000112L499 I503 I510 F575 L582 L617 V618 L625L499-V621 HydrophobicContact CD2-CB 4.44Å; L499-V621 HydrophobicContact CD2-CG1 4.34Å; L499-V621 HydrophobicContact CD2-CG2 4.44Å; I503-V621 HydrophobicContact CD1-CG2 3.85Å; I510-V621 HydrophobicContact CD1-CB 4.47Å; I510-V621 HydrophobicContact CD1-CG2 4.03Å; F575-V621 HydrophobicContact CE1-CG1 3.87Å; F575-V621 HydrophobicContact CZ-CG1 4.14Å; L582-V621 HydrophobicContact CD1-CG1 4.37Å; L617-V621 PolarHBondContact O-N 3.15Å; V618-V621 PolarHBondContact O-N 3.14Å; V621-L625 WeakPolarHBondContact O-CB 3.43Å; V621-L625 PolarHBondContact O-N 3.29Å
622M95.4Very high94.1Very high0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-60.4-50.2172.7-74.1-172.5170.900111.8L582 F583 L611 I614 V618 L619 Y624 L625 F626 F685L582-M622 HydrophobicContact CD1-CG 4.35Å; L582-M622 HydrophobicContact CD2-CG 3.99Å; L582-M622 HydrophobicContact CG-CE 4.06Å; L582-M622 HydrophobicContact CG-CG 4Å; L582-M622 WeakPolarHBondContact O-CE 3.4Å; F583-M622 HydrophobicContact CD1-CE 3.72Å; F583-M622 HydrophobicContact CD2-CE 4.34Å; F583-M622 HydrophobicContact CE1-CE 3.73Å; F583-M622 HydrophobicContact CE1-SD 4.3Å; F583-M622 HydrophobicContact CE2-CE 4.35Å; F583-M622 HydrophobicContact CG-CE 4.05Å; F583-M622 HydrophobicContact CZ-CE 4.06Å; L611-M622 HydrophobicContact CD1-SD 4.41Å; I614-M622 HydrophobicContact CD1-CE 3.66Å; I614-M622 HydrophobicContact CD1-SD 4.32Å; V618-M622 HydrophobicContact CG1-CE 4.49Å; V618-M622 WeakPolarHBondContact O-CG 3.46Å; V618-M622 PolarHBondContact O-N 3.26Å; L619-M622 HydrophobicContact CD2-SD 4.11Å; L619-M622 PolarHBondContact O-N 3.41Å; M622-Y624 VanDerWaalsContact C-N 3.29Å; M622-Y624 PolarHBondContact O-N 3.08Å; M622-L625 PolarHBondContact O-N 3.21Å; M622-F626 HydrophobicContact CB-CD2 4.38Å; M622-F626 WeakPolarHBondContact O-CD2 3.29Å; M622-F626 PolarHBondContact O-N 2.99Å; M622-F685 HydrophobicContact CB-CD1 4.25Å; M622-F685 HydrophobicContact CB-CE1 3.48Å; M622-F685 VanDerWaalsContact CB-CE1 3.48Å; M622-F685 HydrophobicContact CB-CZ 3.78Å; M622-F685 HydrophobicContact CG-CE1 4.3Å; M622-F685 HydrophobicContact SD-CE1 3.85Å; M622-F685 HydrophobicContact SD-CZ 4.3Å
623R94.8Very high94.3Very high17 Ų1723.7 Ų23.76%0.06412%0.119CC..Hα-helixtrans-55.7-45.7180-177.5175.871.6-174.91.1111.1L619 I620 A627 F685 P686 D687 L691 G693 P694L619-R623 WeakPolarHBondContact O-CB 3.43Å; L619-R623 PolarHBondContact O-N 3.18Å; I620-R623 PolarHBondContact O-N 3Å; R623-A627 VanDerWaalsContact O-CB 3.28Å; R623-A627 WeakPolarHBondContact O-CB 3.29Å; R623-A627 PolarHBondContact O-N 3.19Å; R623-A627 VanDerWaalsContact O-N 3.11Å; R623-F685 HydrophobicContact CB-CB 3.99Å; R623-F685 HydrophobicContact CB-CD1 4.45Å; R623-F685 HydrophobicContact CB-CG 4.13Å; R623-F685 HydrophobicContact CG-CB 3.9Å; R623-F685 HydrophobicContact CG-CG 4.48Å; R623-P686 WeakPolarHBondContact CD-O 3.41Å; R623-P686 PolarHBondContact NH1-O 3.42Å; R623-D687 PolarHBondContact NH1-O 3.46Å; R623-L691 PolarHBondContact NH1-O 3.02Å; R623-L691 PolarHBondContact NH2-O 2.95Å; R623-L691 VanDerWaalsContact NH2-O 3.17Å; R623-G693 PolarHBondContact NH2-O 3.46Å; R623-P694 PolarHBondContact NH2-O 2.93Å
624Y95.3Very high94.5Very high7 Ų724.2 Ų24.23%0.02712%0.117CC..Hα-helixtrans-63.6-48.3178.1-166-89.8000112.2I510 I518 I620 M622 F628 Y696 M700I510-Y624 HydrophobicContact CD1-CD1 4.37Å; I510-Y624 HydrophobicContact CD1-CD2 4.15Å; I510-Y624 HydrophobicContact CD1-CG 3.8Å; I510-Y624 HydrophobicContact CG1-CD2 4.11Å; I510-Y624 HydrophobicContact CG1-CG 4.12Å; I510-Y624 HydrophobicContact CG2-CD1 4.27Å; I510-Y624 HydrophobicContact CG2-CE1 4.42Å; I518-Y624 HydrophobicContact CB-CE1 4.15Å; I518-Y624 HydrophobicContact CD1-CD1 3.78Å; I518-Y624 HydrophobicContact CD1-CE1 3.77Å; I518-Y624 HydrophobicContact CG2-CE1 3.84Å; I620-Y624 PolarHBondContact O-N 2.7Å; M622-Y624 VanDerWaalsContact C-N 3.29Å; M622-Y624 PolarHBondContact O-N 3.08Å; Y624-F628 PolarHBondContact O-N 2.99Å; Y624-Y696 HydrophobicContact CE1-CD2 4.4Å; Y624-Y696 HydrophobicContact CE2-CD2 4.46Å; Y624-M700 HydrophobicContact CE2-CE 4.47Å
625L96.8Very high94.8Very high0 Ų027.1 Ų27.10%013%0.127CC..Hα-helixtrans-63.2-46.7179177.864.3000112.6I518 F575 L582 V621 M622 F628 L629 F650 L654I518-L625 HydrophobicContact CD1-CD1 4.19Å; F575-L625 HydrophobicContact CD2-CD2 4.26Å; F575-L625 HydrophobicContact CE1-CD2 4.29Å; F575-L625 HydrophobicContact CE2-CD1 3.89Å; F575-L625 HydrophobicContact CE2-CD2 3.81Å; F575-L625 HydrophobicContact CE2-CG 4.4Å; F575-L625 HydrophobicContact CZ-CD1 4.31Å; F575-L625 HydrophobicContact CZ-CD2 3.82Å; F575-L625 HydrophobicContact CZ-CG 4.45Å; L582-L625 HydrophobicContact CD2-CD2 3.89Å; V621-L625 WeakPolarHBondContact O-CB 3.43Å; V621-L625 PolarHBondContact O-N 3.29Å; M622-L625 PolarHBondContact O-N 3.21Å; L625-F628 PolarHBondContact O-N 3.13Å; L625-L629 HydrophobicContact CD1-CD1 4.17Å; L625-L629 HydrophobicContact CD1-CG 4.23Å; L625-L629 HydrophobicContact CG-CD1 4.08Å; L625-L629 HydrophobicContact CG-CG 4.46Å; L625-L629 WeakPolarHBondContact O-CG 3.41Å; L625-L629 PolarHBondContact O-N 3.24Å; L625-F650 HydrophobicContact CD1-CE1 4.5Å; L625-L654 HydrophobicContact CD2-CD1 3.89Å; L625-L654 HydrophobicContact CD2-CD2 3.97Å
626F97.3Very high94.9Very high0 Ų026.3 Ų26.30%012%0.123CC..Hα-helixtrans-75.3-29.9-174.8-80.5-73.4000113.4F583 M622 L629 N630 L654 I674 I677 I678 H681 F685F583-F626 AromaticContact CE2-CE2 3.89Å; F583-F626 HydrophobicContact CE2-CE2 3.89Å; F583-F626 AromaticContact CE2-CZ 3.83Å; F583-F626 HydrophobicContact CE2-CZ 3.83Å; F583-F626 AromaticContact CZ-CE2 3.62Å; F583-F626 HydrophobicContact CZ-CE2 3.62Å; F583-F626 AromaticContact CZ-CZ 3.71Å; F583-F626 HydrophobicContact CZ-CZ 3.71Å; M622-F626 HydrophobicContact CB-CD2 4.38Å; M622-F626 WeakPolarHBondContact O-CD2 3.29Å; M622-F626 PolarHBondContact O-N 2.99Å; F626-L629 HydrophobicContact CD1-CD1 4.38Å; F626-L629 HydrophobicContact CE1-CD1 4.41Å; F626-L629 PolarHBondContact O-N 2.99Å; F626-N630 WeakPolarHBondContact O-CB 3.44Å; F626-N630 PolarHBondContact O-N 3.39Å; F626-L654 HydrophobicContact CE1-CD1 4.45Å; F626-L654 HydrophobicContact CE2-CD1 4.24Å; F626-L654 HydrophobicContact CZ-CD1 3.69Å; F626-I674 HydrophobicContact CE1-CG2 4.15Å; F626-I674 HydrophobicContact CZ-CD1 4.29Å; F626-I677 HydrophobicContact CB-CG2 4.4Å; F626-I677 HydrophobicContact CD1-CB 4.27Å; F626-I677 HydrophobicContact CD1-CG2 3.56Å; F626-I677 HydrophobicContact CD2-CG2 3.82Å; F626-I677 HydrophobicContact CE1-CB 4.07Å; F626-I677 HydrophobicContact CE1-CG2 3.65Å; F626-I677 HydrophobicContact CE2-CG2 3.92Å; F626-I677 HydrophobicContact CG-CG2 3.65Å; F626-I677 HydrophobicContact CZ-CB 4.43Å; F626-I677 HydrophobicContact CZ-CG2 3.83Å; F626-I678 HydrophobicContact CD1-CG1 3.76Å; F626-I678 HydrophobicContact CE1-CG1 3.89Å; F626-H681 HydrophobicContact CB-CB 4.08Å; F626-F685 HydrophobicContact CB-CD2 4.38Å; F626-F685 HydrophobicContact CB-CE2 3.68Å; F626-F685 HydrophobicContact CB-CZ 4.45Å; F626-F685 AromaticContact CD2-CE2 3.8Å; F626-F685 HydrophobicContact CD2-CE2 3.8Å; F626-F685 AromaticContact CD2-CZ 3.7Å; F626-F685 HydrophobicContact CD2-CZ 3.7Å; F626-F685 HydrophobicContact CE2-CZ 4.36Å; F626-F685 AromaticContact CG-CE2 3.92Å; F626-F685 HydrophobicContact CG-CE2 3.92Å; F626-F685 HydrophobicContact CG-CZ 4.29Å
627A96.1Very high94.8Very high14 Ų1422.9 Ų22.912%0.11612%0.118CC..Hα-helixtrans-65-41.1168.600000111.8R623 N630 H631 Y696R623-A627 VanDerWaalsContact O-CB 3.28Å; R623-A627 WeakPolarHBondContact O-CB 3.29Å; R623-A627 PolarHBondContact O-N 3.19Å; R623-A627 VanDerWaalsContact O-N 3.11Å; A627-N630 PolarHBondContact O-N 3.01Å; A627-H631 PolarHBondContact O-N 3.41Å; A627-Y696 HydrophobicContact CB-CD1 3.9Å; A627-Y696 HydrophobicContact CB-CG 4.39Å
628F97.2Very high94.8Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-62.5-46.4171.9164.3-107.6000112.6I518 I521 F532 L571 Y624 L625 N630 H631 L632 Y696I518-F628 HydrophobicContact CB-CG 4.43Å; I518-F628 HydrophobicContact CD1-CB 4.24Å; I518-F628 HydrophobicContact CD1-CD1 3.97Å; I518-F628 HydrophobicContact CD1-CG 4.2Å; I518-F628 HydrophobicContact CG1-CD1 3.77Å; I518-F628 HydrophobicContact CG1-CE1 4.07Å; I518-F628 HydrophobicContact CG1-CG 4.05Å; I518-F628 HydrophobicContact CG2-CB 3.97Å; I518-F628 HydrophobicContact CG2-CD1 4.29Å; I518-F628 HydrophobicContact CG2-CD2 3.67Å; I518-F628 HydrophobicContact CG2-CE2 4.24Å; I518-F628 HydrophobicContact CG2-CG 3.69Å; I521-F628 HydrophobicContact CB-CE2 4.44Å; I521-F628 HydrophobicContact CB-CZ 4.02Å; I521-F628 HydrophobicContact CG2-CE2 4.25Å; I521-F628 HydrophobicContact CG2-CZ 3.72Å; F532-F628 AromaticContact CE2-CE1 3.99Å; F532-F628 HydrophobicContact CE2-CE1 3.99Å; F532-F628 HydrophobicContact CE2-CZ 4.16Å; F532-F628 AromaticContact CZ-CE1 3.95Å; F532-F628 HydrophobicContact CZ-CE1 3.95Å; F532-F628 HydrophobicContact CZ-CZ 4.3Å; L571-F628 HydrophobicContact CD2-CE1 4.33Å; Y624-F628 PolarHBondContact O-N 2.99Å; L625-F628 PolarHBondContact O-N 3.13Å; F628-N630 VanDerWaalsContact C-N 3.29Å; F628-N630 PolarHBondContact O-N 2.92Å; F628-H631 PolarHBondContact O-N 3.38Å; F628-L632 HydrophobicContact CE1-CD2 4.44Å; F628-L632 HydrophobicContact CZ-CD2 4.18Å; F628-L632 WeakPolarHBondContact O-CB 3.35Å; F628-L632 PolarHBondContact O-N 2.91Å; F628-Y696 HydrophobicContact CB-CD1 4.19Å; F628-Y696 HydrophobicContact CB-CD2 3.98Å; F628-Y696 HydrophobicContact CB-CE1 4.14Å; F628-Y696 HydrophobicContact CB-CE2 3.93Å; F628-Y696 HydrophobicContact CB-CG 4.1Å; F628-Y696 AromaticContact CD2-CE2 3.91Å; F628-Y696 HydrophobicContact CD2-CE2 3.91Å; F628-Y696 AromaticContact CD2-CZ 3.86Å; F628-Y696 HydrophobicContact CG-CE2 4.36Å
629L97.4Very high94.9Very high0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-65.7-31.7178.8-68.4177.6000112.7L625 F626 L632 S633 L646 F650 I678L625-L629 HydrophobicContact CD1-CD1 4.17Å; L625-L629 HydrophobicContact CD1-CG 4.23Å; L625-L629 HydrophobicContact CG-CD1 4.08Å; L625-L629 HydrophobicContact CG-CG 4.46Å; L625-L629 WeakPolarHBondContact O-CG 3.41Å; L625-L629 PolarHBondContact O-N 3.24Å; F626-L629 HydrophobicContact CD1-CD1 4.38Å; F626-L629 HydrophobicContact CE1-CD1 4.41Å; F626-L629 PolarHBondContact O-N 2.99Å; L629-L632 HydrophobicContact CD2-CD2 4.48Å; L629-S633 PolarHBondContact O-N 2.99Å; L629-L646 WeakPolarHBondContact O-CD1 3.25Å; L629-F650 HydrophobicContact CD1-CD1 4.3Å; L629-F650 HydrophobicContact CD1-CD2 3.98Å; L629-F650 HydrophobicContact CD1-CE1 4.47Å; L629-F650 HydrophobicContact CD1-CE2 4.17Å; L629-F650 HydrophobicContact CD1-CG 4.05Å; L629-F650 HydrophobicContact CD1-CZ 4.4Å; L629-F650 HydrophobicContact CD2-CD2 3.96Å; L629-F650 HydrophobicContact CD2-CE2 3.46Å; L629-F650 VanDerWaalsContact CD2-CE2 3.46Å; L629-F650 HydrophobicContact CD2-CZ 3.86Å; L629-F650 HydrophobicContact CG-CE2 4.47Å; L629-I678 HydrophobicContact CB-CD1 4.48Å; L629-I678 HydrophobicContact CB-CG1 4.19Å
630N97.3Very high95.1Very high26 Ų2627.8 Ų27.814%0.13914%0.14CC..Hα-helixtrans-65.9-49.9170.1-174.8-74000111F626 A627 F628 L632 S633 Q634 I678 H681F626-N630 WeakPolarHBondContact O-CB 3.44Å; F626-N630 PolarHBondContact O-N 3.39Å; A627-N630 PolarHBondContact O-N 3.01Å; F628-N630 VanDerWaalsContact C-N 3.29Å; F628-N630 PolarHBondContact O-N 2.92Å; N630-L632 VanDerWaalsContact C-N 3.34Å; N630-L632 PolarHBondContact O-N 3.5Å; N630-S633 WeakPolarHBondContact O-CB 3.46Å; N630-S633 PolarHBondContact O-N 3.18Å; N630-S633 PolarHBondContact O-OG 2.99Å; N630-Q634 PolarHBondContact O-N 2.76Å; N630-Q634 PolarHBondContact OD1-NE2 3.5Å; N630-I678 HydrophobicContact CB-CG2 4.41Å; N630-I678 WeakPolarHBondContact CB-O 3.47Å; N630-I678 PolarHBondContact ND2-O 3.01Å; N630-H681 WeakPolarHBondContact CB-CD2 3.47Å; N630-H681 WeakPolarHBondContact CB-NE2 3.43Å; N630-H681 VanDerWaalsContact CG-CD2 3.42Å; N630-H681 VanDerWaalsContact CG-NE2 3.33Å; N630-H681 PolarHBondContact ND2-CD2 3.1Å
631H96.8Very high95.2Very high10 Ų1027.3 Ų27.35%0.04614%0.137CC..Hα-helixtrans-57.9-44.6178.4-175.2-140.1000112.3N522 A627 F628 S633 Q634 Y635 Y696 K698N522-H631 PolarHBondContact OD1-ND1 2.82Å; A627-H631 PolarHBondContact O-N 3.41Å; F628-H631 PolarHBondContact O-N 3.38Å; H631-S633 PolarHBondContact O-N 2.7Å; H631-Q634 VanDerWaalsContact O-CB 3.29Å; H631-Q634 WeakPolarHBondContact O-CB 3.47Å; H631-Q634 PolarHBondContact O-N 2.74Å; H631-Y635 AromaticContact NE2-CE2 3.63Å; H631-Y696 HydrophobicContact CB-CE1 3.77Å; H631-Y696 AromaticContact ND1-CE1 4Å; H631-Y696 AromaticContact ND1-CZ 3.84Å; H631-Y696 PolarHBondContact ND1-OH 3.28Å; H631-K698 WeakPolarHBondContact NE2-CD 3.5Å
632L96.1Very high95.3Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-58.8-35.8175.7-174.267.4000112.9L526 I531 F532 F628 L629 N630 Q634 Y635 N639 L646L526-L632 HydrophobicContact CD2-CD1 3.81Å; I531-L632 HydrophobicContact CG2-CD1 4.16Å; I531-L632 HydrophobicContact CG2-CD2 4.15Å; I531-L632 HydrophobicContact CG2-CG 4.43Å; F532-L632 HydrophobicContact CD2-CD2 3.71Å; F532-L632 HydrophobicContact CE2-CD2 3.51Å; F628-L632 HydrophobicContact CE1-CD2 4.44Å; F628-L632 HydrophobicContact CZ-CD2 4.18Å; F628-L632 WeakPolarHBondContact O-CB 3.35Å; F628-L632 PolarHBondContact O-N 2.91Å; L629-L632 HydrophobicContact CD2-CD2 4.48Å; N630-L632 VanDerWaalsContact C-N 3.34Å; N630-L632 PolarHBondContact O-N 3.5Å; L632-Q634 PolarHBondContact O-N 2.99Å; L632-Y635 PolarHBondContact O-N 3.4Å; L632-N639 PolarHBondContact O-ND2 2.9Å; L632-L646 HydrophobicContact CD2-CD1 4.37Å; L632-L646 HydrophobicContact CD2-CD2 3.9Å
633S96.7Very high95.3Very high11 Ų1131.6 Ų31.68%0.07716%0.162CC..Hα-helixtrans-72.9-12.5177.378.40000114L629 N630 H631 Y635 S636L629-S633 PolarHBondContact O-N 2.99Å; N630-S633 WeakPolarHBondContact O-CB 3.46Å; N630-S633 PolarHBondContact O-N 3.18Å; N630-S633 PolarHBondContact O-OG 2.99Å; H631-S633 PolarHBondContact O-N 2.7Å; S633-Y635 PolarHBondContact O-N 2.99Å; S633-S636 WeakPolarHBondContact O-CB 3.49Å; S633-S636 PolarHBondContact O-N 2.91Å; S633-S636 PolarHBondContact O-OG 3.11Å
634Q94.9Very high95.4Very high88 Ų8835.8 Ų35.841%0.41118%0.179SC..THydrogen-bonded Turntrans-74.4-14.5174.6-62.5166.323.500112.1N630 H631 L632N630-Q634 PolarHBondContact O-N 2.76Å; N630-Q634 PolarHBondContact OD1-NE2 3.5Å; H631-Q634 VanDerWaalsContact O-CB 3.29Å; H631-Q634 WeakPolarHBondContact O-CB 3.47Å; H631-Q634 PolarHBondContact O-N 2.74Å; L632-Q634 PolarHBondContact O-N 2.99Å
635Y95.4Very high95.5Very high72 Ų7237.3 Ų37.328%0.28219%0.187SC..THydrogen-bonded Turntrans-10426173.6-61.8-94.8000112.2L526 Q527 H631 L632 S633 D637 E638 N639L526-Y635 HydrophobicContact CB-CD1 4.5Å; L526-Y635 HydrophobicContact CB-CD2 4.1Å; L526-Y635 HydrophobicContact CB-CE2 4.23Å; L526-Y635 HydrophobicContact CB-CG 4.25Å; L526-Y635 HydrophobicContact CD1-CD2 4.47Å; L526-Y635 HydrophobicContact CD1-CE2 3.82Å; L526-Y635 HydrophobicContact CD2-CD2 4.39Å; L526-Y635 HydrophobicContact CD2-CE2 4.37Å; L526-Y635 HydrophobicContact CG-CE2 4.37Å; L526-Y635 WeakPolarHBondContact O-CB 3.34Å; Q527-Y635 HydrophobicContact CG-CD1 4.35Å; H631-Y635 AromaticContact NE2-CE2 3.63Å; L632-Y635 PolarHBondContact O-N 3.4Å; S633-Y635 PolarHBondContact O-N 2.99Å; Y635-D637 WeakPolarHBondContact CA-OD1 3.43Å; Y635-D637 PolarHBondContact O-N 3.46Å; Y635-E638 PolarHBondContact O-N 2.98Å; Y635-N639 PolarHBondContact O-N 3.11Å; Y635-N639 PolarHBondContact O-ND2 2.99Å; Y635-N639 PolarHBondContact O-OD1 3.06Å
636S93.8Very high95.5Very high39 Ų3937.3 Ų37.327%0.27319%0.187SC..Hα-helixtrans-75.4-10.9-171.450.10000115.1S633 N639 M640S633-S636 WeakPolarHBondContact O-CB 3.49Å; S633-S636 PolarHBondContact O-N 2.91Å; S633-S636 PolarHBondContact O-OG 3.11Å; S636-N639 WeakPolarHBondContact CA-OD1 3.41Å; S636-M640 VanDerWaalsContact O-CA 3.26Å; S636-M640 WeakPolarHBondContact O-CA 3.41Å; S636-M640 PolarHBondContact O-N 3.12Å
637D87.6Confident95.5Very high112 Ų11237.3 Ų37.360%0.59919%0.187SC*.Hα-helixtrans-69.5-43164.649.2-6.9000112.5Y635 M640Y635-D637 WeakPolarHBondContact CA-OD1 3.43Å; Y635-D637 PolarHBondContact O-N 3.46Å; D637-M640 VanDerWaalsContact O-CE 3.28Å; D637-M640 WeakPolarHBondContact O-CE 3.48Å
638E89.8Confident95.4Very high86 Ų8639.7 Ų39.740%0.40220%0.197SC..Hα-helixtrans-81.7-55.2175.4-63.3-167.2-105.900112.1Q527 Y635 M640Q527-E638 HydrophobicContact CB-CB 4.4Å; Q527-E638 VanDerWaalsContact CD-OE2 3.27Å; Q527-E638 WeakPolarHBondContact CG-OE1 3.44Å; Q527-E638 WeakPolarHBondContact CG-OE2 3.49Å; Q527-E638 VanDerWaalsContact NE2-CD 3.25Å; Q527-E638 PolarHBondContact NE2-OE1 3.16Å; Q527-E638 PolarHBondContact NE2-OE2 2.71Å; Y635-E638 PolarHBondContact O-N 2.98Å; E638-M640 VanDerWaalsContact C-N 3.34Å; E638-M640 PolarHBondContact O-N 3.38Å
639N94.3Very high95.4Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-83.3-7.4-169.975.329.3000113.9L526 G530 I531 L632 Y635 S636 M641L526-N639 WeakPolarHBondContact O-CB 3.33Å; L526-N639 PolarHBondContact O-ND2 3.39Å; G530-N639 PolarHBondContact N-O 2.92Å; I531-N639 HydrophobicContact CG2-CB 4.41Å; L632-N639 PolarHBondContact O-ND2 2.9Å; Y635-N639 PolarHBondContact O-N 3.11Å; Y635-N639 PolarHBondContact O-ND2 2.99Å; Y635-N639 PolarHBondContact O-OD1 3.06Å; S636-N639 WeakPolarHBondContact CA-OD1 3.41Å; N639-M641 PolarHBondContact O-N 3.11Å; N639-M641 WeakPolarHBondContact OD1-CA 3.5Å; N639-M641 VanDerWaalsContact OD1-CB 3.27Å; N639-M641 WeakPolarHBondContact OD1-CB 3.33Å; N639-M641 PolarHBondContact OD1-N 3.2Å
640M95.4Very high95.4Very high91 Ų9140.8 Ų40.845%0.44820%0.204SC..  trans62.816-179.8-54-76.3154.900115Q529 S636 D637 E638 N645Q529-M640 HydrophobicContact CG-CB 4.36Å; Q529-M640 HydrophobicContact CG-CG 3.78Å; S636-M640 VanDerWaalsContact O-CA 3.26Å; S636-M640 WeakPolarHBondContact O-CA 3.41Å; S636-M640 PolarHBondContact O-N 3.12Å; D637-M640 VanDerWaalsContact O-CE 3.28Å; D637-M640 WeakPolarHBondContact O-CE 3.48Å; E638-M640 VanDerWaalsContact C-N 3.34Å; E638-M640 PolarHBondContact O-N 3.38Å; M640-N645 PolarHBondContact O-ND2 2.91Å
641M96.4Very high95.2Very high0 Ų039.5 Ų39.50%020%0.198CC..  trans-116.173.7-174.4-64.5-61.9-6000111.9I531 R533 N639 N645 L646I531-M641 HydrophobicContact CG2-CB 4.44Å; I531-M641 HydrophobicContact CG2-CG 4.05Å; I531-M641 WeakPolarHBondContact O-CE 3.41Å; I531-M641 WeakPolarHBondContact O-CG 3.49Å; R533-M641 HydrophobicContact CB-CE 3.81Å; R533-M641 HydrophobicContact CB-SD 3.57Å; R533-M641 VanDerWaalsContact CB-SD 3.57Å; R533-M641 HydrophobicContact CG-SD 4.43Å; N639-M641 PolarHBondContact O-N 3.11Å; N639-M641 WeakPolarHBondContact OD1-CA 3.5Å; N639-M641 VanDerWaalsContact OD1-CB 3.27Å; N639-M641 WeakPolarHBondContact OD1-CB 3.33Å; N639-M641 PolarHBondContact OD1-N 3.2Å; M641-N645 HydrophobicContact CE-CB 3.75Å; M641-N645 HydrophobicContact SD-CB 3.94Å; M641-L646 HydrophobicContact CB-CD2 3.99Å; M641-L646 HydrophobicContact CB-CG 4.11Å; M641-L646 HydrophobicContact CE-CD2 3.85Å; M641-L646 HydrophobicContact CE-CG 4.29Å
642D96.1Very high95Very high62 Ų6241.6 Ų41.633%0.33221%0.212SC..  trans-61.5170170.679.84.7000112.5Y644 N645 L646D642-Y644 PolarHBondContact O-N 3.41Å; D642-Y644 WeakPolarHBondContact OD1-CA 3.13Å; D642-Y644 WeakPolarHBondContact OD1-CB 3.26Å; D642-Y644 PolarHBondContact OD1-N 3.49Å; D642-N645 PolarHBondContact O-N 3.49Å; D642-N645 WeakPolarHBondContact OD1-CB 3.29Å; D642-N645 PolarHBondContact OD1-N 2.89Å; D642-L646 PolarHBondContact O-N 3.34Å
643P96.9Very high94.8Very high28 Ų2842.4 Ų42.418%0.18222%0.217CC..Hα-helixtrans-58-21.7179.8-26.535.7000114.8A647 K675 I678 I679P643-A647 WeakPolarHBondContact O-CB 3.39Å; P643-A647 PolarHBondContact O-N 3.28Å; P643-A647 VanDerWaalsContact O-N 3.13Å; P643-K675 HydrophobicContact CB-CG 4.4Å; P643-I678 HydrophobicContact CB-CB 4.47Å; P643-I678 HydrophobicContact CB-CG2 3.97Å; P643-I678 HydrophobicContact CG-CG2 4.45Å; P643-I679 HydrophobicContact CB-CD1 4.17Å; P643-I679 HydrophobicContact CB-CG1 3.83Å; P643-I679 HydrophobicContact CG-CG1 4.04Å
644Y95.9Very high94.7Very high106 Ų10641.9 Ų41.942%0.41621%0.214SC..Hα-helixtrans-83.6-43.1178.5-179.4-113.1000111.7D642 A647 I648 N671 K675D642-Y644 PolarHBondContact O-N 3.41Å; D642-Y644 WeakPolarHBondContact OD1-CA 3.13Å; D642-Y644 WeakPolarHBondContact OD1-CB 3.26Å; D642-Y644 PolarHBondContact OD1-N 3.49Å; Y644-A647 PolarHBondContact O-N 3.38Å; Y644-I648 HydrophobicContact CD1-CD1 3.94Å; Y644-I648 HydrophobicContact CE1-CD1 3.61Å; Y644-I648 WeakPolarHBondContact O-CG1 3.32Å; Y644-I648 PolarHBondContact O-N 2.79Å; Y644-N671 HydrophobicContact CE2-CB 4.47Å; Y644-K675 HydrophobicContact CD2-CD 4.04Å
645N96.9Very high94.6Very high38 Ų3837.9 Ų37.920%0.20320%0.195CC..Hα-helixtrans-62.1-42.3172.7-73-20.6000110.9M640 M641 D642 I648 C649M640-N645 PolarHBondContact O-ND2 2.91Å; M641-N645 HydrophobicContact CE-CB 3.75Å; M641-N645 HydrophobicContact SD-CB 3.94Å; D642-N645 PolarHBondContact O-N 3.49Å; D642-N645 WeakPolarHBondContact OD1-CB 3.29Å; D642-N645 PolarHBondContact OD1-N 2.89Å; N645-I648 PolarHBondContact O-N 3.47Å; N645-C649 PolarHBondContact O-N 2.97Å; N645-C649 PolarHBondContact O-SG 3.18Å; N645-C649 VanDerWaalsContact O-SG 3.38Å
646L97.3Very high94.3Very high0 Ų036.2 Ų36.20%019%0.193CC..Hα-helixtrans-63.8-41.2172.1-69.5173.2000111.7F532 L629 L632 M641 D642 I648 C649 F650 I678F532-L646 HydrophobicContact CD2-CD2 4.18Å; L629-L646 WeakPolarHBondContact O-CD1 3.25Å; L632-L646 HydrophobicContact CD2-CD1 4.37Å; L632-L646 HydrophobicContact CD2-CD2 3.9Å; M641-L646 HydrophobicContact CB-CD2 3.99Å; M641-L646 HydrophobicContact CB-CG 4.11Å; M641-L646 HydrophobicContact CE-CD2 3.85Å; M641-L646 HydrophobicContact CE-CG 4.29Å; D642-L646 PolarHBondContact O-N 3.34Å; L646-I648 PolarHBondContact O-N 2.95Å; L646-C649 PolarHBondContact O-N 2.89Å; L646-C649 VanDerWaalsContact O-N 3.13Å; L646-F650 PolarHBondContact O-N 2.96Å; L646-I678 HydrophobicContact CB-CD1 3.97Å
647A96.6Very high94Very high0 Ų035.5 Ų35.50%019%0.187CC..Hα-helixtrans-64.5-34.7176.100000113.4P643 Y644 C649 G651 N671 I674 K675 I678P643-A647 WeakPolarHBondContact O-CB 3.39Å; P643-A647 PolarHBondContact O-N 3.28Å; P643-A647 VanDerWaalsContact O-N 3.13Å; Y644-A647 PolarHBondContact O-N 3.38Å; A647-C649 VanDerWaalsContact C-N 3.3Å; A647-C649 PolarHBondContact O-N 3.33Å; A647-G651 WeakPolarHBondContact O-CA 3.43Å; A647-G651 PolarHBondContact O-N 3.42Å; A647-N671 VanDerWaalsContact CB-O 3.32Å; A647-N671 WeakPolarHBondContact CB-O 3.24Å; A647-I674 HydrophobicContact CB-CB 4.01Å; A647-I674 HydrophobicContact CB-CG2 3.89Å; A647-K675 HydrophobicContact CB-CB 3.88Å; A647-I678 HydrophobicContact CB-CD1 4.44Å
648I95.4Very high93.9Very high64 Ų6430.8 Ų30.833%0.32816%0.162SC..Hα-helixtrans-61.5-38.9171.4-71.5161.5000111.2Y644 N645 L646 P652 N671Y644-I648 HydrophobicContact CD1-CD1 3.94Å; Y644-I648 HydrophobicContact CE1-CD1 3.61Å; Y644-I648 WeakPolarHBondContact O-CG1 3.32Å; Y644-I648 PolarHBondContact O-N 2.79Å; N645-I648 PolarHBondContact O-N 3.47Å; L646-I648 PolarHBondContact O-N 2.95Å; I648-P652 WeakPolarHBondContact O-CD 3.27Å; I648-N671 WeakPolarHBondContact CG1-ND2 3.47Å
649C96.5Very high93.5Very high23 Ų2333.6 Ų33.616%0.15518%0.18CC..Hα-helixtrans-77.2-37.9-179.7-66.20000113.6F532 N645 L646 A647 T653F532-C649 HydrophobicContact CB-CB 4.31Å; N645-C649 PolarHBondContact O-N 2.97Å; N645-C649 PolarHBondContact O-SG 3.18Å; N645-C649 VanDerWaalsContact O-SG 3.38Å; L646-C649 PolarHBondContact O-N 2.89Å; L646-C649 VanDerWaalsContact O-N 3.13Å; A647-C649 VanDerWaalsContact C-N 3.3Å; A647-C649 PolarHBondContact O-N 3.33Å; C649-T653 PolarHBondContact O-OG1 3.44Å; C649-T653 VanDerWaalsContact O-OG1 3.05Å
650F96.9Very high92.8Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-94.2-22.1-177.2-82-84.7000114.5F532 K572 L625 L629 L646 T653 L654 I674F532-F650 HydrophobicContact CB-CE2 4.14Å; F532-F650 AromaticContact CD1-CE2 3.67Å; F532-F650 HydrophobicContact CD1-CE2 3.67Å; F532-F650 AromaticContact CD1-CZ 3.6Å; F532-F650 HydrophobicContact CD1-CZ 3.6Å; F532-F650 AromaticContact CD2-CE2 3.96Å; F532-F650 HydrophobicContact CD2-CE2 3.96Å; F532-F650 HydrophobicContact CD2-CZ 4.44Å; F532-F650 HydrophobicContact CE1-CE2 4.03Å; F532-F650 AromaticContact CE1-CZ 3.57Å; F532-F650 HydrophobicContact CE1-CZ 3.57Å; F532-F650 HydrophobicContact CE2-CE2 4.29Å; F532-F650 HydrophobicContact CE2-CZ 4.42Å; F532-F650 AromaticContact CG-CE2 3.64Å; F532-F650 HydrophobicContact CG-CE2 3.64Å; F532-F650 HydrophobicContact CG-CZ 4.06Å; F532-F650 HydrophobicContact CZ-CE2 4.32Å; F532-F650 HydrophobicContact CZ-CZ 4.01Å; K572-F650 HydrophobicContact CG-CE1 4.15Å; K572-F650 HydrophobicContact CG-CZ 4.12Å; L625-F650 HydrophobicContact CD1-CE1 4.5Å; L629-F650 HydrophobicContact CD1-CD1 4.3Å; L629-F650 HydrophobicContact CD1-CD2 3.98Å; L629-F650 HydrophobicContact CD1-CE1 4.47Å; L629-F650 HydrophobicContact CD1-CE2 4.17Å; L629-F650 HydrophobicContact CD1-CG 4.05Å; L629-F650 HydrophobicContact CD1-CZ 4.4Å; L629-F650 HydrophobicContact CD2-CD2 3.96Å; L629-F650 HydrophobicContact CD2-CE2 3.46Å; L629-F650 VanDerWaalsContact CD2-CE2 3.46Å; L629-F650 HydrophobicContact CD2-CZ 3.86Å; L629-F650 HydrophobicContact CG-CE2 4.47Å; L646-F650 PolarHBondContact O-N 2.96Å; F650-T653 HydrophobicContact CD1-CG2 4.44Å; F650-T653 CarbonylContact O-C 3.58Å; F650-T653 WeakPolarHBondContact O-CA 3.44Å; F650-T653 WeakPolarHBondContact O-CB 3.46Å; F650-T653 PolarHBondContact O-N 2.99Å; F650-L654 HydrophobicContact CB-CD1 3.97Å; F650-L654 HydrophobicContact CB-CG 4.19Å; F650-L654 HydrophobicContact CD1-CD1 3.95Å; F650-L654 HydrophobicContact CD1-CD2 4.15Å; F650-L654 HydrophobicContact CD1-CG 3.97Å; F650-L654 HydrophobicContact CG-CD1 4.36Å; F650-L654 WeakPolarHBondContact O-CG 3.44Å; F650-L654 PolarHBondContact O-N 2.95Å; F650-I674 HydrophobicContact CB-CG2 4.42Å
651G94Very high92.1Very high0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-52-62.417900000113.9A647 T653 L654 M655A647-G651 WeakPolarHBondContact O-CA 3.43Å; A647-G651 PolarHBondContact O-N 3.42Å; G651-T653 PolarHBondContact O-N 3.26Å; G651-T653 VanDerWaalsContact O-N 3.11Å; G651-L654 PolarHBondContact O-N 3.44Å; G651-M655 CarbonylContact O-C 3.59Å; G651-M655 PolarHBondContact O-N 3.26Å
652P91.2Very high91.5Very high54 Ų5442.9 Ų42.935%0.35123%0.234SC..Hα-helixtrans-64.5-12.7175.6-2134000114.5I648I648-P652 WeakPolarHBondContact O-CD 3.27Å
653T93Very high90.8Very high17 Ų1745.8 Ų45.810%0.10425%0.246CC..Hα-helixtrans-91.6-40.2-176.8-62.10000111.8K572 F575 R576 C649 F650 G651K572-T653 HydrophobicContact CB-CG2 4.3Å; K572-T653 WeakPolarHBondContact O-CG2 3.4Å; F575-T653 HydrophobicContact CB-CG2 4.13Å; R576-T653 HydrophobicContact CB-CG2 4.18Å; C649-T653 PolarHBondContact O-OG1 3.44Å; C649-T653 VanDerWaalsContact O-OG1 3.05Å; F650-T653 HydrophobicContact CD1-CG2 4.44Å; F650-T653 CarbonylContact O-C 3.58Å; F650-T653 WeakPolarHBondContact O-CA 3.44Å; F650-T653 WeakPolarHBondContact O-CB 3.46Å; F650-T653 PolarHBondContact O-N 2.99Å; G651-T653 PolarHBondContact O-N 3.26Å; G651-T653 VanDerWaalsContact O-N 3.11Å
654L94.6Very high90.3Very high0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-99.5-34.8-174.3-56.7-178.4000112.8F575 L582 F583 L625 F626 F650 G651F575-L654 HydrophobicContact CB-CD2 3.68Å; F575-L654 HydrophobicContact CD1-CD2 4.25Å; F575-L654 HydrophobicContact CD2-CD2 4.28Å; F575-L654 HydrophobicContact CG-CD2 3.83Å; L582-L654 HydrophobicContact CB-CD2 4.32Å; L582-L654 HydrophobicContact CD2-CD2 3.94Å; F583-L654 HydrophobicContact CD2-CB 3.78Å; F583-L654 HydrophobicContact CE2-CB 3.86Å; F583-L654 HydrophobicContact CE2-CD1 4.24Å; F583-L654 PolarHBondContact N-O 2.65Å; F583-L654 VanDerWaalsContact N-O 3.15Å; L625-L654 HydrophobicContact CD2-CD1 3.89Å; L625-L654 HydrophobicContact CD2-CD2 3.97Å; F626-L654 HydrophobicContact CE1-CD1 4.45Å; F626-L654 HydrophobicContact CE2-CD1 4.24Å; F626-L654 HydrophobicContact CZ-CD1 3.69Å; F650-L654 HydrophobicContact CB-CD1 3.97Å; F650-L654 HydrophobicContact CB-CG 4.19Å; F650-L654 HydrophobicContact CD1-CD1 3.95Å; F650-L654 HydrophobicContact CD1-CD2 4.15Å; F650-L654 HydrophobicContact CD1-CG 3.97Å; F650-L654 HydrophobicContact CG-CD1 4.36Å; F650-L654 WeakPolarHBondContact O-CG 3.44Å; F650-L654 PolarHBondContact O-N 2.95Å; G651-L654 PolarHBondContact O-N 3.44Å
655M92.1Very high89.8Confident3 Ų347.9 Ų47.92%0.01527%0.272CS..SBendtrans-128.769.2-175.5-166168.286.200110.5F583 F588 L591 L592 G651 V670 I673F583-M655 HydrophobicContact CB-CB 3.99Å; F583-M655 HydrophobicContact CB-CG 3.85Å; F583-M655 HydrophobicContact CB-SD 4.19Å; F583-M655 HydrophobicContact CD2-CB 4.05Å; F583-M655 HydrophobicContact CG-CB 4.21Å; F583-M655 HydrophobicContact CG-CG 4.35Å; F583-M655 HydrophobicContact CG-SD 4.31Å; F588-M655 HydrophobicContact CD2-CE 4.25Å; F588-M655 HydrophobicContact CD2-CG 3.6Å; F588-M655 HydrophobicContact CD2-SD 4.23Å; F588-M655 HydrophobicContact CE2-CE 4.07Å; F588-M655 HydrophobicContact CE2-CG 3.81Å; L591-M655 HydrophobicContact CB-SD 4.28Å; L591-M655 HydrophobicContact CD1-SD 3.62Å; L592-M655 HydrophobicContact CD1-CE 3.72Å; G651-M655 CarbonylContact O-C 3.59Å; G651-M655 PolarHBondContact O-N 3.26Å; M655-V670 HydrophobicContact CB-CG1 4.48Å; M655-V670 HydrophobicContact CE-CB 4.17Å; M655-V670 HydrophobicContact CE-CG1 4.17Å; M655-V670 HydrophobicContact CE-CG2 3.8Å; M655-I673 HydrophobicContact CE-CB 4.38Å; M655-I673 HydrophobicContact CE-CG2 4.21Å
656P89.4Confident89.3Confident38 Ų3846.6 Ų46.625%0.24727%0.266CS..PPolyproline II helixtrans-67134.6-179.728.9-35000111.4P581P581-P656 HydrophobicContact CB-CG 3.77Å; P581-P656 HydrophobicContact CG-CG 3.59Å
657T86.7Confident88.9Confident23 Ų2350.8 Ų50.814%0.14129%0.285CS..PPolyproline II helixtrans-57.4130.8179.3-47.10000111.4F588 Q661 C666F588-T657 HydrophobicContact CE1-CG2 4.18Å; F588-T657 HydrophobicContact CZ-CG2 3.93Å; T657-Q661 HydrophobicContact CG2-CB 3.85Å; T657-C666 HydrophobicContact CG2-CB 4.03Å
658P85.6Confident88.6Confident13 Ų1353.9 Ų53.98%0.08431%0.311CS..PPolyproline II helixtrans-61.8148.2172.1-23.134.1000112.1K585 F588 T660 Q661K585-P658 HydrophobicContact CB-CG 4.37Å; K585-P658 HydrophobicContact CG-CG 4.46Å; F588-P658 HydrophobicContact CB-CG 3.89Å; F588-P658 HydrophobicContact CD1-CG 4.05Å; F588-P658 HydrophobicContact CD2-CG 4.32Å; F588-P658 VanDerWaalsContact CG-CD 3.48Å; F588-P658 HydrophobicContact CG-CG 3.85Å; P658-T660 PolarHBondContact O-N 3.07Å; P658-Q661 PolarHBondContact O-N 2.93Å
659D82.1Confident88.5Confident146 Ų14655.1 Ų55.178%0.78132%0.315SS*.THydrogen-bonded Turntrans-64.6-5.4-173.8-45-97.5000113.8K585K585-D659 IonicContact NZ-OD2 3.74Å; K585-D659 PolarHBondContact NZ-OD2 3.08Å
660T79.8Confident88.3Confident128 Ų12854.2 Ų54.279%0.78531%0.309SS*.THydrogen-bonded Turntrans-93.1-1.9175.453.40000114P658P658-T660 PolarHBondContact O-N 3.07Å
661Q80.8Confident88.2Confident65 Ų6554.6 Ų54.630%0.30431%0.311SS..SBendtrans-131.2146.9-177.2-69.4-177.8-8.300111.8N589 T657 P658 Q663N589-Q661 PolarHBondContact OD1-NE2 3.03Å; T657-Q661 HydrophobicContact CG2-CB 3.85Å; P658-Q661 PolarHBondContact O-N 2.93Å; Q661-Q663 PolarHBondContact O-N 2.97Å
662D83.4Confident88.2Confident92 Ų9256.6 Ų56.649%0.49232%0.32SS..  trans-70.8123.9177.2165.162000111V664 S665 C666D662-V664 VanDerWaalsContact C-N 3.29Å; D662-V664 PolarHBondContact O-N 2.96Å; D662-V664 PolarHBondContact OD2-N 3.22Å; D662-S665 WeakPolarHBondContact CB-OG 3.19Å; D662-S665 PolarHBondContact O-OG 2.92Å; D662-S665 VanDerWaalsContact OD2-CB 3.22Å; D662-S665 WeakPolarHBondContact OD2-CB 3.43Å; D662-S665 PolarHBondContact OD2-N 3.35Å; D662-S665 PolarHBondContact OD2-OG 3.38Å; D662-C666 PolarHBondContact O-N 3.35Å; D662-C666 PolarHBondContact O-SG 3.29Å
663Q82.3Confident88.4Confident123 Ų12354 Ų5458%0.57530%0.304SS*.Hα-helixtrans-63-35.4-175.6-170.4175.530.800112.4Q661 Q667Q661-Q663 PolarHBondContact O-N 2.97Å; Q663-Q667 WeakPolarHBondContact O-CB 3.32Å; Q663-Q667 PolarHBondContact O-N 3.13Å
664V84.9Confident88.6Confident109 Ų10953.2 Ų53.266%0.66130%0.299SS*.Hα-helixtrans-72.2-47.7-174.4-175.60000111.1D662 C666 Q667D662-V664 VanDerWaalsContact C-N 3.29Å; D662-V664 PolarHBondContact O-N 2.96Å; D662-V664 PolarHBondContact OD2-N 3.22Å; V664-C666 VanDerWaalsContact C-N 3.28Å; V664-C666 PolarHBondContact O-N 2.94Å; V664-Q667 PolarHBondContact O-N 2.95Å
665S85.4Confident88.7Confident69 Ų6955.8 Ų55.848%0.48331%0.31SS..Hα-helixtrans-63.4-31.917657.20000113.1D662 H669D662-S665 WeakPolarHBondContact CB-OG 3.19Å; D662-S665 PolarHBondContact O-OG 2.92Å; D662-S665 VanDerWaalsContact OD2-CB 3.22Å; D662-S665 WeakPolarHBondContact OD2-CB 3.43Å; D662-S665 PolarHBondContact OD2-N 3.35Å; D662-S665 PolarHBondContact OD2-OG 3.38Å; S665-H669 PolarHBondContact O-ND1 3.07Å
666C88.1Confident88.8Confident11 Ų1155.7 Ų55.77%0.07431%0.31CS..Hα-helixtrans-81.9-19.2177.1-61.70000113.6F588 T657 D662 V664 A668 H669 V670F588-C666 HydrophobicContact CE1-CB 4.32Å; F588-C666 HydrophobicContact CZ-CB 4.14Å; T657-C666 HydrophobicContact CG2-CB 4.03Å; D662-C666 PolarHBondContact O-N 3.35Å; D662-C666 PolarHBondContact O-SG 3.29Å; V664-C666 VanDerWaalsContact C-N 3.28Å; V664-C666 PolarHBondContact O-N 2.94Å; C666-A668 PolarHBondContact O-N 3.4Å; C666-H669 WeakPolarHBondContact O-CB 3.13Å; C666-H669 PolarHBondContact O-N 2.99Å; C666-H669 VanDerWaalsContact O-N 3.15Å; C666-V670 WeakPolarHBondContact O-CG2 3.49Å; C666-V670 PolarHBondContact O-N 2.85Å
667Q88.8Confident89.2Confident88 Ų8853.9 Ų53.941%0.41130%0.298SS..Hα-helixtrans-61.3-47.6-170.2-170.6177.69.600113.7Q663 V664 H669 V670 N671Q663-Q667 WeakPolarHBondContact O-CB 3.32Å; Q663-Q667 PolarHBondContact O-N 3.13Å; V664-Q667 PolarHBondContact O-N 2.95Å; Q667-H669 VanDerWaalsContact C-N 3.25Å; Q667-H669 PolarHBondContact O-N 3.3Å; Q667-V670 PolarHBondContact O-N 2.86Å; Q667-N671 PolarHBondContact O-N 3.42Å; Q667-N671 PolarHBondContact O-OD1 3.25Å
668A90.3Very high89.7Confident65 Ų6552.8 Ų52.854%0.53729%0.291SS..Hα-helixtrans-61.9-37.3177.800000111.8C666 N671 E672C666-A668 PolarHBondContact O-N 3.4Å; A668-N671 PolarHBondContact O-N 3.44Å; A668-E672 PolarHBondContact O-N 3.03Å; A668-E672 VanDerWaalsContact O-N 3.08Å
669H92Very high90.2Very high91 Ų9155.5 Ų55.542%0.42130%0.304SS..Hα-helixtrans-67.2-44.5177.8-64.7104.7000112.1L592 I595 S665 C666 Q667 E672 I673L592-H669 HydrophobicContact CD2-CB 4.38Å; L592-H669 HydrophobicContact CG-CB 4.16Å; I595-H669 HydrophobicContact CD1-CB 3.4Å; I595-H669 VanDerWaalsContact CD1-O 3.27Å; I595-H669 WeakPolarHBondContact CD1-O 3.38Å; S665-H669 PolarHBondContact O-ND1 3.07Å; C666-H669 WeakPolarHBondContact O-CB 3.13Å; C666-H669 PolarHBondContact O-N 2.99Å; C666-H669 VanDerWaalsContact O-N 3.15Å; Q667-H669 VanDerWaalsContact C-N 3.25Å; Q667-H669 PolarHBondContact O-N 3.3Å; H669-E672 PolarHBondContact O-N 2.68Å; H669-I673 PolarHBondContact O-N 3.43Å
670V93.8Very high90.8Very high4 Ų450.7 Ų50.72%0.02428%0.277CS..Hα-helixtrans-58.2-47.3173.2167.60000110.9F588 L592 M655 C666 Q667 E672 I673 I674F588-V670 HydrophobicContact CE2-CG2 3.75Å; F588-V670 HydrophobicContact CZ-CG2 3.59Å; L592-V670 HydrophobicContact CD1-CG2 4.43Å; M655-V670 HydrophobicContact CB-CG1 4.48Å; M655-V670 HydrophobicContact CE-CB 4.17Å; M655-V670 HydrophobicContact CE-CG1 4.17Å; M655-V670 HydrophobicContact CE-CG2 3.8Å; C666-V670 WeakPolarHBondContact O-CG2 3.49Å; C666-V670 PolarHBondContact O-N 2.85Å; Q667-V670 PolarHBondContact O-N 2.86Å; V670-E672 PolarHBondContact O-N 3.49Å; V670-I673 PolarHBondContact O-N 2.94Å; V670-I674 PolarHBondContact O-N 2.9Å
671N94.3Very high91.5Very high8 Ų845.8 Ų45.84%0.04325%0.245CC..Hα-helixtrans-62.4-43.1-179.2-64.4-8.6000111.8Y644 A647 I648 Q667 A668 I673 I674 K675Y644-N671 HydrophobicContact CE2-CB 4.47Å; A647-N671 VanDerWaalsContact CB-O 3.32Å; A647-N671 WeakPolarHBondContact CB-O 3.24Å; I648-N671 WeakPolarHBondContact CG1-ND2 3.47Å; Q667-N671 PolarHBondContact O-N 3.42Å; Q667-N671 PolarHBondContact O-OD1 3.25Å; A668-N671 PolarHBondContact O-N 3.44Å; N671-I673 VanDerWaalsContact C-N 3.33Å; N671-I673 PolarHBondContact O-N 3.34Å; N671-I674 PolarHBondContact O-N 3.28Å; N671-K675 VanDerWaalsContact O-CB 3.26Å; N671-K675 WeakPolarHBondContact O-CB 3.31Å; N671-K675 PolarHBondContact O-N 3.09Å
672E94.1Very high92.1Very high42 Ų4250.2 Ų50.220%0.19627%0.266CS..Hα-helixtrans-66.6-33.4179.8-17361.9-16600112.4R603 A668 H669 V670 K675 T676R603-E672 IonicContact NH1-OE1 3.88Å; R603-E672 PolarHBondContact NH1-OE1 3.35Å; R603-E672 VanDerWaalsContact NH1-OE1 3.08Å; A668-E672 PolarHBondContact O-N 3.03Å; A668-E672 VanDerWaalsContact O-N 3.08Å; H669-E672 PolarHBondContact O-N 2.68Å; V670-E672 PolarHBondContact O-N 3.49Å; E672-K675 VanDerWaalsContact CD-NZ 3.26Å; E672-K675 IonicContact OE1-NZ 2.76Å; E672-K675 PolarHBondContact OE1-NZ 2.85Å; E672-K675 WeakPolarHBondContact OE2-CD 3.21Å; E672-K675 IonicContact OE2-NZ 3.62Å; E672-K675 PolarHBondContact OE2-NZ 3.35Å; E672-T676 WeakPolarHBondContact O-CB 3.25Å; E672-T676 PolarHBondContact O-N 3.04Å; E672-T676 PolarHBondContact O-OG1 3.09Å
673I95.3Very high92.5Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-66.1-50.6171.7-70.7-65.9000111.3L591 C594 I595 I607 M655 H669 V670 N671 K675 T676 I677L591-I673 HydrophobicContact CB-CG2 4.48Å; L591-I673 VanDerWaalsContact O-CD1 3.23Å; L591-I673 WeakPolarHBondContact O-CD1 3.27Å; C594-I673 HydrophobicContact CB-CD1 3.97Å; I595-I673 HydrophobicContact CD1-CD1 4.32Å; I595-I673 HydrophobicContact CD1-CG1 3.85Å; I595-I673 HydrophobicContact CG1-CD1 3.62Å; I595-I673 HydrophobicContact CG1-CG1 3.7Å; I607-I673 HydrophobicContact CD1-CD1 3.91Å; M655-I673 HydrophobicContact CE-CB 4.38Å; M655-I673 HydrophobicContact CE-CG2 4.21Å; H669-I673 PolarHBondContact O-N 3.43Å; V670-I673 PolarHBondContact O-N 2.94Å; N671-I673 VanDerWaalsContact C-N 3.33Å; N671-I673 PolarHBondContact O-N 3.34Å; I673-K675 VanDerWaalsContact C-N 3.33Å; I673-K675 PolarHBondContact O-N 2.72Å; I673-T676 WeakPolarHBondContact O-CB 3.49Å; I673-T676 PolarHBondContact O-N 3.13Å; I673-T676 VanDerWaalsContact O-N 3.13Å; I673-I677 HydrophobicContact CG2-CD1 3.84Å; I673-I677 WeakPolarHBondContact O-CG1 3.45Å; I673-I677 PolarHBondContact O-N 3.3Å
674I96.8Very high93.1Very high0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-63.2-39.5179.9-64.3-50.2000111.4F583 F626 A647 F650 V670 N671 I677 I678F583-I674 HydrophobicContact CD2-CD1 4.29Å; F583-I674 HydrophobicContact CE2-CD1 3.67Å; F583-I674 HydrophobicContact CZ-CD1 3.94Å; F626-I674 HydrophobicContact CE1-CG2 4.15Å; F626-I674 HydrophobicContact CZ-CD1 4.29Å; A647-I674 HydrophobicContact CB-CB 4.01Å; A647-I674 HydrophobicContact CB-CG2 3.89Å; F650-I674 HydrophobicContact CB-CG2 4.42Å; V670-I674 PolarHBondContact O-N 2.9Å; N671-I674 PolarHBondContact O-N 3.28Å; I674-I677 HydrophobicContact CD1-CD1 4.32Å; I674-I677 PolarHBondContact O-N 3.39Å; I674-I678 HydrophobicContact CG2-CD1 4.01Å; I674-I678 HydrophobicContact CG2-CG1 4.47Å; I674-I678 WeakPolarHBondContact O-CG1 3.37Å; I674-I678 PolarHBondContact O-N 3.45Å
675K96.2Very high93.6Very high53 Ų5336.9 Ų36.923%0.2320%0.195CC..Hα-helixtrans-58.8-45.9171.4171-174.9148.3-144.80111.7P643 Y644 A647 N671 E672 I673 I677 I678 I679P643-K675 HydrophobicContact CB-CG 4.4Å; Y644-K675 HydrophobicContact CD2-CD 4.04Å; A647-K675 HydrophobicContact CB-CB 3.88Å; N671-K675 VanDerWaalsContact O-CB 3.26Å; N671-K675 WeakPolarHBondContact O-CB 3.31Å; N671-K675 PolarHBondContact O-N 3.09Å; E672-K675 VanDerWaalsContact CD-NZ 3.26Å; E672-K675 IonicContact OE1-NZ 2.76Å; E672-K675 PolarHBondContact OE1-NZ 2.85Å; E672-K675 WeakPolarHBondContact OE2-CD 3.21Å; E672-K675 IonicContact OE2-NZ 3.62Å; E672-K675 PolarHBondContact OE2-NZ 3.35Å; I673-K675 VanDerWaalsContact C-N 3.33Å; I673-K675 PolarHBondContact O-N 2.72Å; K675-I677 VanDerWaalsContact C-N 3.27Å; K675-I677 PolarHBondContact O-N 3.01Å; K675-I678 PolarHBondContact O-N 3.11Å; K675-I679 HydrophobicContact CG-CD1 3.76Å; K675-I679 WeakPolarHBondContact O-CG1 3.26Å; K675-I679 PolarHBondContact O-N 3.45Å
676T95.7Very high93.8Very high2 Ų234 Ų341%0.01218%0.175CC..Hα-helixtrans-59-40.1176-55.50000110.9R603 I607 E672 I673 H680R603-T676 HydrophobicContact CG-CG2 4.13Å; I607-T676 HydrophobicContact CD1-CG2 3.86Å; E672-T676 WeakPolarHBondContact O-CB 3.25Å; E672-T676 PolarHBondContact O-N 3.04Å; E672-T676 PolarHBondContact O-OG1 3.09Å; I673-T676 WeakPolarHBondContact O-CB 3.49Å; I673-T676 PolarHBondContact O-N 3.13Å; I673-T676 VanDerWaalsContact O-N 3.13Å; T676-H680 PolarHBondContact O-N 2.78Å
677I96.9Very high93.5Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-70.9-39178.9-62166.7000112.1F583 I607 L611 F626 I673 I674 K675 H681 I684 F685F583-I677 HydrophobicContact CE1-CD1 3.74Å; F583-I677 HydrophobicContact CZ-CD1 3.74Å; I607-I677 HydrophobicContact CD1-CG1 4.44Å; I607-I677 HydrophobicContact CG2-CD1 4.05Å; I607-I677 HydrophobicContact CG2-CG1 3.89Å; L611-I677 HydrophobicContact CD1-CD1 4.37Å; F626-I677 HydrophobicContact CB-CG2 4.4Å; F626-I677 HydrophobicContact CD1-CB 4.27Å; F626-I677 HydrophobicContact CD1-CG2 3.56Å; F626-I677 HydrophobicContact CD2-CG2 3.82Å; F626-I677 HydrophobicContact CE1-CB 4.07Å; F626-I677 HydrophobicContact CE1-CG2 3.65Å; F626-I677 HydrophobicContact CE2-CG2 3.92Å; F626-I677 HydrophobicContact CG-CG2 3.65Å; F626-I677 HydrophobicContact CZ-CB 4.43Å; F626-I677 HydrophobicContact CZ-CG2 3.83Å; I673-I677 HydrophobicContact CG2-CD1 3.84Å; I673-I677 WeakPolarHBondContact O-CG1 3.45Å; I673-I677 PolarHBondContact O-N 3.3Å; I674-I677 HydrophobicContact CD1-CD1 4.32Å; I674-I677 PolarHBondContact O-N 3.39Å; K675-I677 VanDerWaalsContact C-N 3.27Å; K675-I677 PolarHBondContact O-N 3.01Å; I677-H681 WeakPolarHBondContact O-CA 3.32Å; I677-H681 WeakPolarHBondContact O-CB 3.41Å; I677-H681 PolarHBondContact O-N 3.18Å; I677-H681 VanDerWaalsContact O-N 3.13Å; I677-I684 HydrophobicContact CB-CD1 4.4Å; I677-I684 HydrophobicContact CG1-CD1 4.17Å; I677-F685 HydrophobicContact CG2-CE2 3.65Å; I677-F685 HydrophobicContact CG2-CZ 3.8Å
678I97Very high93.1Very high0 Ų035.6 Ų35.60%019%0.194CC..Hα-helixtrans-62.3-48.3173.7-67.2165.5000110.3F626 L629 N630 P643 L646 A647 I674 K675 H681F626-I678 HydrophobicContact CD1-CG1 3.76Å; F626-I678 HydrophobicContact CE1-CG1 3.89Å; L629-I678 HydrophobicContact CB-CD1 4.48Å; L629-I678 HydrophobicContact CB-CG1 4.19Å; N630-I678 HydrophobicContact CB-CG2 4.41Å; N630-I678 WeakPolarHBondContact CB-O 3.47Å; N630-I678 PolarHBondContact ND2-O 3.01Å; P643-I678 HydrophobicContact CB-CB 4.47Å; P643-I678 HydrophobicContact CB-CG2 3.97Å; P643-I678 HydrophobicContact CG-CG2 4.45Å; L646-I678 HydrophobicContact CB-CD1 3.97Å; A647-I678 HydrophobicContact CB-CD1 4.44Å; I674-I678 HydrophobicContact CG2-CD1 4.01Å; I674-I678 HydrophobicContact CG2-CG1 4.47Å; I674-I678 WeakPolarHBondContact O-CG1 3.37Å; I674-I678 PolarHBondContact O-N 3.45Å; K675-I678 PolarHBondContact O-N 3.11Å; I678-H681 PolarHBondContact O-CD2 3.38Å
679I95.7Very high92.7Very high70 Ų7041.7 Ų41.736%0.35921%0.209SC..Hα-helixtrans-68.3-41-175.8-65.6169.8000111.7P643 K675P643-I679 HydrophobicContact CB-CD1 4.17Å; P643-I679 HydrophobicContact CB-CG1 3.83Å; P643-I679 HydrophobicContact CG-CG1 4.04Å; K675-I679 HydrophobicContact CG-CD1 3.76Å; K675-I679 WeakPolarHBondContact O-CG1 3.26Å; K675-I679 PolarHBondContact O-N 3.45Å
680H95.1Very high92.3Very high45 Ų4542.7 Ų42.721%0.20821%0.214CC..THydrogen-bonded Turntrans-109.428.7-173.1-61.1-64000114.1A604 T676 E682 T683 I684A604-H680 HydrophobicContact CB-CB 3.76Å; T676-H680 PolarHBondContact O-N 2.78Å; H680-E682 VanDerWaalsContact C-N 3.27Å; H680-E682 PolarHBondContact O-N 2.9Å; H680-T683 WeakPolarHBondContact O-CB 3.44Å; H680-T683 PolarHBondContact O-N 2.88Å; H680-I684 HydrophobicContact CB-CD1 3.85Å; H680-I684 HydrophobicContact CB-CG1 4.33Å; H680-I684 WeakPolarHBondContact O-CB 3.28Å; H680-I684 WeakPolarHBondContact O-CG1 3.48Å; H680-I684 PolarHBondContact O-N 3.3Å
681H94.7Very high92Very high24 Ų2443.1 Ų43.111%0.11122%0.216CC..Hα-helixtrans-55-38.3-174.372.294.2000113.5F626 N630 I677 I678 T683 I684 F685F626-H681 HydrophobicContact CB-CB 4.08Å; N630-H681 WeakPolarHBondContact CB-CD2 3.47Å; N630-H681 WeakPolarHBondContact CB-NE2 3.43Å; N630-H681 VanDerWaalsContact CG-CD2 3.42Å; N630-H681 VanDerWaalsContact CG-NE2 3.33Å; N630-H681 PolarHBondContact ND2-CD2 3.1Å; I677-H681 WeakPolarHBondContact O-CA 3.32Å; I677-H681 WeakPolarHBondContact O-CB 3.41Å; I677-H681 PolarHBondContact O-N 3.18Å; I677-H681 VanDerWaalsContact O-N 3.13Å; I678-H681 PolarHBondContact O-CD2 3.38Å; H681-T683 PolarHBondContact O-N 3.42Å; H681-I684 PolarHBondContact O-N 2.99Å; H681-F685 HydrophobicContact CB-CD2 4.05Å; H681-F685 HydrophobicContact CB-CE2 4.32Å; H681-F685 WeakPolarHBondContact O-CD2 3.4Å; H681-F685 PolarHBondContact O-N 3.23Å
682E92.8Very high91.5Very high159 Ų15951.2 Ų51.274%0.74325%0.253SS*.Hα-helixtrans-67.6-32.4177.4-54.3-172.9149.500113.2H680H680-E682 VanDerWaalsContact C-N 3.27Å; H680-E682 PolarHBondContact O-N 2.9Å
683T93.5Very high91.1Very high35 Ų3550.8 Ų50.822%0.21526%0.26CS..Hα-helixtrans-75.4-31.3174-57.10000111.1Y601 A604 L605 R608 H680 H681Y601-T683 HydrophobicContact CD2-CG2 4.28Å; Y601-T683 HydrophobicContact CE2-CG2 3.83Å; A604-T683 HydrophobicContact CB-CG2 4.24Å; L605-T683 HydrophobicContact CD2-CG2 4Å; R608-T683 WeakPolarHBondContact CD-O 3.5Å; R608-T683 PolarHBondContact NH1-O 3.02Å; H680-T683 WeakPolarHBondContact O-CB 3.44Å; H680-T683 PolarHBondContact O-N 2.88Å; H681-T683 PolarHBondContact O-N 3.42Å
684I94.8Very high90.7Very high2 Ų253.3 Ų53.31%0.0128%0.276CS..Hα-helixtrans-89.5-40.9-169.2-71.8167.3000113.3A604 I607 R608 L611 I677 H680 H681A604-I684 HydrophobicContact CB-CD1 3.91Å; A604-I684 HydrophobicContact CB-CG1 3.85Å; A604-I684 WeakPolarHBondContact O-CG1 3.41Å; I607-I684 HydrophobicContact CG2-CD1 4.34Å; I607-I684 HydrophobicContact CG2-CG2 4.11Å; R608-I684 WeakPolarHBondContact CD-O 3.44Å; R608-I684 VanDerWaalsContact CG-O 3.25Å; R608-I684 WeakPolarHBondContact CG-O 3.35Å; L611-I684 HydrophobicContact CD1-CG2 3.75Å; I677-I684 HydrophobicContact CB-CD1 4.4Å; I677-I684 HydrophobicContact CG1-CD1 4.17Å; H680-I684 HydrophobicContact CB-CD1 3.85Å; H680-I684 HydrophobicContact CB-CG1 4.33Å; H680-I684 WeakPolarHBondContact O-CB 3.28Å; H680-I684 WeakPolarHBondContact O-CG1 3.48Å; H680-I684 PolarHBondContact O-N 3.3Å; H681-I684 PolarHBondContact O-N 2.99Å
685F94.4Very high90.3Very high6 Ų656.8 Ų56.83%0.02629%0.294CS..SBendtrans-99.8144.7-178.7-62.7-69.7000111.5L611 L619 M622 R623 F626 I677 H681L611-F685 HydrophobicContact CD1-CE1 3.79Å; L611-F685 HydrophobicContact CD1-CZ 3.9Å; L619-F685 HydrophobicContact CD2-CD1 4.24Å; L619-F685 HydrophobicContact CD2-CE1 4.22Å; M622-F685 HydrophobicContact CB-CD1 4.25Å; M622-F685 HydrophobicContact CB-CE1 3.48Å; M622-F685 VanDerWaalsContact CB-CE1 3.48Å; M622-F685 HydrophobicContact CB-CZ 3.78Å; M622-F685 HydrophobicContact CG-CE1 4.3Å; M622-F685 HydrophobicContact SD-CE1 3.85Å; M622-F685 HydrophobicContact SD-CZ 4.3Å; R623-F685 HydrophobicContact CB-CB 3.99Å; R623-F685 HydrophobicContact CB-CD1 4.45Å; R623-F685 HydrophobicContact CB-CG 4.13Å; R623-F685 HydrophobicContact CG-CB 3.9Å; R623-F685 HydrophobicContact CG-CG 4.48Å; F626-F685 HydrophobicContact CB-CD2 4.38Å; F626-F685 HydrophobicContact CB-CE2 3.68Å; F626-F685 HydrophobicContact CB-CZ 4.45Å; F626-F685 AromaticContact CD2-CE2 3.8Å; F626-F685 HydrophobicContact CD2-CE2 3.8Å; F626-F685 AromaticContact CD2-CZ 3.7Å; F626-F685 HydrophobicContact CD2-CZ 3.7Å; F626-F685 HydrophobicContact CE2-CZ 4.36Å; F626-F685 AromaticContact CG-CE2 3.92Å; F626-F685 HydrophobicContact CG-CE2 3.92Å; F626-F685 HydrophobicContact CG-CZ 4.29Å; I677-F685 HydrophobicContact CG2-CE2 3.65Å; I677-F685 HydrophobicContact CG2-CZ 3.8Å; H681-F685 HydrophobicContact CB-CD2 4.05Å; H681-F685 HydrophobicContact CB-CE2 4.32Å; H681-F685 WeakPolarHBondContact O-CD2 3.4Å; H681-F685 PolarHBondContact O-N 3.23Å
686P89.4Confident90Very high8 Ų855.1 Ų55.15%0.05229%0.287CS..  trans-66146.6178.7-2033000113L612 R623 E690 L691L612-P686 HydrophobicContact CD2-CG 3.78Å; R623-P686 WeakPolarHBondContact CD-O 3.41Å; R623-P686 PolarHBondContact NH1-O 3.42Å; P686-E690 HydrophobicContact CB-CB 3.55Å; P686-L691 HydrophobicContact CB-CB 3.74Å; P686-L691 HydrophobicContact CB-CD2 4.5Å; P686-L691 HydrophobicContact CG-CB 4.29Å; P686-L691 HydrophobicContact CG-CD2 4.28Å
687D82.8Confident89.5Confident71 Ų7160.9 Ų60.938%0.3831%0.313SS..  trans-72.6-174.817986.3-23.5000112.8R623 K689 E690 L691R623-D687 PolarHBondContact NH1-O 3.46Å; D687-K689 PolarHBondContact O-N 3.1Å; D687-K689 WeakPolarHBondContact OD1-CA 3.39Å; D687-K689 WeakPolarHBondContact OD1-CB 3.35Å; D687-K689 PolarHBondContact OD1-N 3.11Å; D687-K689 WeakPolarHBondContact OD2-CD 3.45Å; D687-E690 PolarHBondContact OD1-N 3.38Å; D687-L691 PolarHBondContact O-N 2.95Å
688A79.6Confident88.8Confident62 Ų6265.8 Ų65.851%0.51234%0.335SS..THydrogen-bonded Turntrans-60.3-24.517700000114.1I695A688-I695 HydrophobicContact CB-CD1 3.6Å
689K81.8Confident86.9Confident193 Ų19371 Ų7184%0.83937%0.37SS*.THydrogen-bonded Turntrans-93.4-34.9-173.3-56.3167.7-172.7162.60111.2D687D687-K689 PolarHBondContact O-N 3.1Å; D687-K689 WeakPolarHBondContact OD1-CA 3.39Å; D687-K689 WeakPolarHBondContact OD1-CB 3.35Å; D687-K689 PolarHBondContact OD1-N 3.11Å; D687-K689 WeakPolarHBondContact OD2-CD 3.45Å
690E83.6Confident84.7Confident113 Ų11370.2 Ų70.253%0.52837%0.365SS..THydrogen-bonded Turntrans-78.5-33.2173.5-72.8-175-147.500113R608 P686 D687R608-E690 IonicContact CZ-OE2 2.73Å; R608-E690 IonicContact NH2-OE1 3.06Å; R608-E690 PolarHBondContact NH2-OE1 2.88Å; R608-E690 IonicContact NH2-OE2 3.43Å; R608-E690 PolarHBondContact NH2-OE2 3.47Å; P686-E690 HydrophobicContact CB-CB 3.55Å; D687-E690 PolarHBondContact OD1-N 3.38Å
691L87.2Confident81.9Confident12 Ų1272 Ų726%0.06339%0.388CS..SBendtrans-141101.8-177.8-176.761.4000112.6R616 L619 I620 R623 P686 D687R616-L691 HydrophobicContact CB-CD1 4.23Å; R616-L691 HydrophobicContact CG-CD1 4.28Å; L619-L691 HydrophobicContact CB-CD2 4.11Å; I620-L691 HydrophobicContact CD1-CD1 4.43Å; I620-L691 HydrophobicContact CG1-CD1 4.29Å; I620-L691 HydrophobicContact CG1-CD2 3.94Å; I620-L691 HydrophobicContact CG1-CG 4Å; R623-L691 PolarHBondContact NH1-O 3.02Å; R623-L691 PolarHBondContact NH2-O 2.95Å; R623-L691 VanDerWaalsContact NH2-O 3.17Å; P686-L691 HydrophobicContact CB-CB 3.74Å; P686-L691 HydrophobicContact CB-CD2 4.5Å; P686-L691 HydrophobicContact CG-CB 4.29Å; P686-L691 HydrophobicContact CG-CD2 4.28Å; D687-L691 PolarHBondContact O-N 2.95Å
692E83.9Confident78.9Confident179 Ų17975.3 Ų75.384%0.83643%0.429SS*.  trans-61.6138.1172-173.4178.2-162.200111.9I620I620-E692 WeakPolarHBondContact CD1-O 3.26Å
693G85.1Confident75.9Confident32 Ų3271 Ų7133%0.3343%0.426SS..SBendtrans139.4170.6-177.300000111.3R623R623-G693 PolarHBondContact NH2-O 3.46Å
694P88Confident73.2Confident54 Ų5477 Ų7735%0.35146%0.457SS..  trans-54.8152.3-178.7-28.537.1000114A509 I510 R623A509-P694 VanDerWaalsContact CB-CD 3.48Å; A509-P694 HydrophobicContact CB-CG 3.88Å; I510-P694 HydrophobicContact CG1-CB 3.94Å; I510-P694 HydrophobicContact CG1-CG 4.1Å; R623-P694 PolarHBondContact NH2-O 2.93Å
695I87.6Confident70Confident73 Ų7387.6 Ų87.637%0.37450%0.499SS..  trans-125.1147.9172.7-66.8178.4000106.6A688A688-I695 HydrophobicContact CB-CD1 3.6Å
696Y90.4Very high67Low17 Ų1792.8 Ų92.87%0.06753%0.534CS..  trans-81.9118.9175166.7-98000109.2I518 N522 Y624 A627 F628 H631I518-Y696 HydrophobicContact CG2-CD2 3.84Å; I518-Y696 HydrophobicContact CG2-CE2 3.72Å; N522-Y696 PolarHBondContact OD1-OH 3.47Å; Y624-Y696 HydrophobicContact CE1-CD2 4.4Å; Y624-Y696 HydrophobicContact CE2-CD2 4.46Å; A627-Y696 HydrophobicContact CB-CD1 3.9Å; A627-Y696 HydrophobicContact CB-CG 4.39Å; F628-Y696 HydrophobicContact CB-CD1 4.19Å; F628-Y696 HydrophobicContact CB-CD2 3.98Å; F628-Y696 HydrophobicContact CB-CE1 4.14Å; F628-Y696 HydrophobicContact CB-CE2 3.93Å; F628-Y696 HydrophobicContact CB-CG 4.1Å; F628-Y696 AromaticContact CD2-CE2 3.91Å; F628-Y696 HydrophobicContact CD2-CE2 3.91Å; F628-Y696 AromaticContact CD2-CZ 3.86Å; F628-Y696 HydrophobicContact CG-CE2 4.36Å; H631-Y696 HydrophobicContact CB-CE1 3.77Å; H631-Y696 AromaticContact ND1-CE1 4Å; H631-Y696 AromaticContact ND1-CZ 3.84Å; H631-Y696 PolarHBondContact ND1-OH 3.28Å
697E85Confident64Low123 Ų123101.6 Ų101.658%0.57557%0.574SS**  trans-99.1138175.9-65.5172.8-172.200109.5C699 M700E697-C699 VanDerWaalsContact C-N 3.27Å; E697-C699 PolarHBondContact O-N 3.45Å; E697-M700 HydrophobicContact CB-CE 4.2Å; E697-M700 WeakPolarHBondContact O-CG 3.47Å
698K82.2Confident61.5Low104 Ų104103.5 Ų103.545%0.45259%0.594SS.*SBendtrans-64.4-33.8179.7-63.5-174.5176.8-169.50112.1N522 H631 M700N522-K698 PolarHBondContact ND2-O 3.13Å; H631-K698 WeakPolarHBondContact NE2-CD 3.5Å; K698-M700 PolarHBondContact O-N 2.97Å
699C57Low59.5Low109 Ų109106.1 Ų106.174%0.73661%0.605SS**  trans-101.364.8-174.3-58.80000112E697 A701E697-C699 VanDerWaalsContact C-N 3.27Å; E697-C699 PolarHBondContact O-N 3.45Å; C699-A701 PolarHBondContact O-N 3.37Å
700M49Very low57.4Low54 Ų54107 Ų10727%0.26661%0.605SS.*  trans-72.564.6175.8-77.4-74.6177.500112.7R519 Y624 E697 K698R519-M700 HydrophobicContact CG-CB 4.37Å; Y624-M700 HydrophobicContact CE2-CE 4.47Å; E697-M700 HydrophobicContact CB-CE 4.2Å; E697-M700 WeakPolarHBondContact O-CG 3.47Å; K698-M700 PolarHBondContact O-N 2.97Å
701A36.4Very low54.8Low83 Ų83107.6 Ų107.669%0.68662%0.621SS**  trans-138.669.8-177.300000111.9C699 G703C699-A701 PolarHBondContact O-N 3.37Å; A701-G703 PolarHBondContact O-N 2.58Å
702G32.5Very low52Low93 Ų93115.4 Ų115.496%0.95966%0.658SS**  trans-8585.517600000113.2
703G30.4Very low49.4Very low67 Ų67116.3 Ų116.369%0.69166%0.661SS**SBendtrans15198.1168.600000115.4A701A701-G703 PolarHBondContact O-N 2.58Å
704D36.6Very low46.6Very low161 Ų161118.3 Ų118.386%0.86168%0.682SS**  trans41.384162.3-64-7.3000118.4
705Y27Very low43.7Very low226 Ų226120.8 Ų120.889%0.88671%0.707SS**  -157.5135.5122.1-129.2-104.6000111.7
706C31.2Very low40.9Very low114 Ų114124.8 Ų124.877%0.7773%0.729SS**  trans-1.4132.5-179.3-55.80000121.3
707E28Very low38.1Very low193 Ų193132.2 Ų132.290%0.90276%0.764SS**  trans-59.4151.8156.8-64.4173.9117.600112
708S28.6Very low35.4Very low112 Ų112134.3 Ų134.378%0.78377%0.774SS**  trans-113.6118167.7-173.50000108.9Y710S708-Y710 PolarHBondContact O-N 3.09Å; S708-Y710 VanDerWaalsContact O-N 3.07Å
709P38.7Very low32.9Very low116 Ų116134.5 Ų134.575%0.75378%0.783SS**  trans-91.259.3-15936.9-39000114.2
710Y36.3Very low31.6Very low211 Ų211136.5 Ų136.583%0.82779%0.787SS**  trans-143.688.4168.9-88.3-69.1000113S708S708-Y710 PolarHBondContact O-N 3.09Å; S708-Y710 VanDerWaalsContact O-N 3.07Å
711S30Very low30.6Very low126 Ų126140.2 Ų140.288%0.88181%0.807SS**  trans-165.857.7163.3-80.10000110.8
712E28.7Very low30.2Very low177 Ų177144.6 Ų144.683%0.82781%0.814SS**  trans-74.4124.7169.1-176.8-175.4-159.700110.1
713H29.9Very low30Very low197 Ų197144.3 Ų144.391%0.91281%0.811SS**  trans-141.1110.6156.1-98.748.1000107.4
714G25.7Very low29.8Very low74 Ų74144.5 Ų144.576%0.76381%0.813SS**  trans-82162.5-162.900000116.7
715A27.6Very low29.4Very low106 Ų106144.1 Ų144.188%0.87682%0.817SS**  trans-132.2151.3158.300000108.6
716L28.8Very low29.4Very low158 Ų158142 Ų14283%0.82782%0.815SS**  trans-84.9162.2-167.6-73.7157.9000114.1
717E29.8Very low29.4Very low173 Ų173142.9 Ų142.981%0.80882%0.817SS**  trans69.8138.6160.8-71.1161.9-143.300117.9
718E29.3Very low29.3Very low166 Ų166143 Ų14378%0.77682%0.817SS**  cis-167.5160.1-20.4-135.1-175.2-154.900110.6
719V29.1Very low29.3Very low108 Ų108144.2 Ų144.266%0.65582%0.82SS**  trans72.3114.5155.1176.60000121.5
720D29.9Very low28.9Very low151 Ų151144 Ų14481%0.80782%0.821SS**  trans52.9146.4140.3-61.2-0.9000122.7
721N29.1Very low28.9Very low132 Ų132141.4 Ų141.471%0.70682%0.816SS**  cis-154.8166.15.5-155.82.4000113.8
722E27.5Very low29.1Very low175 Ų175143.5 Ų143.582%0.81882%0.818SS**  trans59.6113.5162-53.6-150.8168.600121.9
723G27.1Very low29.7Very low87 Ų87143 Ų14390%0.89782%0.816SS**  122.771.4110.200000120
724G26.6Very low30.4Very low72 Ų72137 Ų13774%0.74281%0.807SS**  trans-163.1127.5165.600000113.2
725T28.6Very low32.3Very low152 Ų152141.4 Ų141.493%0.93381%0.808SS**  trans-83121.8-174.5-33.10000112.3
726E27.8Very low34.4Very low183 Ų183139.2 Ų139.286%0.85578%0.784SS**  trans-80.8156.4175.1-62178.7148.700112.8
727T29.4Very low37.2Very low131 Ų131134.5 Ų134.580%0.80476%0.76SS**  trans-123.2121.2169.2500000110
728H27.8Very low40.1Very low197 Ų197131.6 Ų131.691%0.91275%0.746SS**  trans-59.8136.5-179.5-65.4-112.2000113.1
729T28.7Very low43.1Very low137 Ų137123.7 Ų123.784%0.8471%0.709SS**  trans-133.4113.6153.449.90000107.7
730S29Very low46.2Very low111 Ų111121.8 Ų121.878%0.77670%0.695SS**  trans-81.5158.8178.353.80000112
731E36.2Very low49.2Very low156 Ų156114.7 Ų114.773%0.72966%0.657SS**  trans-67.1162.4178.3-52.890.1157.800113.3E733E731-E733 HydrophobicContact CB-CG 4.32Å
732D33.9Very low52.2Low170 Ų170113.4 Ų113.491%0.90965%0.645SS**  trans-140.897.5146.1-163.931.4000105.9
733E42.3Very low55.1Low167 Ų167109.8 Ų109.878%0.7863%0.627SS**PPolyproline II helixtrans-78.5145.2-179.2-63.6-172.4118.700110.3E731 E735E731-E733 HydrophobicContact CB-CG 4.32Å; E733-E735 PolarHBondContact O-N 3.34Å
734G44.9Very low58.2Low71 Ų71109.7 Ų109.773%0.73261%0.605SS**PPolyproline II helixtrans-67.2127.8170.300000110.6
735E64.5Low61.4Low166 Ų166107.1 Ų107.178%0.77657%0.574SS**PPolyproline II helixtrans-56.2132.9179.5-72.3-165.9146.200111.4E733E733-E735 PolarHBondContact O-N 3.34Å
736P71.3Confident64.4Low60 Ų60105.3 Ų105.339%0.3956%0.562SS.*PPolyproline II helixtrans-75.4130.7-17531.3-36.4000111.6L762 L763 Y764P736-L762 HydrophobicContact CB-CD1 3.72Å; P736-L762 HydrophobicContact CB-CD2 4.2Å; P736-L762 HydrophobicContact CB-CG 3.8Å; P736-L762 HydrophobicContact CG-CD1 3.97Å; P736-L762 HydrophobicContact CG-CD2 4.25Å; P736-L762 HydrophobicContact CG-CG 4.28Å; P736-L763 CarbonylContact C-O 3.53Å; P736-L763 VanDerWaalsContact CA-O 3.3Å; P736-L763 WeakPolarHBondContact CA-O 3.47Å; P736-Y764 HydrophobicContact CB-CD1 3.75Å; P736-Y764 HydrophobicContact CB-CE1 3.71Å; P736-Y764 HydrophobicContact CG-CE1 4.47Å
737I87.9Confident67.3Low60 Ų6097.5 Ų97.531%0.30853%0.531SS..EExtended strand (participates in β ladder)trans-88.3127.4-167.8-43173.7000110.3L763 W772 V790I737-L763 HydrophobicContact CB-CB 4.45Å; I737-L763 PolarHBondContact N-O 3.45Å; I737-L763 PolarHBondContact O-N 3.46Å; I737-W772 HydrophobicContact CD1-CH2 4.29Å; I737-W772 HydrophobicContact CD1-CZ3 4.09Å; I737-V790 HydrophobicContact CG2-CG1 3.48Å; I737-V790 VanDerWaalsContact CG2-CG1 3.48Å
738E91.1Very high69.8Low112 Ų112101.7 Ų101.752%0.52353%0.532SS..EExtended strand (participates in β ladder)trans-75.3138.7174-68.2-157.7173.100112.3L762 Q791E738-L762 HydrophobicContact CG-CD1 4.17Å; E738-Q791 PolarHBondContact O-N 3.29Å
739A93Very high72.5Confident0 Ų094.9 Ų94.90%051%0.506CS..EExtended strand (participates in β ladder)trans-141.3147.3176.800000111.4L761 L763 I788 V789 V790A739-L761 PolarHBondContact N-O 3.03Å; A739-L761 WeakPolarHBondContact O-CB 3.5Å; A739-L761 PolarHBondContact O-N 3.42Å; A739-L763 HydrophobicContact CB-CD1 3.68Å; A739-L763 HydrophobicContact CB-CD2 4.44Å; A739-L763 HydrophobicContact CB-CG 3.98Å; A739-I788 HydrophobicContact CB-CB 4.45Å; A739-I788 HydrophobicContact CB-CD1 4.05Å; A739-V789 CarbonylContact C-O 3.58Å; A739-V789 VanDerWaalsContact CA-O 3.22Å; A739-V789 WeakPolarHBondContact CA-O 3.4Å; A739-V789 WeakPolarHBondContact CB-O 3.42Å; A739-V790 HydrophobicContact CB-CG2 4.49Å
740I93.3Very high74.8Confident68 Ų6894.7 Ų94.735%0.34951%0.51SS..EExtended strand (participates in β ladder)trans-111.1132.1179.6-60.9-176.8000110.6K742 A759 I788 V789 Q791I740-K742 PolarHBondContact O-N 2.93Å; I740-A759 WeakPolarHBondContact CA-O 3.43Å; I740-I788 CarbonylContact O-C 3.57Å; I740-I788 WeakPolarHBondContact O-CA 3.36Å; I740-V789 PolarHBondContact N-O 3.16Å; I740-V789 PolarHBondContact O-N 2.84Å; I740-Q791 VanDerWaalsContact CD1-NE2 3.28Å
741A94.3Very high77.5Confident2 Ų297.9 Ų97.92%0.01751%0.506CS..EExtended strand (participates in β ladder)trans-60.9116.2174.400000112.2F755 K756 K757 G758 A759 L761 Y787A741-F755 HydrophobicContact CB-CD2 3.46Å; A741-F755 VanDerWaalsContact CB-CD2 3.46Å; A741-F755 HydrophobicContact CB-CE2 3.79Å; A741-F755 HydrophobicContact CB-CG 4.46Å; A741-K756 WeakPolarHBondContact CB-O 3.48Å; A741-K757 CarbonylContact O-C 3.59Å; A741-K757 WeakPolarHBondContact O-CA 3.49Å; A741-G758 PolarHBondContact O-N 3.28Å; A741-A759 HydrophobicContact CB-CB 4.29Å; A741-A759 PolarHBondContact N-O 2.94Å; A741-L761 HydrophobicContact CB-CD1 4.13Å; A741-Y787 CarbonylContact C-O 3.59Å
742K92.1Very high80.2Confident104 Ų10492.1 Ų92.145%0.45248%0.478SS..SBendtrans-76.9-27.6177.9-167.2173.9-176.5168.70112.8I740 K757 Y787 V789I740-K742 PolarHBondContact O-N 2.93Å; K742-K757 WeakPolarHBondContact O-CD 3.29Å; K742-K757 WeakPolarHBondContact O-CE 3.12Å; K742-K757 WeakPolarHBondContact O-CG 3.29Å; K742-Y787 WeakPolarHBondContact CB-O 3.35Å; K742-Y787 PolarHBondContact N-O 2.99Å; K742-V789 HydrophobicContact CB-CG2 4.3Å; K742-V789 HydrophobicContact CD-CG2 3.99Å; K742-V789 HydrophobicContact CG-CG2 4.34Å
743F88.4Confident83Confident99 Ų9984.5 Ų84.543%0.43444%0.438SS..SBendtrans-141.6162.8-178.4-56.1-70.2000110.8Y787F743-Y787 HydrophobicContact CB-CD1 3.89Å; F743-Y787 HydrophobicContact CB-CE1 4.39Å; F743-Y787 HydrophobicContact CD2-CD1 4.45Å; F743-Y787 PolarHBondContact N-O 3.22Å
744D90.7Very high85.4Confident85 Ų8579.5 Ų79.546%0.45542%0.421SS..  trans-67.7136.9166.4-83.625.6000109.3K756 K757D744-K756 WeakPolarHBondContact OD1-CA 3.11Å; D744-K756 IonicContact OD2-NZ 2.73Å; D744-K756 PolarHBondContact OD2-NZ 2.92Å; D744-K757 WeakPolarHBondContact OD1-CB 3.31Å; D744-K757 PolarHBondContact OD1-N 2.63Å
745Y93.7Very high87.8Confident19 Ų1976.4 Ų76.48%0.07539%0.388CS..BIsolated β-bridgetrans-136.7136178.1-174.2-105.5000111.5E752 L753 S754 F755 W771 P784 Y787Y745-E752 HydrophobicContact CE1-CB 4.46Å; Y745-E752 PolarHBondContact OH-OE2 2.97Å; Y745-L753 WeakPolarHBondContact CD1-O 3.48Å; Y745-S754 WeakPolarHBondContact O-CA 3.33Å; Y745-F755 HydrophobicContact CD1-CD1 4.4Å; Y745-F755 AromaticContact CD1-CE1 3.81Å; Y745-F755 HydrophobicContact CD1-CE1 3.81Å; Y745-F755 AromaticContact CD1-CZ 3.98Å; Y745-F755 HydrophobicContact CD1-CZ 3.98Å; Y745-F755 HydrophobicContact CG-CE1 4.33Å; Y745-F755 HydrophobicContact CG-CE2 4.41Å; Y745-F755 HydrophobicContact CG-CZ 4.05Å; Y745-F755 PolarHBondContact N-O 2.83Å; Y745-F755 PolarHBondContact O-N 2.97Å; Y745-W771 WeakPolarHBondContact OH-CH2 3.46Å; Y745-P784 HydrophobicContact CD1-CG 3.8Å; Y745-P784 HydrophobicContact CD2-CG 3.92Å; Y745-P784 HydrophobicContact CE1-CG 3.66Å; Y745-P784 HydrophobicContact CE2-CG 3.79Å; Y745-P784 HydrophobicContact CG-CG 3.94Å; Y745-Y787 AromaticContact CD2-CD1 3.67Å; Y745-Y787 HydrophobicContact CD2-CD1 3.67Å; Y745-Y787 HydrophobicContact CD2-CD2 4.21Å; Y745-Y787 AromaticContact CD2-CE1 3.7Å; Y745-Y787 HydrophobicContact CD2-CE1 3.7Å; Y745-Y787 HydrophobicContact CD2-CE2 4.23Å; Y745-Y787 AromaticContact CD2-CG 3.96Å; Y745-Y787 HydrophobicContact CD2-CG 3.96Å; Y745-Y787 AromaticContact CD2-CZ 3.99Å; Y745-Y787 HydrophobicContact CE2-CE2 4.44Å; Y745-Y787 HydrophobicContact CG-CD1 4.13Å; Y745-Y787 HydrophobicContact CG-CG 4.35Å
746V92.7Very high89.2Confident113 Ų11375.1 Ų75.169%0.68538%0.379SS*.  trans-123.7116.6177.4-178.20000107.3
747G88.5Confident90.2Very high19 Ų1978.9 Ų78.920%0.19639%0.39CS..  trans-63.3140.9178.800000111.8E752 S754G747-E752 VanDerWaalsContact CA-CB 3.44Å; G747-S754 PolarHBondContact N-OG 2.99Å
748R82.1Confident90.1Very high219 Ų21978.8 Ų78.883%0.82640%0.403SS*.SBendtrans-95.1-19.5-176.8-58.7176.8178.3173.30.7112.8E752R748-E752 WeakPolarHBondContact CB-OE2 3.42Å; R748-E752 PolarHBondContact N-OE2 3.37Å
749S84.3Confident90.2Very high55 Ų5574.4 Ų74.439%0.38539%0.386SS..SBendtrans-124.4167.5171.8710000111.2R751 E752S749-R751 PolarHBondContact O-N 2.92Å; S749-R751 VanDerWaalsContact O-N 3.16Å; S749-R751 PolarHBondContact OG-N 2.94Å; S749-E752 WeakPolarHBondContact CB-OE1 3.43Å; S749-E752 PolarHBondContact N-OE1 2.95Å; S749-E752 PolarHBondContact O-N 3.23Å; S749-E752 VanDerWaalsContact O-N 3.15Å; S749-E752 PolarHBondContact OG-OE1 3.36Å
750S75.9Confident90.2Very high132 Ų13277.4 Ų77.492%0.92341%0.407SS*.THydrogen-bonded Turntrans-67.2-6.5174.250.70000114.5
751R86.6Confident90.2Very high179 Ų17974.2 Ų74.268%0.67539%0.391SS*.THydrogen-bonded Turntrans-92.6-12.9173.2-69.3-176.2173.3-176.7-3.9113.2S749 G781 L782S749-R751 PolarHBondContact O-N 2.92Å; S749-R751 VanDerWaalsContact O-N 3.16Å; S749-R751 PolarHBondContact OG-N 2.94Å; R751-G781 CarbonylContact O-C 3.53Å; R751-G781 WeakPolarHBondContact O-CA 3.41Å; R751-L782 HydrophobicContact CB-CD1 4.5Å; R751-L782 PolarHBondContact O-N 2.86Å
752E93.3Very high90.2Very high34 Ų3476.7 Ų76.716%0.15940%0.403CS..BIsolated β-bridgetrans-97.7121.7-175-69.4158.5-112.700110.9Y745 G747 R748 S749 S754 W771Y745-E752 HydrophobicContact CE1-CB 4.46Å; Y745-E752 PolarHBondContact OH-OE2 2.97Å; G747-E752 VanDerWaalsContact CA-CB 3.44Å; R748-E752 WeakPolarHBondContact CB-OE2 3.42Å; R748-E752 PolarHBondContact N-OE2 3.37Å; S749-E752 WeakPolarHBondContact CB-OE1 3.43Å; S749-E752 PolarHBondContact N-OE1 2.95Å; S749-E752 PolarHBondContact O-N 3.23Å; S749-E752 VanDerWaalsContact O-N 3.15Å; S749-E752 PolarHBondContact OG-OE1 3.36Å; E752-S754 PolarHBondContact O-N 3.14Å; E752-W771 HydrophobicContact CG-CH2 3.73Å; E752-W771 HydrophobicContact CG-CZ3 3.83Å
753L92.4Very high90.2Very high11 Ų1171.7 Ų71.76%0.05838%0.382CS..PPolyproline II helixtrans-72.8125.7-179.3-70.7178000111.2Y745 F755 G774 H776 I779 L782 V783Y745-L753 WeakPolarHBondContact CD1-O 3.48Å; L753-F755 HydrophobicContact CB-CD1 4.41Å; L753-F755 WeakPolarHBondContact O-CD1 3.17Å; L753-F755 WeakPolarHBondContact O-CE1 3.47Å; L753-G774 VanDerWaalsContact CD1-O 3.27Å; L753-G774 WeakPolarHBondContact CD1-O 3.38Å; L753-H776 HydrophobicContact CB-CB 4.49Å; L753-H776 HydrophobicContact CD1-CB 3.96Å; L753-I779 HydrophobicContact CD2-CB 4Å; L753-I779 HydrophobicContact CD2-CG2 3.78Å; L753-I779 WeakPolarHBondContact CD2-O 3.22Å; L753-L782 PolarHBondContact N-O 3.12Å; L753-V783 HydrophobicContact CB-CG2 4.37Å; L753-V783 HydrophobicContact CD1-CG2 3.82Å
754S93.6Very high90.2Very high61 Ų6171.4 Ų71.443%0.42738%0.378SS..PPolyproline II helixtrans-87.8131.2172.6-61.60000110.7Y745 G747 E752 H776Y745-S754 WeakPolarHBondContact O-CA 3.33Å; G747-S754 PolarHBondContact N-OG 2.99Å; E752-S754 PolarHBondContact O-N 3.14Å; S754-H776 PolarHBondContact O-CE1 3.37Å; S754-H776 VanDerWaalsContact O-CE1 3.22Å; S754-H776 PolarHBondContact O-ND1 2.85Å
755F94.6Very high90Very high7 Ų773.7 Ų73.73%0.03139%0.386CS..BIsolated β-bridgetrans-150.5162.1-176.952.2-100.1000112.2A741 Y745 L753 A759 L761 H776 V783 P784 I788A741-F755 HydrophobicContact CB-CD2 3.46Å; A741-F755 VanDerWaalsContact CB-CD2 3.46Å; A741-F755 HydrophobicContact CB-CE2 3.79Å; A741-F755 HydrophobicContact CB-CG 4.46Å; Y745-F755 HydrophobicContact CD1-CD1 4.4Å; Y745-F755 AromaticContact CD1-CE1 3.81Å; Y745-F755 HydrophobicContact CD1-CE1 3.81Å; Y745-F755 AromaticContact CD1-CZ 3.98Å; Y745-F755 HydrophobicContact CD1-CZ 3.98Å; Y745-F755 HydrophobicContact CG-CE1 4.33Å; Y745-F755 HydrophobicContact CG-CE2 4.41Å; Y745-F755 HydrophobicContact CG-CZ 4.05Å; Y745-F755 PolarHBondContact N-O 2.83Å; Y745-F755 PolarHBondContact O-N 2.97Å; L753-F755 HydrophobicContact CB-CD1 4.41Å; L753-F755 WeakPolarHBondContact O-CD1 3.17Å; L753-F755 WeakPolarHBondContact O-CE1 3.47Å; F755-A759 HydrophobicContact CB-CB 4.31Å; F755-L761 HydrophobicContact CB-CD2 4.04Å; F755-L761 HydrophobicContact CD1-CD1 4.07Å; F755-L761 HydrophobicContact CD1-CD2 3.98Å; F755-L761 HydrophobicContact CD2-CD1 4.05Å; F755-L761 HydrophobicContact CE1-CD1 4.1Å; F755-L761 HydrophobicContact CE2-CD1 4.05Å; F755-L761 HydrophobicContact CG-CD1 4.05Å; F755-L761 HydrophobicContact CG-CD2 4.05Å; F755-L761 HydrophobicContact CZ-CD1 4.07Å; F755-H776 VanDerWaalsContact CB-CE1 3.45Å; F755-H776 WeakPolarHBondContact CB-CE1 3.48Å; F755-V783 HydrophobicContact CE1-CG1 3.87Å; F755-V783 HydrophobicContact CZ-CG1 4.05Å; F755-P784 HydrophobicContact CZ-CG 4.34Å; F755-I788 HydrophobicContact CE2-CG2 4.25Å; F755-I788 HydrophobicContact CZ-CG2 4.06Å
756K93.4Very high89.7Confident138 Ų13877.9 Ų77.960%0.640%0.402SS*.  trans-108.6155.1177.2-73.8-171.8164.7-78.30111.4A741 D744 G758 A759A741-K756 WeakPolarHBondContact CB-O 3.48Å; D744-K756 WeakPolarHBondContact OD1-CA 3.11Å; D744-K756 IonicContact OD2-NZ 2.73Å; D744-K756 PolarHBondContact OD2-NZ 2.92Å; K756-G758 PolarHBondContact O-N 3.37Å; K756-A759 WeakPolarHBondContact O-CB 3.31Å; K756-A759 PolarHBondContact O-N 3.33Å
757K92.6Very high89Confident140 Ų14074.9 Ų74.961%0.60939%0.389SS*.THydrogen-bonded Turntrans-51.6128.2173.4-178.7171.6-175.21720110.5A741 K742 D744A741-K757 CarbonylContact O-C 3.59Å; A741-K757 WeakPolarHBondContact O-CA 3.49Å; K742-K757 WeakPolarHBondContact O-CD 3.29Å; K742-K757 WeakPolarHBondContact O-CE 3.12Å; K742-K757 WeakPolarHBondContact O-CG 3.29Å; D744-K757 WeakPolarHBondContact OD1-CB 3.31Å; D744-K757 PolarHBondContact OD1-N 2.63Å
758G86.3Confident88.7Confident57 Ų5776.5 Ų76.559%0.58840%0.398SS*.THydrogen-bonded Turntrans86.9-1.5-175.900000115.3A741 K756A741-G758 PolarHBondContact O-N 3.28Å; K756-G758 PolarHBondContact O-N 3.37Å
759A92.4Very high88.1Confident21 Ų2174 Ų7417%0.17440%0.395CS..  trans-66.9139.4167.300000110.6I740 A741 F755 K756I740-A759 WeakPolarHBondContact CA-O 3.43Å; A741-A759 HydrophobicContact CB-CB 4.29Å; A741-A759 PolarHBondContact N-O 2.94Å; F755-A759 HydrophobicContact CB-CB 4.31Å; K756-A759 WeakPolarHBondContact O-CB 3.31Å; K756-A759 PolarHBondContact O-N 3.33Å
760S92.9Very high88.3Confident63 Ų6376.4 Ų76.444%0.44140%0.404SS..EExtended strand (participates in β ladder)trans-83142.5166.5-166.70000110
761L93.8Very high89.1Confident1 Ų173.4 Ų73.41%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-136.9136-172.1-59.7168.1000107.2A739 A741 F755 H776 V783 I788A739-L761 PolarHBondContact N-O 3.03Å; A739-L761 WeakPolarHBondContact O-CB 3.5Å; A739-L761 PolarHBondContact O-N 3.42Å; A741-L761 HydrophobicContact CB-CD1 4.13Å; F755-L761 HydrophobicContact CB-CD2 4.04Å; F755-L761 HydrophobicContact CD1-CD1 4.07Å; F755-L761 HydrophobicContact CD1-CD2 3.98Å; F755-L761 HydrophobicContact CD2-CD1 4.05Å; F755-L761 HydrophobicContact CE1-CD1 4.1Å; F755-L761 HydrophobicContact CE2-CD1 4.05Å; F755-L761 HydrophobicContact CG-CD1 4.05Å; F755-L761 HydrophobicContact CG-CD2 4.05Å; F755-L761 HydrophobicContact CZ-CD1 4.07Å; L761-H776 HydrophobicContact CD2-CB 3.57Å; L761-H776 VanDerWaalsContact CD2-CD2 3.47Å; L761-H776 WeakPolarHBondContact CD2-CD2 3.42Å; L761-V783 HydrophobicContact CD1-CG1 3.93Å; L761-I788 HydrophobicContact CD1-CG2 3.41Å; L761-I788 VanDerWaalsContact CD1-CG2 3.41Å
762L93.1Very high89.5Confident53 Ų5366.2 Ų66.228%0.27735%0.345SS..EExtended strand (participates in β ladder)trans-109.3117.8-176.1-173.166.6000108.9P736 E738 Y764 G774 R775P736-L762 HydrophobicContact CB-CD1 3.72Å; P736-L762 HydrophobicContact CB-CD2 4.2Å; P736-L762 HydrophobicContact CB-CG 3.8Å; P736-L762 HydrophobicContact CG-CD1 3.97Å; P736-L762 HydrophobicContact CG-CD2 4.25Å; P736-L762 HydrophobicContact CG-CG 4.28Å; E738-L762 HydrophobicContact CG-CD1 4.17Å; L762-Y764 HydrophobicContact CD2-CE1 4.27Å; L762-Y764 HydrophobicContact CG-CE1 4.42Å; L762-G774 CarbonylContact O-C 3.35Å; L762-G774 WeakPolarHBondContact O-CA 3.38Å; L762-R775 HydrophobicContact CB-CB 4.41Å; L762-R775 PolarHBondContact N-O 2.94Å; L762-R775 VanDerWaalsContact N-O 3.09Å; L762-R775 PolarHBondContact O-N 2.93Å
763L93.4Very high89.4Confident0 Ų069.2 Ų69.20%036%0.359CS..EExtended strand (participates in β ladder)trans-103.4135-171.8-48.7-179000111.1P736 I737 A739 W772 V783 I788 V790P736-L763 CarbonylContact C-O 3.53Å; P736-L763 VanDerWaalsContact CA-O 3.3Å; P736-L763 WeakPolarHBondContact CA-O 3.47Å; I737-L763 HydrophobicContact CB-CB 4.45Å; I737-L763 PolarHBondContact N-O 3.45Å; I737-L763 PolarHBondContact O-N 3.46Å; A739-L763 HydrophobicContact CB-CD1 3.68Å; A739-L763 HydrophobicContact CB-CD2 4.44Å; A739-L763 HydrophobicContact CB-CG 3.98Å; L763-W772 HydrophobicContact CB-CD2 4.47Å; L763-W772 HydrophobicContact CB-CE3 3.91Å; L763-W772 HydrophobicContact CB-CZ3 4.47Å; L763-W772 HydrophobicContact CD1-CB 4.37Å; L763-W772 HydrophobicContact CD1-CD2 3.76Å; L763-W772 HydrophobicContact CD1-CE3 3.9Å; L763-W772 HydrophobicContact CD1-CG 3.98Å; L763-W772 HydrophobicContact CD1-CZ3 4.4Å; L763-W772 HydrophobicContact CD2-CB 4.02Å; L763-W772 HydrophobicContact CD2-CG 4.48Å; L763-W772 HydrophobicContact CG-CE3 4.5Å; L763-V783 HydrophobicContact CD2-CB 4.23Å; L763-V783 HydrophobicContact CD2-CG1 4.2Å; L763-V783 HydrophobicContact CD2-CG2 4.29Å; L763-I788 HydrophobicContact CD1-CD1 3.7Å; L763-I788 HydrophobicContact CD2-CD1 4.28Å; L763-V790 HydrophobicContact CD1-CG2 3.99Å
764Y87.6Confident89.5Confident92 Ų9268.7 Ų68.736%0.36136%0.357SS..EExtended strand (participates in β ladder)trans-102-51.8-179.6-59.2-59.4000112.1P736 L762 E773 R775P736-Y764 HydrophobicContact CB-CD1 3.75Å; P736-Y764 HydrophobicContact CB-CE1 3.71Å; P736-Y764 HydrophobicContact CG-CE1 4.47Å; L762-Y764 HydrophobicContact CD2-CE1 4.27Å; L762-Y764 HydrophobicContact CG-CE1 4.42Å; Y764-E773 PolarHBondContact N-O 2.76Å; Y764-R775 HydrophobicContact CE2-CB 3.86Å; Y764-R775 WeakPolarHBondContact OH-CD 3.4Å; Y764-R775 PolarHBondContact OH-NE 2.81Å; Y764-R775 PolarHBondContact OH-NH1 3.49Å
765Q86.6Confident89.4Confident133 Ų13370.7 Ų70.762%0.62136%0.355SS*.EExtended strand (participates in β ladder)trans-148.3152.1-178.2-171.3166.2105.400111A767 W772 E773Q765-A767 PolarHBondContact O-N 2.9Å; Q765-W772 CarbonylContact O-C 3.57Å; Q765-W772 WeakPolarHBondContact O-CA 3.38Å; Q765-E773 PolarHBondContact N-O 3.48Å; Q765-E773 PolarHBondContact O-N 2.86Å
766R87.9Confident89.3Confident108 Ų10871.4 Ų71.441%0.40836%0.358SS..  trans-86.294.5175.5-171.3168-170.9150.5-0.6110.5S768 E769 W772 H785R766-S768 VanDerWaalsContact C-N 3.28Å; R766-S768 WeakPolarHBondContact CG-O 3.35Å; R766-S768 PolarHBondContact NE-O 3.28Å; R766-S768 PolarHBondContact O-N 3.28Å; R766-E769 PolarHBondContact NH2-O 2.97Å; R766-W772 HydrophobicContact CB-CD2 3.97Å; R766-W772 HydrophobicContact CB-CE3 3.82Å; R766-W772 HydrophobicContact CB-CH2 4.16Å; R766-W772 HydrophobicContact CB-CZ2 4.28Å; R766-W772 HydrophobicContact CB-CZ3 3.92Å; R766-W772 HydrophobicContact CG-CD2 4.13Å; R766-W772 HydrophobicContact CG-CE3 4.47Å; R766-W772 HydrophobicContact CG-CZ2 4.26Å; R766-H785 PolarHBondContact NH2-CD2 2.81Å; R766-H785 PolarHBondContact NH2-NE2 3.23Å
767A77.8Confident89Confident50 Ų5071.5 Ų71.541%0.41337%0.365SS..  trans-63.6-28.4-178.700000113.8Q765 W771 E773 L782Q765-A767 PolarHBondContact O-N 2.9Å; A767-W771 PolarHBondContact N-O 3.02Å; A767-E773 HydrophobicContact CB-CG 4.11Å; A767-L782 HydrophobicContact CB-CD2 4Å
768S82.8Confident88.5Confident53 Ų5367.7 Ų67.737%0.37137%0.366SS..SBendtrans-159.5-179.6170.763.10000111.9R766 D770 W771R766-S768 VanDerWaalsContact C-N 3.28Å; R766-S768 WeakPolarHBondContact CG-O 3.35Å; R766-S768 PolarHBondContact NE-O 3.28Å; R766-S768 PolarHBondContact O-N 3.28Å; S768-D770 PolarHBondContact O-N 3.32Å; S768-W771 PolarHBondContact N-O 2.88Å; S768-W771 PolarHBondContact O-N 3.46Å; S768-W771 VanDerWaalsContact O-O 3.05Å; S768-W771 WeakPolarHBondContact OG-CB 3.32Å; S768-W771 PolarHBondContact OG-N 3.35Å
769E69.2Low88.5Confident167 Ų16770.4 Ų70.478%0.7837%0.366SS*.SBendtrans-57.2-35.9175.9-65.4-168.8161.100112.4R766R766-E769 PolarHBondContact NH2-O 2.97Å
770D88.4Confident88.4Confident105 Ų10573.3 Ų73.356%0.56138%0.379SS*.SBendtrans-96.4-11-178.3-78.8-44.7000114.9S768 P784 H785S768-D770 PolarHBondContact O-N 3.32Å; D770-P784 CarbonylContact O-C 3.56Å; D770-P784 WeakPolarHBondContact O-CA 3.47Å; D770-H785 WeakPolarHBondContact O-CB 3.15Å; D770-H785 PolarHBondContact O-N 2.85Å
771W92.8Very high88.3Confident69 Ų6971.1 Ų71.126%0.26137%0.366SS..EExtended strand (participates in β ladder)trans-138.6145.4-170.6-59.788.6000114.3Y745 E752 A767 S768 L782 P784Y745-W771 WeakPolarHBondContact OH-CH2 3.46Å; E752-W771 HydrophobicContact CG-CH2 3.73Å; E752-W771 HydrophobicContact CG-CZ3 3.83Å; A767-W771 PolarHBondContact N-O 3.02Å; S768-W771 PolarHBondContact N-O 2.88Å; S768-W771 PolarHBondContact O-N 3.46Å; S768-W771 VanDerWaalsContact O-O 3.05Å; S768-W771 WeakPolarHBondContact OG-CB 3.32Å; S768-W771 PolarHBondContact OG-N 3.35Å; W771-L782 HydrophobicContact CD2-CB 4.5Å; W771-L782 HydrophobicContact CE3-CB 3.7Å; W771-L782 HydrophobicContact CZ3-CB 4.06Å; W771-P784 HydrophobicContact CD2-CB 4.21Å; W771-P784 HydrophobicContact CE3-CB 3.74Å; W771-P784 HydrophobicContact CE3-CG 4.29Å; W771-P784 HydrophobicContact CH2-CB 4.17Å; W771-P784 HydrophobicContact CH2-CG 4.44Å; W771-P784 HydrophobicContact CZ3-CB 3.73Å; W771-P784 HydrophobicContact CZ3-CG 3.9Å
772W94.4Very high88.3Confident27 Ų2773.1 Ų73.110%0.10238%0.376CS..EExtended strand (participates in β ladder)trans-116.2144.4171.5-66.477.7000110.3I737 L763 Q765 R766 L782 V783 H785 V790I737-W772 HydrophobicContact CD1-CH2 4.29Å; I737-W772 HydrophobicContact CD1-CZ3 4.09Å; L763-W772 HydrophobicContact CB-CD2 4.47Å; L763-W772 HydrophobicContact CB-CE3 3.91Å; L763-W772 HydrophobicContact CB-CZ3 4.47Å; L763-W772 HydrophobicContact CD1-CB 4.37Å; L763-W772 HydrophobicContact CD1-CD2 3.76Å; L763-W772 HydrophobicContact CD1-CE3 3.9Å; L763-W772 HydrophobicContact CD1-CG 3.98Å; L763-W772 HydrophobicContact CD1-CZ3 4.4Å; L763-W772 HydrophobicContact CD2-CB 4.02Å; L763-W772 HydrophobicContact CD2-CG 4.48Å; L763-W772 HydrophobicContact CG-CE3 4.5Å; Q765-W772 CarbonylContact O-C 3.57Å; Q765-W772 WeakPolarHBondContact O-CA 3.38Å; R766-W772 HydrophobicContact CB-CD2 3.97Å; R766-W772 HydrophobicContact CB-CE3 3.82Å; R766-W772 HydrophobicContact CB-CH2 4.16Å; R766-W772 HydrophobicContact CB-CZ2 4.28Å; R766-W772 HydrophobicContact CB-CZ3 3.92Å; R766-W772 HydrophobicContact CG-CD2 4.13Å; R766-W772 HydrophobicContact CG-CE3 4.47Å; R766-W772 HydrophobicContact CG-CZ2 4.26Å; W772-L782 CarbonylContact O-C 3.5Å; W772-L782 WeakPolarHBondContact O-CA 3.5Å; W772-V783 HydrophobicContact CB-CB 4.47Å; W772-V783 PolarHBondContact N-O 3.43Å; W772-V783 PolarHBondContact O-N 3.3Å; W772-H785 AromaticContact CD1-ND1 3.9Å; W772-H785 AromaticContact NE1-CE1 3.85Å; W772-H785 AromaticContact NE1-CG 3.52Å; W772-H785 AromaticContact NE1-ND1 3.11Å; W772-H785 PolarHBondContact NE1-ND1 3.42Å; W772-H785 VanDerWaalsContact NE1-ND1 3.11Å; W772-V790 HydrophobicContact CZ2-CG2 4.26Å
773E92.6Very high88.4Confident97 Ų9770.6 Ų70.645%0.45336%0.363SS..EExtended strand (participates in β ladder)trans-80.8133.6158.4-80.8170.4-165.700108.9Y764 Q765 A767 L782Y764-E773 PolarHBondContact N-O 2.76Å; Q765-E773 PolarHBondContact N-O 3.48Å; Q765-E773 PolarHBondContact O-N 2.86Å; A767-E773 HydrophobicContact CB-CG 4.11Å; E773-L782 HydrophobicContact CG-CD2 3.78Å
774G92.9Very high88.4Confident1 Ų171 Ų711%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-167.8-177-177.600000112.8L753 L762 D780 G781L753-G774 VanDerWaalsContact CD1-O 3.27Å; L753-G774 WeakPolarHBondContact CD1-O 3.38Å; L762-G774 CarbonylContact O-C 3.35Å; L762-G774 WeakPolarHBondContact O-CA 3.38Å; G774-D780 CarbonylContact O-C 3.58Å; G774-D780 WeakPolarHBondContact O-CA 3.33Å; G774-G781 PolarHBondContact N-O 3.41Å; G774-G781 PolarHBondContact O-N 2.95Å; G774-G781 VanDerWaalsContact O-O 3.08Å
775R93Very high88.7Confident102 Ų10269.2 Ų69.239%0.38536%0.361SS..EExtended strand (participates in β ladder)trans-120.8136-175.9-170.5168.1-76.7163.33.3111.4L762 Y764 I779 D780L762-R775 HydrophobicContact CB-CB 4.41Å; L762-R775 PolarHBondContact N-O 2.94Å; L762-R775 VanDerWaalsContact N-O 3.09Å; L762-R775 PolarHBondContact O-N 2.93Å; Y764-R775 HydrophobicContact CE2-CB 3.86Å; Y764-R775 WeakPolarHBondContact OH-CD 3.4Å; Y764-R775 PolarHBondContact OH-NE 2.81Å; Y764-R775 PolarHBondContact OH-NH1 3.49Å; R775-I779 CarbonylContact C-O 3.36Å; R775-I779 WeakPolarHBondContact CA-O 3.33Å; R775-D780 VanDerWaalsContact CB-OD1 3.29Å; R775-D780 WeakPolarHBondContact CB-OD1 3.24Å; R775-D780 WeakPolarHBondContact CG-OD1 3.43Å; R775-D780 IonicContact CZ-OD1 2.62Å; R775-D780 IonicContact CZ-OD2 2.83Å; R775-D780 IonicContact NE-OD1 3.28Å; R775-D780 PolarHBondContact NE-OD1 2.99Å; R775-D780 IonicContact NE-OD2 2.65Å; R775-D780 PolarHBondContact NE-OD2 3.38Å; R775-D780 IonicContact NH2-OD1 2.81Å; R775-D780 PolarHBondContact NH2-OD1 3.45Å; R775-D780 IonicContact NH2-OD2 2.68Å; R775-D780 PolarHBondContact NH2-OD2 3.46Å
776H92.6Very high89Confident23 Ų2369.5 Ų69.511%0.10636%0.362CS..EExtended strand (participates in β ladder)trans-134.3125169.7-179.2-130.9000109.6L753 S754 F755 L761 G778 I779L753-H776 HydrophobicContact CB-CB 4.49Å; L753-H776 HydrophobicContact CD1-CB 3.96Å; S754-H776 PolarHBondContact O-CE1 3.37Å; S754-H776 VanDerWaalsContact O-CE1 3.22Å; S754-H776 PolarHBondContact O-ND1 2.85Å; F755-H776 VanDerWaalsContact CB-CE1 3.45Å; F755-H776 WeakPolarHBondContact CB-CE1 3.48Å; L761-H776 HydrophobicContact CD2-CB 3.57Å; L761-H776 VanDerWaalsContact CD2-CD2 3.47Å; L761-H776 WeakPolarHBondContact CD2-CD2 3.42Å; H776-G778 PolarHBondContact O-N 3.17Å; H776-G778 VanDerWaalsContact O-N 3.12Å; H776-I779 PolarHBondContact N-O 3.09Å; H776-I779 PolarHBondContact O-N 3.17Å
777N86.1Confident89.2Confident139 Ų13968.4 Ų68.474%0.74336%0.358SS*.THydrogen-bonded Turntrans50.333.3-177.7-59.5-43.6000114.8
778G81.5Confident89.9Confident61 Ų6166.5 Ų66.563%0.62934%0.341SS*.THydrogen-bonded Turntrans826.3-179.100000115.5H776H776-G778 PolarHBondContact O-N 3.17Å; H776-G778 VanDerWaalsContact O-N 3.12Å
779I86.1Confident90.4Very high113 Ų11367.7 Ų67.758%0.57935%0.346SS*.EExtended strand (participates in β ladder)trans-106131.9172.9-52.2177.8000108.4L753 R775 H776L753-I779 HydrophobicContact CD2-CB 4Å; L753-I779 HydrophobicContact CD2-CG2 3.78Å; L753-I779 WeakPolarHBondContact CD2-O 3.22Å; R775-I779 CarbonylContact C-O 3.36Å; R775-I779 WeakPolarHBondContact CA-O 3.33Å; H776-I779 PolarHBondContact N-O 3.09Å; H776-I779 PolarHBondContact O-N 3.17Å
780D91.8Very high91.3Very high83 Ų8361 Ų6144%0.44432%0.316SS..EExtended strand (participates in β ladder)trans-91.3147.8175.9-64.4-42.2000112.1G774 R775G774-D780 CarbonylContact O-C 3.58Å; G774-D780 WeakPolarHBondContact O-CA 3.33Å; R775-D780 VanDerWaalsContact CB-OD1 3.29Å; R775-D780 WeakPolarHBondContact CB-OD1 3.24Å; R775-D780 WeakPolarHBondContact CG-OD1 3.43Å; R775-D780 IonicContact CZ-OD1 2.62Å; R775-D780 IonicContact CZ-OD2 2.83Å; R775-D780 IonicContact NE-OD1 3.28Å; R775-D780 PolarHBondContact NE-OD1 2.99Å; R775-D780 IonicContact NE-OD2 2.65Å; R775-D780 PolarHBondContact NE-OD2 3.38Å; R775-D780 IonicContact NH2-OD1 2.81Å; R775-D780 PolarHBondContact NH2-OD1 3.45Å; R775-D780 IonicContact NH2-OD2 2.68Å; R775-D780 PolarHBondContact NH2-OD2 3.46Å
781G90.3Very high90.7Very high16 Ų1661 Ų6117%0.16531%0.313CS..EExtended strand (participates in β ladder)trans164.8-166.5175.700000113.6R751 G774R751-G781 CarbonylContact O-C 3.53Å; R751-G781 WeakPolarHBondContact O-CA 3.41Å; G774-G781 PolarHBondContact N-O 3.41Å; G774-G781 PolarHBondContact O-N 2.95Å; G774-G781 VanDerWaalsContact O-O 3.08Å
782L93.9Very high88.9Confident44 Ų4463.5 Ų63.523%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-84.4127.5-174.4-62.9175.4000112R751 L753 A767 W771 W772 E773R751-L782 HydrophobicContact CB-CD1 4.5Å; R751-L782 PolarHBondContact O-N 2.86Å; L753-L782 PolarHBondContact N-O 3.12Å; A767-L782 HydrophobicContact CB-CD2 4Å; W771-L782 HydrophobicContact CD2-CB 4.5Å; W771-L782 HydrophobicContact CE3-CB 3.7Å; W771-L782 HydrophobicContact CZ3-CB 4.06Å; W772-L782 CarbonylContact O-C 3.5Å; W772-L782 WeakPolarHBondContact O-CA 3.5Å; E773-L782 HydrophobicContact CG-CD2 3.78Å
783V94.2Very high86.8Confident0 Ų069.4 Ų69.40%036%0.363CS..EExtended strand (participates in β ladder)trans-113.1116.6177.61790000108.4L753 F755 L761 L763 W772 H785 I788L753-V783 HydrophobicContact CB-CG2 4.37Å; L753-V783 HydrophobicContact CD1-CG2 3.82Å; F755-V783 HydrophobicContact CE1-CG1 3.87Å; F755-V783 HydrophobicContact CZ-CG1 4.05Å; L761-V783 HydrophobicContact CD1-CG1 3.93Å; L763-V783 HydrophobicContact CD2-CB 4.23Å; L763-V783 HydrophobicContact CD2-CG1 4.2Å; L763-V783 HydrophobicContact CD2-CG2 4.29Å; W772-V783 HydrophobicContact CB-CB 4.47Å; W772-V783 PolarHBondContact N-O 3.43Å; W772-V783 PolarHBondContact O-N 3.3Å; V783-H785 PolarHBondContact O-N 3.42Å; V783-I788 HydrophobicContact CG1-CD1 4.05Å; V783-I788 HydrophobicContact CG1-CG2 3.57Å
784P94.3Very high84.3Confident9 Ų972.3 Ų72.36%0.05838%0.382CS..EExtended strand (participates in β ladder)trans-74121.9-178.525.9-29.7000111Y745 F755 D770 W771 Q786 Y787Y745-P784 HydrophobicContact CD1-CG 3.8Å; Y745-P784 HydrophobicContact CD2-CG 3.92Å; Y745-P784 HydrophobicContact CE1-CG 3.66Å; Y745-P784 HydrophobicContact CE2-CG 3.79Å; Y745-P784 HydrophobicContact CG-CG 3.94Å; F755-P784 HydrophobicContact CZ-CG 4.34Å; D770-P784 CarbonylContact O-C 3.56Å; D770-P784 WeakPolarHBondContact O-CA 3.47Å; W771-P784 HydrophobicContact CD2-CB 4.21Å; W771-P784 HydrophobicContact CE3-CB 3.74Å; W771-P784 HydrophobicContact CE3-CG 4.29Å; W771-P784 HydrophobicContact CH2-CB 4.17Å; W771-P784 HydrophobicContact CH2-CG 4.44Å; W771-P784 HydrophobicContact CZ3-CB 3.73Å; W771-P784 HydrophobicContact CZ3-CG 3.9Å; P784-Q786 VanDerWaalsContact C-N 3.25Å; P784-Q786 PolarHBondContact O-N 3.38Å; P784-Y787 HydrophobicContact CB-CD2 4Å; P784-Y787 HydrophobicContact CG-CD2 3.86Å; P784-Y787 HydrophobicContact CG-CG 4.14Å; P784-Y787 PolarHBondContact O-N 3.39Å
785H93.6Very high81.6Confident54 Ų5478.2 Ų78.225%0.2541%0.413CS..G310 helixtrans-53.9-39.3-174.3-177.245.6000113R766 D770 W772 V783 Y787 I788R766-H785 PolarHBondContact NH2-CD2 2.81Å; R766-H785 PolarHBondContact NH2-NE2 3.23Å; D770-H785 WeakPolarHBondContact O-CB 3.15Å; D770-H785 PolarHBondContact O-N 2.85Å; W772-H785 AromaticContact CD1-ND1 3.9Å; W772-H785 AromaticContact NE1-CE1 3.85Å; W772-H785 AromaticContact NE1-CG 3.52Å; W772-H785 AromaticContact NE1-ND1 3.11Å; W772-H785 PolarHBondContact NE1-ND1 3.42Å; W772-H785 VanDerWaalsContact NE1-ND1 3.11Å; V783-H785 PolarHBondContact O-N 3.42Å; H785-Y787 PolarHBondContact O-N 2.8Å; H785-Y787 VanDerWaalsContact O-N 3.14Å; H785-I788 WeakPolarHBondContact O-CG1 3.46Å; H785-I788 PolarHBondContact O-N 2.88Å
786Q91.9Very high79Confident139 Ų13980.7 Ų80.765%0.6543%0.434SS*.G310 helixtrans-66.4-15-179.3-164.962.98.400114.1P784P784-Q786 VanDerWaalsContact C-N 3.25Å; P784-Q786 PolarHBondContact O-N 3.38Å
787Y92.6Very high76.1Confident84 Ų8488.3 Ų88.333%0.32947%0.467SS..G310 helixtrans-99.80.3-179.4-72.9-106.9000113.5A741 K742 F743 Y745 P784 H785A741-Y787 CarbonylContact C-O 3.59Å; K742-Y787 WeakPolarHBondContact CB-O 3.35Å; K742-Y787 PolarHBondContact N-O 2.99Å; F743-Y787 HydrophobicContact CB-CD1 3.89Å; F743-Y787 HydrophobicContact CB-CE1 4.39Å; F743-Y787 HydrophobicContact CD2-CD1 4.45Å; F743-Y787 PolarHBondContact N-O 3.22Å; Y745-Y787 AromaticContact CD2-CD1 3.67Å; Y745-Y787 HydrophobicContact CD2-CD1 3.67Å; Y745-Y787 HydrophobicContact CD2-CD2 4.21Å; Y745-Y787 AromaticContact CD2-CE1 3.7Å; Y745-Y787 HydrophobicContact CD2-CE1 3.7Å; Y745-Y787 HydrophobicContact CD2-CE2 4.23Å; Y745-Y787 AromaticContact CD2-CG 3.96Å; Y745-Y787 HydrophobicContact CD2-CG 3.96Å; Y745-Y787 AromaticContact CD2-CZ 3.99Å; Y745-Y787 HydrophobicContact CE2-CE2 4.44Å; Y745-Y787 HydrophobicContact CG-CD1 4.13Å; Y745-Y787 HydrophobicContact CG-CG 4.35Å; P784-Y787 HydrophobicContact CB-CD2 4Å; P784-Y787 HydrophobicContact CG-CD2 3.86Å; P784-Y787 HydrophobicContact CG-CG 4.14Å; P784-Y787 PolarHBondContact O-N 3.39Å; H785-Y787 PolarHBondContact O-N 2.8Å; H785-Y787 VanDerWaalsContact O-N 3.14Å
788I93.6Very high73.3Confident10 Ų1086.8 Ų86.85%0.05147%0.468CS..EExtended strand (participates in β ladder)trans-125.3168.8-176.360.2164.7000111.9A739 I740 F755 L761 L763 V783 H785 V790A739-I788 HydrophobicContact CB-CB 4.45Å; A739-I788 HydrophobicContact CB-CD1 4.05Å; I740-I788 CarbonylContact O-C 3.57Å; I740-I788 WeakPolarHBondContact O-CA 3.36Å; F755-I788 HydrophobicContact CE2-CG2 4.25Å; F755-I788 HydrophobicContact CZ-CG2 4.06Å; L761-I788 HydrophobicContact CD1-CG2 3.41Å; L761-I788 VanDerWaalsContact CD1-CG2 3.41Å; L763-I788 HydrophobicContact CD1-CD1 3.7Å; L763-I788 HydrophobicContact CD2-CD1 4.28Å; V783-I788 HydrophobicContact CG1-CD1 4.05Å; V783-I788 HydrophobicContact CG1-CG2 3.57Å; H785-I788 WeakPolarHBondContact O-CG1 3.46Å; H785-I788 PolarHBondContact O-N 2.88Å; I788-V790 HydrophobicContact CD1-CG2 4.29Å
789V91.4Very high70.8Confident78 Ų7892.1 Ų92.147%0.47348%0.482SS..EExtended strand (participates in β ladder)trans-126.7118.6162.8-1800000106.4A739 I740 K742A739-V789 CarbonylContact C-O 3.58Å; A739-V789 VanDerWaalsContact CA-O 3.22Å; A739-V789 WeakPolarHBondContact CA-O 3.4Å; A739-V789 WeakPolarHBondContact CB-O 3.42Å; I740-V789 PolarHBondContact N-O 3.16Å; I740-V789 PolarHBondContact O-N 2.84Å; K742-V789 HydrophobicContact CB-CG2 4.3Å; K742-V789 HydrophobicContact CD-CG2 3.99Å; K742-V789 HydrophobicContact CG-CG2 4.34Å
790V88.2Confident68.3Low26 Ų2691.5 Ų91.516%0.15849%0.488CS..EExtended strand (participates in β ladder)trans-71138.5172.2-175.20000108.1I737 A739 L763 W772 I788I737-V790 HydrophobicContact CG2-CG1 3.48Å; I737-V790 VanDerWaalsContact CG2-CG1 3.48Å; A739-V790 HydrophobicContact CB-CG2 4.49Å; L763-V790 HydrophobicContact CD1-CG2 3.99Å; W772-V790 HydrophobicContact CZ2-CG2 4.26Å; I788-V790 HydrophobicContact CD1-CG2 4.29Å
791Q76.4Confident65.3Low105 Ų10595.5 Ų95.549%0.49151%0.508SS..  trans-92.499.8168.7-67.1-166.85.100108.9E738 I740E738-Q791 PolarHBondContact O-N 3.29Å; I740-Q791 VanDerWaalsContact CD1-NE2 3.28Å
792D56.1Low62.4Low123 Ų123100.3 Ų100.366%0.65854%0.54SS*.  trans-69.1134.3171.4-65.1-48.1000109.7D794D792-D794 VanDerWaalsContact C-N 3.26Å; D792-D794 PolarHBondContact O-N 3.16Å
793I50.4Low59.4Low150 Ų150107.9 Ų107.977%0.76957%0.574SS**SBendtrans-70.7-21.1-174-76.1173.7000112.8
794D39.6Very low56.3Low158 Ų158117.5 Ų117.585%0.84562%0.616SS**  trans-12264.5-176.4-82.4-57.2000112.8D792D792-D794 VanDerWaalsContact C-N 3.26Å; D792-D794 PolarHBondContact O-N 3.16Å
795D35.5Very low53.3Low125 Ų125121.1 Ų121.167%0.66865%0.646SS**  trans-130.564.2166.8-156.6-0.7000113.8
796N39.3Very low50.2Low154 Ų154125.8 Ų125.882%0.82467%0.673SS**  trans-11047.4165.7-169.590.2000111.3
797F31.1Very low47.3Very low183 Ų183125.2 Ų125.280%0.80368%0.684SS**SBendtrans-169106.8152.1-125.9-81.7000112.1
798S28Very low44.4Very low107 Ų107130.5 Ų130.575%0.74871%0.712SS**  trans157.416.6139.1-69.90000117.7S800S798-S800 VanDerWaalsContact C-N 3.3Å; S798-S800 PolarHBondContact O-N 2.91Å
799D28.9Very low41.4Very low173 Ų173134.6 Ų134.693%0.92575%0.747SS**  trans-76.381.8168.5-166.48.1000112.4
800S33.7Very low38.4Very low101 Ų101136 Ų13671%0.70676%0.76SS**  trans-161.773.8172.2170.20000111.3S798S798-S800 VanDerWaalsContact C-N 3.3Å; S798-S800 PolarHBondContact O-N 2.91Å
801L28.8Very low35.8Very low166 Ų166140.2 Ų140.287%0.86979%0.791SS**SBendtrans165.395.5144.1-92.2162.4000111.8
802S29.8Very low33.5Very low118 Ų118138.4 Ų138.483%0.82580%0.801SS**  trans169.363.5138.948.40000115.9
803Q29.9Very low32.3Very low202 Ų202141.9 Ų141.994%0.94481%0.813SS**  trans-127.8121.2151.2-71.7-162.64.800111.9
804K29.7Very low31.4Very low203 Ų203139.8 Ų139.888%0.88382%0.818SS**  trans-143142.1170-112.5-167.6177.6-174.60106.6
805A30.1Very low31Very low84 Ų84135.5 Ų135.569%0.69481%0.811SS**  trans65.4131.3-176.300000114.7
806D29.5Very low30.8Very low152 Ų152138.3 Ų138.381%0.81382%0.82SS**  cis-152.8142.8-8.4-86.5-38.5000109.2
807S31.6Very low30.4Very low127 Ų127136.4 Ų136.489%0.88881%0.81SS**  trans164.4147.9136.5-76.20000112.3
808E30.7Very low30.5Very low195 Ų195135.6 Ų135.691%0.91181%0.806SS**  trans-93.4144.2-179.7-53.3171.8119.200111.6
809A29.9Very low30.3Very low97 Ų97136.2 Ų136.280%0.80281%0.809SS**  162.1139.4123.400000114.9
810S29.4Very low30.4Very low106 Ų106133.9 Ų133.974%0.74181%0.806SS**  trans62.7122.3152.2-158.80000121.6
811S32.8Very low30.1Very low115 Ų115132.4 Ų132.480%0.80481%0.807SS**  trans53.9129.8143.457.10000121
812G28.8Very low30.2Very low68 Ų68133 Ų13370%0.70180%0.803SS**  cis148.3157.2-6.200000114.3
813H30.8Very low30.2Very low195 Ų195132.9 Ų132.990%0.90379%0.793SS**  trans72.6131.8170.8-92.174.6000120.7
814A31.6Very low30.3Very low107 Ų107130.5 Ų130.588%0.88479%0.785SS**  trans61.3146.115800000119.5
815G31.5Very low30Very low68 Ų68126.1 Ų126.170%0.70178%0.78SS**  cis173.7136.6-9.200000114.1
816E31.5Very low30.1Very low184 Ų184127.2 Ų127.286%0.8678%0.783SS**  trans44.6115.3150.8-56.6-174.5137.100121
817D31.1Very low31Very low113 Ų113126 Ų12660%0.60478%0.783SS**  127.7143.9100.9-114.2-25.2000121.3
818K31.7Very low30.9Very low166 Ų166126 Ų12672%0.72278%0.778SS**  trans45.1115.7154.2-68.6142.4-168.9157.10120.3
819C25.1Very low30.7Very low120 Ų120123.1 Ų123.181%0.81177%0.769SS**  cis80.6142.940.7-162.60000116
820S30.1Very low30.5Very low124 Ų124123.4 Ų123.487%0.86776%0.761SS**  trans76.9144.9-179.777.30000117.6
821G28.5Very low30.3Very low70 Ų70128.7 Ų128.772%0.72276%0.764SS**  cis156.3162.1-14.700000115.8
822K31.1Very low30.1Very low179 Ų179130.8 Ų130.878%0.77877%0.765SS**  trans88.3114.2159.9-69.1-176.9147.4-89.10122.2
823D29.3Very low29.9Very low116 Ų116131.8 Ų131.862%0.6276%0.761SS**  78.2132.6116.2-56.3-13.7000124.6
824I30.8Very low29.7Very low152 Ų152131 Ų13178%0.77976%0.758SS**  trans107.1110.9132.2-83.7163.5000122.5
825S24.8Very low29.7Very low111 Ų111129.4 Ų129.478%0.77675%0.745SS**  trans65.314014372.10000124.2
826S31.1Very low29.4Very low107 Ų107137 Ų13775%0.74875%0.754SS**  trans-90.4174.2152.961.40000111.6
827P48.9Very low29.3Very low126 Ų126135.4 Ų135.482%0.81875%0.75SS**  -148.7-150.796.541.2-22.7000114.8
828T29.6Very low29Very low128 Ų128134.1 Ų134.179%0.78576%0.755SS**  trans-113.9159.6-146.8-17.30000117.1
829D26.9Very low28.9Very low134 Ų134137.1 Ų137.172%0.71776%0.761SS**  trans74127139.7-158.89.7000121.1
830T25.8Very low29Very low103 Ų103138.5 Ų138.563%0.63276%0.756SS**  170.2133118.633.80000117
831R25.2Very low28.9Very low216 Ų216142.4 Ų142.482%0.81575%0.751SS**  trans59.4129.1142.3-58.5167.1-168.9-168.63120.1
832I27.6Very low28.8Very low160 Ų160147.5 Ų147.582%0.82175%0.754SS**  cis83.2139.939.3-58.4170.1000115
833S25.4Very low28.5Very low89 Ų89150.5 Ų150.562%0.62276%0.76SS**  trans93.8136.7168.7-730000116.2
834E27.2Very low28.3Very low179 Ų179150.5 Ų150.584%0.83677%0.769SS**  cis142.7169.710.7-100.5176126.100104.5
835A29.7Very low28Very low73 Ų73150.8 Ų150.860%0.60377%0.772SS**  cis-175167-25.600000108.4
836Y25.4Very low29.1Very low228 Ų228150.4 Ų150.489%0.89477%0.767SS**  trans168.5151.3151-93.4-42.1000110.4
837I29.2Very low29.6Very low150 Ų150151.4 Ų151.477%0.76977%0.771SS**  cis-135.9157.4-4.3-102.9171.9000108.2
838A25.4Very low28.7Very low86 Ų86151.6 Ų151.671%0.71177%0.77SS**  trans-123.2165.5177.500000113.9
839R29.2Very low28.6Very low229 Ų229157.7 Ų157.786%0.86478%0.778SS**  trans-167.9117.5153.2-107.1164.3-159.2-159.26.6117
840H27.6Very low28.7Very low149 Ų149162.8 Ų162.869%0.6979%0.788SS**  trans71115.3137.5-70.6-27.9000126.4
841R28.1Very low29.6Very low205 Ų205163.5 Ų163.577%0.77479%0.794SS**  95.8125.6115.8-80-179.5169179.2-0.2123.8
842K26.5Very low30.1Very low178 Ų178158.9 Ų158.977%0.77479%0.792SS**  trans76.6100.2135.9-75.4-171.5171.7-1720122.7
843R26Very low30Very low242 Ų242156.2 Ų156.291%0.91379%0.794SS**  35.2113.3106-171.8-164.4-162.2-170.78.5119.9
844S24.8Very low30.1Very low115 Ų115163 Ų16380%0.80481%0.806SS**  trans-168.7138143.155.30000115
845D24.3Very low30.5Very low158 Ų158160.2 Ų160.285%0.84580%0.803SS**  trans-139.8164.2162.7-95.4-45.8000106.8
846P47.1Very low30.2Very low103 Ų103161 Ų16167%0.66980%0.804SS**  cis-119.7-147.2-32.232.8-12.5000109.1
847P41.8Very low30.2Very low129 Ų129157.2 Ų157.284%0.83880%0.8SS**  -148169.5100.539.1-23.3000116.1
848T29.9Very low30Very low129 Ų129155.2 Ų155.279%0.79179%0.794SS**  trans-106.7160.5-177.551.40000113.9
849R28.4Very low30Very low256 Ų256159.1 Ų159.197%0.96680%0.797SS**  trans-140.2157.1157.6-78.4-162.7171.2-170-2112
850R28.3Very low29.8Very low242 Ų242153.1 Ų153.191%0.91379%0.789SS**  trans-106.3163.3-176.4-94.5-175.9177.6172.4-0.1112.4
851P44.4Very low29.8Very low117 Ų117153 Ų15376%0.7679%0.79SS**  trans-91.8174.6-177.438.8-38.2000113.7
852P36.5Very low29.6Very low120 Ų120149.1 Ų149.178%0.77979%0.785SS**  trans-129.2141.7156.937.1-23.7000115.9
853A23.9Very low29.6Very low103 Ų103148.5 Ų148.585%0.85178%0.784SS**  trans66.1137.7139.600000124
854R29.1Very low29.6Very low232 Ų232141.9 Ų141.988%0.87578%0.775SS**  trans-85.8162.1150.4-59.8173.3172.5172.4-5.1109.2
855P34.8Very low29.9Very low120 Ų120141.1 Ų141.178%0.77977%0.769SS**  -129.1154.687.77.715.1000111.7
856S23.5Very low30.4Very low89 Ų89141 Ų14162%0.62276%0.764SS**  cis94.91453284.80000115.2
857N25.7Very low29.6Very low150 Ų150144 Ų14480%0.80277%0.769SS**  trans79.2144.5160-72.47.7000118
858V24.4Very low29Very low108 Ų108141.1 Ų141.166%0.65576%0.762SS**  cis-163.3178.8-13.1101.80000111.6
859H26.5Very low29.1Very low168 Ų168143.4 Ų143.478%0.77876%0.764SS**  trans72.7115.5178.3-66.7-61.2000116.1
860C24.1Very low29Very low103 Ų103135 Ų13570%0.69676%0.756SS**  cis81.91408.4-151.90000117.9
861M27.6Very low29Very low145 Ų145126.8 Ų126.871%0.71475%0.748SS**  trans77.9122.3-172.9-53.3-51.6-171.500115.4
862L24.3Very low28.5Very low124 Ų124128 Ų12865%0.64975%0.753SS**  73.5137.350.8-7664.9000111.7
863H27.3Very low28.8Very low166 Ų166127.5 Ų127.577%0.76975%0.75SS**  cis-164.3164.80.5-113.5-32.2000110.2
864S25.4Very low29Very low102 Ų102131 Ų13171%0.71375%0.748SS**  trans167.3131.8131.5-77.30000109.3
865S30.6Very low29Very low99 Ų99128.8 Ų128.869%0.69275%0.75SS**  cis78.2145.944.994.60000113.1
866Q35.6Very low28.5Very low156 Ų156126.7 Ų126.773%0.72975%0.751SS**  cis-163.5-175.520-153.2-176.364.300113.4
867Q30.5Very low28.7Very low167 Ų167128 Ų12878%0.7876%0.76SS**  trans86.2125.5164.7-60.5174.21.200116.4
868G28.1Very low29.7Very low67 Ų67125.9 Ų125.969%0.69175%0.754SS**  cis149153.7-2.200000110.2
869H32.7Very low29.8Very low177 Ų177126.3 Ų126.382%0.81976%0.757SS**  cis-145.2-177.20.3-69-91.3000107
870G26.1Very low29.9Very low79 Ų79125.5 Ų125.581%0.81476%0.758SS**  cis125.6140.813.700000109.3
871G28.5Very low30Very low71 Ų71123.4 Ų123.473%0.73275%0.753SS**  cis-139.1-149.510.800000112.6
872T32.7Very low29.9Very low141 Ų141123.8 Ų123.887%0.86575%0.753SS**  cis-155.5-169.117.3-7.20000109.1
873P44.1Very low29.9Very low110 Ų110127.5 Ų127.571%0.71476%0.764SS**  trans-88.4-175.8-151.443.6-41.7000114.5
874E26.9Very low29.8Very low177 Ų177124.4 Ų124.483%0.82776%0.761SS**  cis-162.2174.134.4-154.1167-174.200116.3
875M29.7Very low31Very low185 Ų185124.6 Ų124.691%0.91176%0.76SS**  trans-22142.7174-77.6-78.8-155.300120.2
876G25.3Very low30.9Very low77 Ų77130 Ų13079%0.79477%0.765SS**  trans178117.2159.600000113.9
877S26.2Very low30.5Very low115 Ų115128.2 Ų128.280%0.80476%0.761SS**  trans-158180-174.2-137.30000109.6
878P47.7Very low30.3Very low107 Ų107129.4 Ų129.470%0.69577%0.768SS**  cis-127.7-155.4-45.420.72.2000111.9
879V25.1Very low30.4Very low116 Ų116133.7 Ų133.770%0.70378%0.775SS**  trans111126.5140.7-177.30000120.3
880L29Very low30.2Very low152 Ų152136.3 Ų136.380%0.79678%0.777SS**  trans59.5147.8159.9-72.5164.2000120.3
881G26.3Very low30.2Very low58 Ų58138.5 Ų138.560%0.59878%0.78SS**  cis170.3147.2-7.800000115.6
882H25.1Very low30.1Very low153 Ų153142.4 Ų142.471%0.70878%0.779SS**  trans16.7129.5157.6-42.9-93.6000120.4
883F24.5Very low29.8Very low203 Ų203141 Ų14189%0.8977%0.766SS**  178.6167.489.5-101.1-68.9000114.2
884S25.5Very low29Very low100 Ų100144.1 Ų144.170%0.69977%0.771SS**  trans-168.2156.7179.1-179.80000107
885P51.3Low29.1Very low106 Ų106143.9 Ų143.969%0.68877%0.772SS**  cis-132.2-168.6-17.829.3-6.9000113.9
886R28.5Very low29.6Very low212 Ų212140.8 Ų140.880%0.877%0.766SS**  trans91.8143.4134.9-103.8-172.6150.2137.35.9123.2
887D26Very low29.7Very low120 Ų120145 Ų14564%0.64277%0.767SS**  trans53.9121.8147.4-55.5-23.5000122.3
888M27.4Very low29.7Very low191 Ų191146.7 Ų146.794%0.94177%0.767SS**  -162.7171.7110.9-112.3-165.9-72.900113.9
889L30.3Very low28.6Very low158 Ų158146.4 Ų146.483%0.82777%0.767SS**  trans-139.5155.3-168-111.1172.4000112.5
890R28.7Very low29.7Very low231 Ų231145.7 Ų145.787%0.87277%0.765SS**  trans67.6117.2163.5-66.3179.5166.3-157.6-3.8120.4
891S25Very low29.7Very low125 Ų125145 Ų14587%0.87476%0.758SS**  171.2162.3121.4-78.80000111.3
892H27.4Very low29.8Very low153 Ų153150.6 Ų150.671%0.70876%0.761SS**  cis-173.3124.6-33.9-174.750.6000108.5
893N26.4Very low30Very low111 Ų111152 Ų15259%0.59476%0.76SS**  trans58.4151.3172.9-45.4-20.5000116.1
894H26.9Very low30.3Very low176 Ų176152 Ų15282%0.81575%0.754SS**  cis-155.9159.335.9-104.8-87.1000111.8
895M28.2Very low30.4Very low173 Ų173158.3 Ų158.385%0.85276%0.762SS**  trans-91.8156.9156.4-72.4-73.3-169.500109.9
896P40.3Very low29.3Very low120 Ų120160.3 Ų160.378%0.77977%0.773SS**  -145-177.396.740.9-26.1000115.8
897M28Very low29.2Very low165 Ų165153.4 Ų153.481%0.81377%0.768SS**  trans-36.8159161.2-64.1-66.9-15300113.9
898D25.6Very low29.4Very low151 Ų151157.6 Ų157.681%0.80778%0.783SS**  cis-161.6-178.545.8-142.1-31.6000115
899S26Very low29.3Very low100 Ų100152.2 Ų152.270%0.69978%0.776SS**  trans-98.1-172.3171.5-139.20000110.2
900P47.3Very low29.3Very low102 Ų102149.9 Ų149.966%0.66277%0.774SS**  cis-143.5-174.3-1.142.7-22.6000117.5
901E28.6Very low29.4Very low138 Ų138145.7 Ų145.765%0.64577%0.767SS**  trans71.1126.1142.7-83.4-155.514400125.1
902R29.1Very low29.6Very low174 Ų174146.9 Ų146.966%0.65777%0.77SS**  89.8121.6127.4-78.2179.2-174.9-171.314.5124.5
903R30Very low29.6Very low182 Ų182145.6 Ų145.669%0.68777%0.768SS**  95126.9125.7-82.8-179.8176.4-169.21.3122
904R29.8Very low29.8Very low205 Ų205147.2 Ų147.277%0.77478%0.775SS**  trans69.8117.8145.2-67.4179.6179-154.5-2.2116.2
905R27.9Very low29.7Very low231 Ų231143.9 Ų143.987%0.87277%0.772SS**  84.8134.766.9-96.4-161.7178.4-159.11.3113
906T28.5Very low29.7Very low148 Ų148145.9 Ų145.991%0.90877%0.77SS**  trans62.3144.2171.245.70000116.5
907G26.6Very low29.1Very low68 Ų68147.8 Ų147.870%0.70177%0.768SS**  cis-169.6-173.31.400000113
908H29.3Very low29Very low208 Ų208147.4 Ų147.496%0.96376%0.764SS**  trans-57.2147.7-171.1-62.2-99.3000116.3
909G26.4Very low29.2Very low77 Ų77144.3 Ų144.379%0.79475%0.754SS**  trans-162.9143163.300000109.3
910S29.2Very low29.5Very low110 Ų110145.9 Ų145.977%0.76975%0.754SS**  trans-136.4147.9-160.8-153.90000115.1
911L30.8Very low28.6Very low142 Ų142148.3 Ų148.374%0.74375%0.754SS**  trans60124.3159.5-67.8163.7000120.6
912T28.7Very low28.4Very low150 Ų150151.6 Ų151.692%0.9277%0.766SS**  -150.2163.3126.916.70000108.8
913N28.7Very low28.3Very low127 Ų127150.1 Ų150.168%0.67977%0.769SS**  trans-114.6142.3-153.1-98-29.8000116.5
914I29Very low28.2Very low145 Ų145149.8 Ų149.874%0.74478%0.775SS**  trans56.7116.8139.2-56.2164.7000119
915S26.4Very low28Very low105 Ų105144 Ų14473%0.73477%0.766SS**  trans-154.9100.3135.2-178.70000113.8
916R28Very low28.4Very low215 Ų215138.6 Ų138.681%0.81176%0.761SS**  trans51.7125.2137.6-61.4177.4175.9170.3-0.9121.8
917H27.5Very low29.2Very low161 Ų161136.3 Ų136.375%0.74575%0.749SS**  43.7141.2125.9-71.6-98.3000121.3
918E26Very low29.3Very low157 Ų157140.6 Ų140.673%0.73475%0.754SS**  cis-176.5167.8-9.9-168170.4-166.200109.7
919S28.7Very low29.1Very low85 Ų85142.5 Ų142.559%0.59475%0.752SS**  117.9146.9124.1-142.80000120.6
920L32.9Very low29.3Very low134 Ų134150.1 Ų150.170%0.70276%0.757SS**  trans73.6140.2164.9-46.6-172.4000116.8
921K27.8Very low29.2Very low152 Ų152150.7 Ų150.766%0.66176%0.761SS**  cis-160.5138.9-2-128.8165.8-175172.30113
922K25.5Very low29.1Very low207 Ų207150.9 Ų150.990%0.977%0.769SS**  trans-147.9143.7135.9-89.9-162.4176-174.80108
923M26.5Very low29.1Very low143 Ų143149.2 Ų149.270%0.70476%0.763SS**  trans-102.5147.8171.6-76.2141.961.100108.5
924E27Very low29.4Very low175 Ų175148.9 Ų148.982%0.81877%0.77SS**  68.3135.356.9-113.5-15011400111.9
925S26.2Very low29.4Very low83 Ų83145 Ų14558%0.5877%0.766SS**  cis-155.6-153.210.7-38.90000108.2
926P35.8Very low29.5Very low118 Ų118148.9 Ų148.977%0.76677%0.773SS**  cis-132.7-151.8-15.637.5-12.8000112.3
927P46Very low29.4Very low101 Ų101149.4 Ų149.466%0.65678%0.776SS**  -140.7152.3-88.745.1-26.7000119.5
928I28.8Very low29.4Very low158 Ų158148.2 Ų148.281%0.8178%0.781SS**  56.2121.2129.3-59.1169.1000121.1
929R25.8Very low29.4Very low248 Ų248144.5 Ų144.594%0.93678%0.784SS**  -153146.5111.6-112.2178.9-175.1-175.72.1113.7
930R30.4Very low29.3Very low236 Ų236150 Ų15089%0.89180%0.798SS**  trans-126.7157.3174.4-72.2179.7172.8176.1-3.3108.8
931S27.4Very low29Very low122 Ų122149.8 Ų149.885%0.85380%0.802SS**  trans-173.2125.2143.8-102.10000112.5
932T27.8Very low29Very low147 Ų147149.8 Ų149.890%0.90281%0.809SS**  trans-147.7143.3161.349.40000110.4
933S29.3Very low29Very low114 Ų114144 Ų14480%0.79780%0.795SS**  trans-161.3150-178.252.80000108.3
934S35.3Very low29.2Very low120 Ų120145 Ų14584%0.83980%0.797SS**  cis-177.1150.8-7470000109
935G27.9Very low29.3Very low63 Ų63143.6 Ų143.665%0.64979%0.791SS**  trans142.3108.1170.900000111.3
936Q29.6Very low29.5Very low187 Ų187147.8 Ų147.887%0.87480%0.801SS**  80.7104.471.6-78.2-179-2900114.1
937Y25Very low29.5Very low226 Ų226151.6 Ų151.689%0.88681%0.808SS**  -160.7172.2109.1-111.9-77.6000110.5
938T27.8Very low28.8Very low137 Ų137151.9 Ų151.984%0.8481%0.813SS**  trans-130.3151.2-165.649.30000113.3
939G25.5Very low29.2Very low78 Ų78148.2 Ų148.280%0.80481%0.813SS**  trans-173.4134.417200000113
940F27.2Very low29.6Very low201 Ų201145.4 Ų145.488%0.88281%0.808SS**  trans-106.2147.7175.6-83.5-114.2000110.3
941T26.6Very low30Very low130 Ų130140.2 Ų140.280%0.79881%0.805SS**  154.1112.1112.3520000113.5
942D27.1Very low30.9Very low151 Ų151141.3 Ų141.381%0.80780%0.8SS**  56.3148.5129.3-127.3-48.2000124.8
943S26.7Very low32.2Very low87 Ų87138.3 Ų138.361%0.60878%0.779SS**  trans78.196.5148.1-730000122.9
944H29.6Very low33.5Very low162 Ų162137.6 Ų137.675%0.7577%0.771SS**  84.7128.2123.5-84.8-64.2000124.3
945H30Very low34.6Very low147 Ų147139.2 Ų139.268%0.68177%0.766SS**  trans94.2137.8142-84.491.8000123
946H30.9Very low36.1Very low171 Ų171139.7 Ų139.779%0.79276%0.756SS**  trans70.4120.4164.4-69.9-64.3000122.1
947H35.3Very low37.7Very low197 Ų197134.7 Ų134.791%0.91273%0.734SS**  trans-62.2130.1157.4-72.1-74.1000111.7
948S31.3Very low39.3Very low108 Ų108126.6 Ų126.676%0.75571%0.714SS**  trans-148.4135.9140.154.10000107.6
949G36.8Very low41Very low80 Ų80126.5 Ų126.583%0.82570%0.704SS**PPolyproline II helixtrans-76.2128.6178.200000110.6
950K34.3Very low42.7Very low190 Ų190127.3 Ų127.383%0.82669%0.69SS**PPolyproline II helixtrans-98.7140.4158.1-69.4-173.8176.9-175.80108.4
951P39.3Very low44.9Very low126 Ų126122.3 Ų122.382%0.81867%0.672SS**PPolyproline II helixtrans-62.4151.5164.330-34000109.4
952L44.9Very low47Very low146 Ų146122.1 Ų122.176%0.76466%0.662SS**PPolyproline II helixtrans-68.4141.5168.7-67.9168.3000109.1P954 I957L952-P954 WeakPolarHBondContact O-CD 3.5Å; L952-I957 HydrophobicContact CB-CD1 4.06Å
953D55.2Low48.8Very low84 Ų84121.3 Ų121.345%0.44965%0.653SS.*PPolyproline II helixtrans-77.2120.3-177.8-165.3-28000110.3E955 T956 I957D953-E955 PolarHBondContact O-N 3.34Å; D953-E955 PolarHBondContact OD1-N 2.92Å; D953-E955 VanDerWaalsContact OD1-N 3.09Å; D953-T956 PolarHBondContact O-N 3.36Å; D953-I957 PolarHBondContact O-N 3.25Å
954P57.3Low50.9Low98 Ų98121.9 Ų121.964%0.63665%0.653SS**Hα-helixtrans-59.9-30.2179.1-23.935000113.7L952 I957 A958L952-P954 WeakPolarHBondContact O-CD 3.5Å; P954-I957 PolarHBondContact O-N 3.24Å; P954-A958 WeakPolarHBondContact O-CB 3.42Å; P954-A958 PolarHBondContact O-N 2.96Å
955E57.7Low52.2Low154 Ų154119.5 Ų119.572%0.7264%0.644SS**Hα-helixtrans-72.1-34.9-177.8-64.8-170.512600111.4D953 A958 Q959D953-E955 PolarHBondContact O-N 3.34Å; D953-E955 PolarHBondContact OD1-N 2.92Å; D953-E955 VanDerWaalsContact OD1-N 3.09Å; E955-A958 PolarHBondContact O-N 3.42Å; E955-Q959 WeakPolarHBondContact O-CB 3.15Å; E955-Q959 PolarHBondContact O-N 2.97Å
956T59.4Low53.9Low73 Ų73116.4 Ų116.445%0.44863%0.632SS.*Hα-helixtrans-66.4-41.5173.1-43.40000111.6D953 Q959 D960D953-T956 PolarHBondContact O-N 3.36Å; T956-Q959 PolarHBondContact O-N 3.34Å; T956-D960 PolarHBondContact O-N 3.19Å
957I63.9Low56Low82 Ų82111.8 Ų111.842%0.42162%0.616SS.*Hα-helixtrans-66.6-39.1177.9-63.7172.8000110.9L952 D953 P954 Q959 I961L952-I957 HydrophobicContact CB-CD1 4.06Å; D953-I957 PolarHBondContact O-N 3.25Å; P954-I957 PolarHBondContact O-N 3.24Å; I957-Q959 VanDerWaalsContact C-N 3.33Å; I957-I961 HydrophobicContact CG2-CD1 3.89Å; I957-I961 WeakPolarHBondContact O-CB 3.4Å; I957-I961 WeakPolarHBondContact O-CD1 3.23Å; I957-I961 WeakPolarHBondContact O-CG1 3.44Å; I957-I961 PolarHBondContact O-N 3.02Å; I957-I961 VanDerWaalsContact O-N 3.13Å
958A58.1Low57.1Low56 Ų56105 Ų10546%0.46359%0.594SS.*Hα-helixtrans-62.9-40.8174.100000111.8P954 E955 I961 E962P954-A958 WeakPolarHBondContact O-CB 3.42Å; P954-A958 PolarHBondContact O-N 2.96Å; E955-A958 PolarHBondContact O-N 3.42Å; A958-I961 PolarHBondContact O-N 2.72Å; A958-E962 WeakPolarHBondContact O-CB 3.46Å; A958-E962 PolarHBondContact O-N 2.66Å
959Q63Low58.6Low135 Ų135103.6 Ų103.663%0.63158%0.578SS**Hα-helixtrans-69.2-43.2-179.6-165.4159.73900112.6E955 T956 I957 I961 E962 E963E955-Q959 WeakPolarHBondContact O-CB 3.15Å; E955-Q959 PolarHBondContact O-N 2.97Å; T956-Q959 PolarHBondContact O-N 3.34Å; I957-Q959 VanDerWaalsContact C-N 3.33Å; Q959-I961 VanDerWaalsContact C-N 3.3Å; Q959-I961 PolarHBondContact O-N 3.26Å; Q959-E962 PolarHBondContact O-N 3.5Å; Q959-E963 PolarHBondContact O-N 2.74Å
960D62.5Low59.9Low96 Ų96104.6 Ų104.651%0.51356%0.564SS.*Hα-helixtrans-59.3-40.1172.4-78.4-5.7000111.6T956 T964T956-D960 PolarHBondContact O-N 3.19Å; D960-T964 VanDerWaalsContact O-CB 3.26Å; D960-T964 WeakPolarHBondContact O-CB 3.44Å; D960-T964 PolarHBondContact O-N 3.44Å; D960-T964 PolarHBondContact O-OG1 2.85Å
961I73.8Confident61.5Low95 Ų95101.6 Ų101.649%0.48755%0.553SS.*Hα-helixtrans-67.7-41.9176.8-71168.2000111.1I957 A958 Q959 T964 M965I957-I961 HydrophobicContact CG2-CD1 3.89Å; I957-I961 WeakPolarHBondContact O-CB 3.4Å; I957-I961 WeakPolarHBondContact O-CD1 3.23Å; I957-I961 WeakPolarHBondContact O-CG1 3.44Å; I957-I961 PolarHBondContact O-N 3.02Å; I957-I961 VanDerWaalsContact O-N 3.13Å; A958-I961 PolarHBondContact O-N 2.72Å; Q959-I961 VanDerWaalsContact C-N 3.3Å; Q959-I961 PolarHBondContact O-N 3.26Å; I961-T964 PolarHBondContact O-N 3.19Å; I961-M965 HydrophobicContact CG2-SD 4.49Å; I961-M965 WeakPolarHBondContact O-CB 3.5Å; I961-M965 PolarHBondContact O-N 3.16Å
962E70.1Confident62.3Low127 Ų127100.4 Ų100.459%0.59354%0.539SS*.Hα-helixtrans-67.2-41.3178.1-176.3167.2-156.700112A958 Q959 M965 N966A958-E962 WeakPolarHBondContact O-CB 3.46Å; A958-E962 PolarHBondContact O-N 2.66Å; Q959-E962 PolarHBondContact O-N 3.5Å; E962-M965 PolarHBondContact O-N 3.37Å; E962-N966 WeakPolarHBondContact CG-ND2 3.44Å; E962-N966 WeakPolarHBondContact O-CB 3.32Å; E962-N966 PolarHBondContact O-N 3.39Å; E962-N966 PolarHBondContact O-ND2 3.18Å
963E65.3Low63.2Low134 Ų134101.5 Ų101.563%0.62653%0.533SS*.Hα-helixtrans-67.9-38.8175.8-170.8163.1-148.100111.9Q959 N966 T967Q959-E963 PolarHBondContact O-N 2.74Å; E963-N966 PolarHBondContact O-N 2.77Å; E963-T967 WeakPolarHBondContact O-CB 3.42Å; E963-T967 PolarHBondContact O-N 2.98Å; E963-T967 PolarHBondContact O-OG1 3.28Å
964T70.2Confident63.2Low99 Ų99102.9 Ų102.961%0.60754%0.537SS*.Hα-helixtrans-63.1-45.6172.3-57.90000111.5D960 I961 T967 A968D960-T964 VanDerWaalsContact O-CB 3.26Å; D960-T964 WeakPolarHBondContact O-CB 3.44Å; D960-T964 PolarHBondContact O-N 3.44Å; D960-T964 PolarHBondContact O-OG1 2.85Å; I961-T964 PolarHBondContact O-N 3.19Å; T964-T967 PolarHBondContact O-N 2.85Å; T964-A968 PolarHBondContact O-N 3.19Å
965M56.4Low63.2Low112 Ų112103.2 Ų103.255%0.55253%0.533SS*.Hα-helixtrans-63.3-44.4176.9-88.7-174.553.500112.5I961 E962 T967 A968 L969I961-M965 HydrophobicContact CG2-SD 4.49Å; I961-M965 WeakPolarHBondContact O-CB 3.5Å; I961-M965 PolarHBondContact O-N 3.16Å; E962-M965 PolarHBondContact O-N 3.37Å; M965-T967 VanDerWaalsContact C-N 3.3Å; M965-T967 PolarHBondContact O-N 2.96Å; M965-A968 PolarHBondContact O-N 3.2Å; M965-L969 WeakPolarHBondContact O-CB 3.31Å; M965-L969 VanDerWaalsContact O-CG 3.24Å; M965-L969 WeakPolarHBondContact O-CG 3.35Å; M965-L969 PolarHBondContact O-N 3.33Å
966N66.2Low62.7Low81 Ų81101.8 Ų101.843%0.43353%0.526SS..Hα-helixtrans-66.8-32.7178.7-79.8-67.9000112.1E962 E963 N970E962-N966 WeakPolarHBondContact CG-ND2 3.44Å; E962-N966 WeakPolarHBondContact O-CB 3.32Å; E962-N966 PolarHBondContact O-N 3.39Å; E962-N966 PolarHBondContact O-ND2 3.18Å; E963-N966 PolarHBondContact O-N 2.77Å; N966-N970 PolarHBondContact O-N 2.95Å; N966-N970 VanDerWaalsContact O-N 3.13Å; N966-N970 PolarHBondContact O-ND2 2.78Å
967T74.6Confident62.3Low74 Ų74107.3 Ų107.345%0.45454%0.539SS..Hα-helixtrans-64-53.3172-56.30000110.7E963 T964 M965 L969 N970 E971E963-T967 WeakPolarHBondContact O-CB 3.42Å; E963-T967 PolarHBondContact O-N 2.98Å; E963-T967 PolarHBondContact O-OG1 3.28Å; T964-T967 PolarHBondContact O-N 2.85Å; M965-T967 VanDerWaalsContact C-N 3.3Å; M965-T967 PolarHBondContact O-N 2.96Å; T967-L969 VanDerWaalsContact C-N 3.32Å; T967-L969 PolarHBondContact O-N 3.11Å; T967-N970 PolarHBondContact O-N 3.07Å; T967-N970 VanDerWaalsContact O-N 3.1Å; T967-E971 PolarHBondContact O-N 3.04Å
968A58.8Low61.4Low54 Ų54109.5 Ų109.545%0.44655%0.547SS..Hα-helixtrans-61.4-35.9178.800000113.3T964 M965 E971 L972T964-A968 PolarHBondContact O-N 3.19Å; M965-A968 PolarHBondContact O-N 3.2Å; A968-E971 PolarHBondContact O-N 3.48Å; A968-L972 WeakPolarHBondContact O-CB 3.46Å; A968-L972 PolarHBondContact O-N 3.01Å
969L62.7Low60.5Low80 Ų80111.9 Ų111.942%0.41956%0.56SS.*Hα-helixtrans-69.5-29.9175.6-75.1168.6000113M965 T967 R973M965-L969 WeakPolarHBondContact O-CB 3.31Å; M965-L969 VanDerWaalsContact O-CG 3.24Å; M965-L969 WeakPolarHBondContact O-CG 3.35Å; M965-L969 PolarHBondContact O-N 3.33Å; T967-L969 VanDerWaalsContact C-N 3.32Å; T967-L969 PolarHBondContact O-N 3.11Å; L969-R973 WeakPolarHBondContact O-CG 3.19Å; L969-R973 PolarHBondContact O-N 2.95Å
970N63.6Low59.3Low101 Ų101109.8 Ų109.854%0.5456%0.561SS.*Hα-helixtrans-74.7-42.7172.2-77.8-36.1000111.5N966 T967 L972 R973 E974N966-N970 PolarHBondContact O-N 2.95Å; N966-N970 VanDerWaalsContact O-N 3.13Å; N966-N970 PolarHBondContact O-ND2 2.78Å; T967-N970 PolarHBondContact O-N 3.07Å; T967-N970 VanDerWaalsContact O-N 3.1Å; N970-L972 VanDerWaalsContact C-N 3.28Å; N970-L972 PolarHBondContact O-N 2.81Å; N970-R973 PolarHBondContact O-N 2.96Å; N970-E974 WeakPolarHBondContact O-CB 3.46Å; N970-E974 PolarHBondContact O-N 3.15Å
971E69.1Low58.1Low126 Ų126108.8 Ų108.859%0.58957%0.566SS**Hα-helixtrans-58.7-40.1173.4-69.1-177160.900111.6T967 A968 E974 L975T967-E971 PolarHBondContact O-N 3.04Å; A968-E971 PolarHBondContact O-N 3.48Å; E971-E974 PolarHBondContact O-N 3.47Å; E971-L975 WeakPolarHBondContact O-CG 3.45Å; E971-L975 PolarHBondContact O-N 2.78Å
972L56.4Low56.3Low102 Ų102113.8 Ų113.853%0.53458%0.584SS.*Hα-helixtrans-63.1-43.9176-158.175.1000112.4A968 N970 E974 L975 E976A968-L972 WeakPolarHBondContact O-CB 3.46Å; A968-L972 PolarHBondContact O-N 3.01Å; N970-L972 VanDerWaalsContact C-N 3.28Å; N970-L972 PolarHBondContact O-N 2.81Å; L972-E974 VanDerWaalsContact C-N 3.33Å; L972-E974 PolarHBondContact O-N 2.97Å; L972-L975 WeakPolarHBondContact O-CB 3.31Å; L972-L975 PolarHBondContact O-N 2.62Å; L972-E976 PolarHBondContact O-N 2.95Å
973R62.3Low54.6Low168 Ų168117.2 Ų117.263%0.63460%0.6SS**Hα-helixtrans-66.6-33.2175.2-72.6174.3-177.4-157.42112.9L969 N970 L975 E976 R977L969-R973 WeakPolarHBondContact O-CG 3.19Å; L969-R973 PolarHBondContact O-N 2.95Å; N970-R973 PolarHBondContact O-N 2.96Å; R973-L975 VanDerWaalsContact C-N 3.33Å; R973-E976 PolarHBondContact O-N 2.94Å; R973-R977 PolarHBondContact O-N 2.92Å
974E56.8Low53Low114 Ų114115 Ų11553%0.53360%0.604SS.*Hα-helixtrans-71.3-30.2175.7-165.5114.1-119.300111.2N970 E971 L972 Q978N970-E974 WeakPolarHBondContact O-CB 3.46Å; N970-E974 PolarHBondContact O-N 3.15Å; E971-E974 PolarHBondContact O-N 3.47Å; L972-E974 VanDerWaalsContact C-N 3.33Å; L972-E974 PolarHBondContact O-N 2.97Å; E974-Q978 WeakPolarHBondContact O-CG 3.21Å; E974-Q978 PolarHBondContact O-N 3.38Å; E974-Q978 PolarHBondContact O-NE2 3.27Å
975L56Low51.4Low105 Ų105115.7 Ų115.755%0.5561%0.611SS.*Hα-helixtrans-70.9-43.1169.6-74.4163.4000112.5E971 L972 R973 R977 Q978 S979E971-L975 WeakPolarHBondContact O-CG 3.45Å; E971-L975 PolarHBondContact O-N 2.78Å; L972-L975 WeakPolarHBondContact O-CB 3.31Å; L972-L975 PolarHBondContact O-N 2.62Å; R973-L975 VanDerWaalsContact C-N 3.33Å; L975-R977 VanDerWaalsContact C-N 3.26Å; L975-R977 PolarHBondContact O-N 2.89Å; L975-Q978 WeakPolarHBondContact O-CA 3.48Å; L975-Q978 WeakPolarHBondContact O-CB 3.27Å; L975-Q978 PolarHBondContact O-N 3.13Å; L975-S979 PolarHBondContact O-N 3.33Å
976E47.5Very low50.2Low123 Ų123117.5 Ų117.558%0.57562%0.623SS**Hα-helixtrans-59.6-36.1172.5-70.2179137.200112.2L972 R973 Q978 S979 S980L972-E976 PolarHBondContact O-N 2.95Å; R973-E976 PolarHBondContact O-N 2.94Å; E976-Q978 PolarHBondContact O-N 3.26Å; E976-S979 PolarHBondContact O-OG 3.32Å; E976-S979 VanDerWaalsContact O-OG 3.1Å; E976-S980 PolarHBondContact O-N 2.85Å; E976-S980 PolarHBondContact O-OG 3.1Å
977R50.6Low48.6Very low189 Ų189119.2 Ų119.271%0.71364%0.636SS**Hα-helixtrans-68.2-16.8172.4-107.6177.859.787.12.1114.2R973 L975R973-R977 PolarHBondContact O-N 2.92Å; L975-R977 VanDerWaalsContact C-N 3.26Å; L975-R977 PolarHBondContact O-N 2.89Å
978Q45.1Very low46.5Very low129 Ų129121.3 Ų121.360%0.60365%0.648SS**Hα-helixtrans-96.5-32.5177.4-73.717072.700112.2E974 L975 E976 S980E974-Q978 WeakPolarHBondContact O-CG 3.21Å; E974-Q978 PolarHBondContact O-N 3.38Å; E974-Q978 PolarHBondContact O-NE2 3.27Å; L975-Q978 WeakPolarHBondContact O-CA 3.48Å; L975-Q978 WeakPolarHBondContact O-CB 3.27Å; L975-Q978 PolarHBondContact O-N 3.13Å; E976-Q978 PolarHBondContact O-N 3.26Å; Q978-S980 VanDerWaalsContact C-N 3.35Å
979S39.1Very low45.1Very low105 Ų105126.6 Ų126.673%0.73467%0.668SS**Hα-helixtrans-68.3-33.1176.165.20000113L975 E976 A981L975-S979 PolarHBondContact O-N 3.33Å; E976-S979 PolarHBondContact O-OG 3.32Å; E976-S979 VanDerWaalsContact O-OG 3.1Å; S979-A981 PolarHBondContact O-N 3.14Å
980S37.8Very low43.6Very low92 Ų92129.4 Ų129.464%0.64368%0.683SS**THydrogen-bonded Turntrans-76.24.6-178.246.50000115.4E976 Q978 K982E976-S980 PolarHBondContact O-N 2.85Å; E976-S980 PolarHBondContact O-OG 3.1Å; Q978-S980 VanDerWaalsContact C-N 3.35Å; S980-K982 PolarHBondContact O-N 3.14Å
981A37.7Very low42Very low75 Ų75130.7 Ų130.762%0.6270%0.695SS**  trans-98.242-165.300000116.3S979S979-A981 PolarHBondContact O-N 3.14Å
982K37.2Very low40.1Very low199 Ų199132 Ų13287%0.86571%0.705SS**  trans-134.675.3169.4-76.9-170.6-178.7173.70114S980S980-K982 PolarHBondContact O-N 3.14Å
983H33.5Very low39Very low199 Ų199136.1 Ų136.192%0.92172%0.722SS**  trans-135.3130149-119.756.8000109.4
984A32Very low37.4Very low88 Ų88135.5 Ų135.573%0.72773%0.726SS**  trans-114.5149.3175.700000108.6
985P36.6Very low35.9Very low114 Ų114138.5 Ų138.574%0.7473%0.733SS**  trans-84.9149.4-15132.2-36.9000114.4
986D31.8Very low34.5Very low150 Ų150140.5 Ų140.580%0.80274%0.739SS**  trans-68.9137.9163.4-168.45.9000110.3
987V30.9Very low33.4Very low116 Ų116140.8 Ų140.870%0.70375%0.75SS**  trans-137.995.1-177.2-178.20000109.4
988V32.1Very low32.2Very low119 Ų119136.7 Ų136.772%0.72176%0.756SS**  trans-71.1133.5174178.60000110.7
989L29.5Very low31.4Very low165 Ų165134.3 Ų134.386%0.86477%0.766SS**  trans-144134.2154.8-103.4175.3000110.9
990D30.9Very low30.9Very low138 Ų138135.8 Ų135.874%0.73878%0.776SS**  trans-65.2153.5-177-79.1-68.3000114.7
991T30.1Very low30.4Very low129 Ų129135.1 Ų135.179%0.79178%0.784SS**  -175.1157.4104.223.70000114.7
992L27.8Very low29.9Very low152 Ų152135.7 Ų135.780%0.79680%0.798SS**  trans77.973.9160.4-69.6153.8000119.3
993E33.6Very low29.4Very low189 Ų189130.3 Ų130.388%0.88380%0.798SS**  trans-78.1144.7131.1-78.8-159.8129.500110.5
994Q29.2Very low29.2Very low155 Ų155124.4 Ų124.472%0.72479%0.792SS**  trans-149.5120.1148.1-91.9-149.921.100114.2
995R25Very low30Very low178 Ų178125.8 Ų125.867%0.67279%0.793SS**  trans81.2115.5139.1-64.7176.864.5159.81.3121.6
996Q26.1Very low29.7Very low147 Ų147126.1 Ų126.169%0.68779%0.793SS**  70.8119129.1-62.7165.9-19.200116.5
997T25.8Very low29.6Very low129 Ų129127.6 Ų127.679%0.79180%0.797SS**  cis-153.1143.649.438.50000110
998A25Very low29.7Very low102 Ų102126.1 Ų126.184%0.84380%0.797SS**  63.4113.462.900000113.8
999G28.2Very low29.6Very low80 Ų80125.6 Ų125.683%0.82580%0.799SS**  trans-156.2-34.1-169.100000121.4
1000S28.1Very low29.7Very low135 Ų135122.2 Ų122.294%0.94479%0.789SS**  trans60.8140.2168.6-161.60000121.1
1001G27.3Very low29.5Very low79 Ų79122.6 Ų122.681%0.81479%0.791SS**  trans135.1113.8156.600000115.7
1002G28.1Very low29.5Very low87 Ų87125.1 Ų125.190%0.89779%0.794SS**  cis148.6110.2-10.600000113.5
1003G26.8Very low29.5Very low85 Ų85122.2 Ų122.288%0.87679%0.786SS**  trans179.3124.1174.100000112.1
1004G28.7Very low29.3Very low76 Ų76121.3 Ų121.378%0.78479%0.787SS**  trans-107.8-144-17300000114.1
1005P48.8Very low29.5Very low116 Ų116118.4 Ų118.475%0.75378%0.783SS**  cis-138.2155.718.242.1-24.1000118.9
1006T29.2Very low30.5Very low121 Ų121115.6 Ų115.674%0.74279%0.788SS**  trans49.8111.8144.256.40000123.6
1007M30.7Very low30.7Very low182 Ų182115.4 Ų115.490%0.89779%0.79SS**  44.9140110.3-63-154.980.700121
1008A32.4Very low31Very low85 Ų85118.2 Ų118.270%0.70279%0.794SS**  cis-154.2-165.61.800000109.2
1009S31.1Very low31.1Very low108 Ų108116.5 Ų116.576%0.75579%0.786SS**  cis-151.2-154.74.655.50000108.5
1010S30.1Very low31.1Very low94 Ų94119.2 Ų119.266%0.65779%0.787SS**  cis-169.4175.21.721.50000110
1011N27.8Very low31Very low146 Ų146120.3 Ų120.378%0.78178%0.779SS**  trans68.5100.5164-65.617.2000120.3
1012E29.3Very low31Very low182 Ų182123.4 Ų123.485%0.8578%0.776SS**  27147.1103-69.4-172.3166.600120.9
1013S29.1Very low31Very low91 Ų91129.7 Ų129.764%0.63677%0.773SS**  cis-171.4151.4-4.353.40000115.4
1014L28.3Very low30.8Very low169 Ų169130.5 Ų130.589%0.88577%0.765SS**  trans85.4155.9131.1-80.4168.2000124.8
1015S32.8Very low30.7Very low94 Ų94133.2 Ų133.266%0.65777%0.767SS**  trans-117.4179.6-170.1-420000112.7
1016P46.2Very low29.7Very low120 Ų120131.5 Ų131.578%0.77976%0.762SS**  -145.5162.6103.341.2-26.3000113.6
1017I31.8Very low29.6Very low142 Ų142133 Ų13373%0.72877%0.765SS**  cis77.2127.232.2-59178.6000112.4
1018H30.5Very low29.4Very low188 Ų188130.9 Ų130.987%0.8776%0.763SS**  cis-166162.7-13.3-128.4-100.8000107.9
1019G27.3Very low29.1Very low66 Ų66135.1 Ų135.168%0.6877%0.768SS**  trans158.9112.4156.700000122.7
1020V27.7Very low30.2Very low137 Ų137134.3 Ų134.383%0.8376%0.76SS**  trans61.4119.5137.1-169.60000123.1
1021M26.9Very low31Very low158 Ų158134.9 Ų134.978%0.77876%0.762SS**  trans5.6133.2147.2-51.2163.262.400122
1022L28.2Very low31Very low144 Ų144134.8 Ų134.875%0.75476%0.76SS**  170.9144.3106.7-92.1169.6000116.3
1023R26.6Very low31Very low220 Ų220136.6 Ų136.683%0.8376%0.759SS**  trans20.6123.5150.3-72.4-179.6176.9175.5-1.1123.8
1024S24Very low30.9Very low102 Ų102142.6 Ų142.671%0.71377%0.768SS**  68.2149.8117.2-52.70000124.9
1025T25.4Very low31Very low133 Ų133138.8 Ų138.882%0.81676%0.755SS**  trans76.5105.7148.735.80000122.6
1026A27.9Very low30.7Very low80 Ų80140.7 Ų140.766%0.66176%0.763SS**  65.7134.1119.900000123.4
1027N27.1Very low29.9Very low151 Ų151139.4 Ų139.481%0.80776%0.757SS**  trans46.4132.3145.7-50.5-0.2000119.2
1028T26.6Very low29.9Very low138 Ų138138 Ų13885%0.84776%0.76SS**  178.1156.373-54.10000111.3
1029E25.7Very low30Very low174 Ų174133.7 Ų133.781%0.81375%0.751SS**  trans-71.5-172.9171.2-96.5-164.2131.200116.4
1030P54.4Low30.3Very low91 Ų91135.3 Ų135.359%0.59175%0.752SS**  cis-117.4-93.4-22.724.2-2.3000112.5
1031P46.4Very low30.4Very low107 Ų107137.8 Ų137.870%0.69575%0.754SS**  cis-128.6113-10.432.7-9.8000117
1032I29.3Very low30.4Very low144 Ų144135.3 Ų135.374%0.73876%0.759SS**  trans46.9121134-52.4163000120.7
1033R28.1Very low30.4Very low219 Ų219137.6 Ų137.683%0.82677%0.768SS**  -169.1115.5121.3-108.4175-168.3-156.63.5116.2
1034R27.6Very low30.4Very low217 Ų217132.7 Ų132.782%0.81977%0.768SS**  trans40.5145.9133.8-62.3-176.3179.7-176.8-1.7121.3
1035S30.3Very low30.7Very low90 Ų90133.4 Ų133.463%0.62977%0.768SS**  cis176160.5-10.5-91.70000108.7
1036T27.3Very low30.6Very low133 Ų133136.6 Ų136.682%0.81677%0.771SS**  trans62.9145.2150.146.80000120.8
1037S29.7Very low30.7Very low94 Ų94141.9 Ų141.966%0.65778%0.779SS**  cis-178.3140.1-17.847.30000112.8
1038S31.9Very low31.7Very low113 Ų113140 Ų14079%0.7978%0.775SS**  trans57.5170.6149.783.80000119.2
1039S31.9Very low31.7Very low96 Ų96141.4 Ų141.467%0.67177%0.774SS**  cis-163.9156.40.511.80000112.7
1040S33Very low31.7Very low101 Ų101139 Ų13971%0.70677%0.771SS**  trans71.8118146.5-61.50000124.4
1041E30.3Very low30.6Very low189 Ų189138.8 Ų138.888%0.88378%0.777SS**  38.4132.9124.4-58.2179.1110.500124.2
1042A27.9Very low30.4Very low106 Ų106139.5 Ų139.588%0.87678%0.782SS**  -167.2158.3129.400000112.1
1043M27Very low30.5Very low192 Ų192144.1 Ų144.195%0.94679%0.79SS**  trans-90.4157.1175-52.9178.4-171.800112.6
1044S25.9Very low30.6Very low117 Ų117142.4 Ų142.482%0.81879%0.793SS**  178.7149.8116.6-163.40000114.8
1045T30.6Very low30.6Very low117 Ų117135.1 Ų135.172%0.71879%0.785SS**  trans-57.7144.4173.2-49.30000115.4
1046F24.6Very low30.6Very low200 Ų200136.7 Ų136.788%0.87779%0.791SS**  trans-168.2156.3131.2-108.4-71.1000113.9
1047K28.7Very low30.6Very low190 Ų190138.5 Ų138.583%0.82679%0.79SS**  trans-146.1165.5176.4-95-174.2179.7179.40107.3
1048P49.8Very low30.6Very low113 Ų113140.8 Ų140.873%0.73479%0.794SS**  cis-137.2-158.4-22.135.6-13.9000112.5
1049M24.6Very low30.5Very low166 Ų166144.3 Ų144.382%0.81880%0.795SS**  trans109148.1136-136.9173.590.300120.7
1050V27.1Very low30.5Very low124 Ų124145 Ų14575%0.75280%0.797SS**  trans79.9129166-171.20000118.4
1051A31Very low30.6Very low87 Ų87146.5 Ų146.572%0.71981%0.805SS**  trans-116.7165.8167.200000110
1052P41.5Very low30.6Very low122 Ų122142.4 Ų142.479%0.79280%0.803SS**  -151.4143.6111.735.9-18.3000118.3
1053R31.9Very low30.8Very low241 Ų241145.1 Ų145.191%0.90980%0.802SS**  trans35.6112.4142.3-66.2-177.3172.6179.4-2.1122.3
1054M30.8Very low31.5Very low183 Ų183146.5 Ų146.590%0.90180%0.797SS**  -154.9167.6124.2-94.5-57-179.800107.9
1055G28Very low32.4Very low63 Ų63147 Ų14765%0.64980%0.798SS**  cis110.3130.1-1.800000113.4
1056V28.8Very low32.5Very low124 Ų124149.8 Ų149.875%0.75280%0.799SS**  cis-149.7159.3-6.1163.70000108
1057Q27.7Very low33Very low171 Ų171146.6 Ų146.680%0.79980%0.799SS**  trans73.9146.8165.3-96.6176.731.100117.8
1058L29.2Very low33Very low142 Ų142145.5 Ų145.574%0.74380%0.799SS**  cis-134.8131.9-4.4-77.7156.2000107.6
1059K31.4Very low32Very low187 Ų187146.8 Ų146.881%0.81380%0.804SS**  80115.268.4-160.5178.2-175.6-1780116.4
1060P31.9Very low32.2Very low109 Ų109146.7 Ų146.771%0.70880%0.804SS**  trans-92.3171.4177.737.7-36.4000114.7
1061P33.8Very low33.4Very low134 Ų134145.6 Ų145.687%0.8780%0.799SS**  trans-75.8170.6179.731.4-36.9000115
1062A30.6Very low33.4Very low103 Ų103151.1 Ų151.185%0.85181%0.807SS**  trans-121173-164.800000115.3
1063L32.6Very low33Very low163 Ų163149.6 Ų149.685%0.85380%0.8SS**  trans-105.5161.7-173.5-72.7167.5000114.4
1064R42.1Very low32.7Very low221 Ų221145.5 Ų145.583%0.83480%0.796SS**  trans72155.5164.1-66.1177.9175.4163.70.4116.3
1065P43Very low32.6Very low128 Ų128145.9 Ų145.983%0.83180%0.795SS**  -131.1164.985.338.3-28.6000115.5
1066K33.7Very low32.7Very low174 Ų174146.9 Ų146.976%0.75780%0.797SS**  trans-95.4154.7153.4-73.2-176174.4-173.70108.5
1067P34.5Very low33.7Very low134 Ų134146.9 Ų146.987%0.8780%0.8SS**  trans-65156.2167.3-19.933.5000113
1068M28.5Very low34.1Very low166 Ų166147.5 Ų147.582%0.81880%0.803SS**  trans-118.6162.2178.4-72.2174.758.600111.7
1069V29Very low34.5Very low140 Ų140146.6 Ų146.685%0.84881%0.805SS**  trans-99.3147.9161.5177.20000108.8
1070M29.9Very low35.3Very low164 Ų164144.1 Ų144.181%0.80881%0.808SS**  trans-138.5161.3174.1-83.4-153.874.800113.5
1071P51.3Low35.5Very low101 Ų101144.2 Ų144.266%0.65682%0.818SS**  trans-131.7175.2-151.743-28000116.5
1072K32.4Very low35.4Very low203 Ų203141.6 Ų141.688%0.88382%0.816SS**  trans161.7158.7148.8-92.6163.6-177-178.30110.4
1073S31.7Very low35.5Very low91 Ų91141.8 Ų141.864%0.63682%0.817SS**  cis-172.1149.5-7.344.60000112.1
1074N26.3Very low35.5Very low155 Ų155138.5 Ų138.583%0.82981%0.814SS**  trans157.5173133.6-80.6-4.3000114.5
1075Q29.1Very low35.1Very low191 Ų191137.6 Ų137.689%0.89382%0.819SS**  trans-129.4-177.3179.8-55.8178.2-12.400108.9
1076A30Very low34.9Very low84 Ų84138.8 Ų138.869%0.69482%0.818SS**  cis-155.6-155.811.300000107.4
1077P49.9Very low35.9Very low123 Ų123135.6 Ų135.680%0.79982%0.816SS**  cis-133.7-161-10.741.3-20.8000114.2
1078Q35.1Very low36.1Very low185 Ų185136.7 Ų136.786%0.86481%0.813SS**  trans-87.6165.7178.6-67.5-178.6-40.300115.2
1079P38.4Very low36.5Very low123 Ų123134.4 Ų134.480%0.79980%0.804SS**  trans-129.2171.3131.28.714.2000114.9
1080P48.5Very low36.9Very low135 Ų135135.9 Ų135.988%0.87780%0.799SS**  trans-108.3-169-167.642.5-36000116
1081A35.7Very low37.1Very low110 Ų110133.6 Ų133.691%0.90980%0.799SS**  trans-102162.4-167.200000116.6
1082G31.7Very low36.2Very low80 Ų80134.3 Ų134.383%0.82581%0.805SS**  trans160.3138.3169.200000111.2
1083A32.3Very low36.1Very low107 Ų107130.6 Ų130.688%0.88480%0.8SS**  trans-141.4138.3-170.600000114.3
1084A33.3Very low36.1Very low94 Ų94138.3 Ų138.378%0.77783%0.829SS**  trans-167.9125.1156.500000113
1085Q33.1Very low36.6Very low201 Ų201137.5 Ų137.594%0.93983%0.829SS**  trans67.4144.5151.5-63.8-178.3-3000122.1
1086D38.8Very low37Very low153 Ų153134.6 Ų134.682%0.81883%0.826SS**  trans-76.9174.1179.1-94.9-57.7000114.1
1087P54.3Low37.4Very low108 Ų108137.4 Ų137.470%0.70183%0.833SS**  cis-139.3175.117.342-24.1000119.3
1088L38.2Very low36.6Very low157 Ų157138.3 Ų138.382%0.82284%0.835SS**  trans91.5114.8145.2-87.1162.7000123
1089D37.7Very low36.7Very low117 Ų117135.4 Ų135.463%0.62683%0.833SS**  110.5125.4128.3-150.329.6000121.6
1090K36.6Very low36.6Very low171 Ų171136.2 Ų136.274%0.74384%0.835SS**  trans74.4139.9159-82.4160.2-168.9122.70125.6
1091S35.7Very low35.8Very low116 Ų116136.3 Ų136.381%0.81183%0.832SS**  trans97.6135.7155.875.30000120.3
1092C31.6Very low35.8Very low116 Ų116138.3 Ų138.378%0.78483%0.826SS**  trans13.1149156.3-58.70000121.5
1093T30.6Very low36.1Very low125 Ų125143.2 Ų143.277%0.76783%0.827SS**  cis-164.1156.47.3-0.10000110.3
1094M31.1Very low36.4Very low253 Ų253146.5 Ų146.5100%1.24682%0.821SS**  trans157.50134.4-84.9-62.8-67.900109.1

Retrieved 1,094 of 1,094 residues in 1477.5 ms (Link to these results)

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