X2JEK7_DROME Loading...

CID domain-containing protein

AlphaFold DB , UniProt , Accession X2JEK7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG15160, Length 818 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
1M35.8Very low78.4Confident238 Ų23898.8 Ų98.8100%1.17251%0.511SS*.  0162.20-63.487.1170.600109
2T46.6Very low79.8Confident132 Ų13297.4 Ų97.481%0.8151%0.51SS*.PPolyproline II helixtrans-83.1117.1162.346.20000108.3T4T2-T4 PolarHBondContact O-N 3.18Å
3E60.3Low80.9Confident160 Ų16097.6 Ų97.675%0.74850%0.5SS*.PPolyproline II helixtrans-59.5127.4172-72.2173.2113.800109.6F5E3-F5 PolarHBondContact O-N 3.46Å
4T77.7Confident82Confident134 Ų13490.6 Ų90.682%0.82246%0.464SS*.PPolyproline II helixtrans-67.3120.6174.640.90000108.8T2 D6T2-T4 PolarHBondContact O-N 3.18Å; T4-D6 PolarHBondContact O-N 3.45Å
5F86.3Confident82.8Confident23 Ų2390.1 Ų90.110%0.10146%0.459CS..  trans-68103.8178.3-171.5-87.4000110.1E3 E7 F10 W30 H34 N37 K40 I41E3-F5 PolarHBondContact O-N 3.46Å; F5-E7 HydrophobicContact CD1-CG 3.74Å; F5-E7 HydrophobicContact CE1-CG 3.88Å; F5-E7 PolarHBondContact O-N 3.42Å; F5-F10 HydrophobicContact CE1-CB 4.5Å; F5-F10 HydrophobicContact CE1-CD1 4.3Å; F5-F10 HydrophobicContact CZ-CB 4.23Å; F5-F10 AromaticContact CZ-CD1 3.74Å; F5-F10 HydrophobicContact CZ-CD1 3.74Å; F5-F10 HydrophobicContact CZ-CE1 4.35Å; F5-F10 HydrophobicContact CZ-CG 4.05Å; F5-W30 HydrophobicContact CD2-CH2 4.11Å; F5-W30 AromaticContact CE2-CH2 3.45Å; F5-W30 HydrophobicContact CE2-CH2 3.45Å; F5-W30 VanDerWaalsContact CE2-CH2 3.45Å; F5-W30 AromaticContact CE2-CZ3 3.71Å; F5-W30 HydrophobicContact CE2-CZ3 3.71Å; F5-W30 HydrophobicContact CZ-CH2 4.01Å; F5-W30 HydrophobicContact CZ-CZ3 4.14Å; F5-H34 HydrophobicContact CD2-CB 4.47Å; F5-H34 HydrophobicContact CE2-CB 4.34Å; F5-N37 HydrophobicContact CB-CB 4.3Å; F5-N37 HydrophobicContact CD2-CB 3.61Å; F5-N37 WeakPolarHBondContact CD2-ND2 3.28Å; F5-N37 HydrophobicContact CE2-CB 4.05Å; F5-N37 HydrophobicContact CG-CB 3.96Å; F5-K40 HydrophobicContact CB-CD 4.17Å; F5-K40 HydrophobicContact CD1-CB 3.84Å; F5-K40 HydrophobicContact CD1-CD 3.56Å; F5-K40 HydrophobicContact CD1-CG 4.37Å; F5-K40 HydrophobicContact CE1-CB 3.7Å; F5-K40 HydrophobicContact CE1-CD 4.28Å; F5-K40 HydrophobicContact CG-CD 4.09Å; F5-K40 HydrophobicContact CZ-CB 4.34Å; F5-I41 HydrophobicContact CE2-CD1 4.1Å; F5-I41 HydrophobicContact CE2-CG1 3.53Å; F5-I41 HydrophobicContact CZ-CG1 3.52Å
6D90.7Very high83.5Confident82 Ų8289.1 Ų89.144%0.43947%0.468SS..  trans-72.5113.2170.1-171.9-22.8000109.3T4 E8 L9 F10T4-D6 PolarHBondContact O-N 3.45Å; D6-E8 PolarHBondContact OD1-N 3.03Å; D6-L9 HydrophobicContact CB-CB 4.05Å; D6-L9 PolarHBondContact OD1-N 3.22Å; D6-L9 VanDerWaalsContact OD2-CB 3.25Å; D6-L9 WeakPolarHBondContact OD2-CB 3.33Å; D6-F10 WeakPolarHBondContact O-CB 3.47Å
7E92.2Very high84.2Confident62 Ų6284.4 Ų84.429%0.2944%0.443SS..Hα-helixtrans-78.2-33.9179-68.2-179.5-136.500111.2F5 F10 E11 K40F5-E7 HydrophobicContact CD1-CG 3.74Å; F5-E7 HydrophobicContact CE1-CG 3.88Å; F5-E7 PolarHBondContact O-N 3.42Å; E7-F10 PolarHBondContact O-N 2.61Å; E7-E11 WeakPolarHBondContact O-CG 3.39Å; E7-E11 PolarHBondContact O-N 3.19Å; E7-K40 HydrophobicContact CG-CD 4.11Å; E7-K40 VanDerWaalsContact OE1-CD 3.32Å; E7-K40 WeakPolarHBondContact OE1-CD 3.35Å; E7-K40 WeakPolarHBondContact OE1-CE 3.42Å; E7-K40 IonicContact OE1-NZ 3.16Å; E7-K40 PolarHBondContact OE1-NZ 3.43Å
8E90.6Very high84.7Confident152 Ų15288.4 Ų88.471%0.7146%0.457SS*.Hα-helixtrans-75.1-49.9-175-174165.9-163.200110.8D6 F10 E11 T12D6-E8 PolarHBondContact OD1-N 3.03Å; E8-F10 PolarHBondContact O-N 3.14Å; E8-E11 PolarHBondContact O-N 2.91Å; E8-E11 VanDerWaalsContact O-N 3.1Å; E8-T12 PolarHBondContact O-N 3.12Å; E8-T12 PolarHBondContact O-OG1 3.34Å; E8-T12 VanDerWaalsContact O-OG1 3.06Å
9L91.8Very high85.2Confident77 Ų7788.8 Ų88.840%0.40346%0.46SS..Hα-helixtrans-57.5-34.3173.4178.562.5000112.1D6 R13D6-L9 HydrophobicContact CB-CB 4.05Å; D6-L9 PolarHBondContact OD1-N 3.22Å; D6-L9 VanDerWaalsContact OD2-CB 3.25Å; D6-L9 WeakPolarHBondContact OD2-CB 3.33Å; L9-R13 WeakPolarHBondContact O-CB 3.17Å; L9-R13 WeakPolarHBondContact O-CD 3.36Å; L9-R13 WeakPolarHBondContact O-CG 3.22Å; L9-R13 PolarHBondContact O-N 3.41Å; L9-R13 VanDerWaalsContact O-N 3.09Å
10F95Very high85.7Confident2 Ų287.7 Ų87.71%0.00946%0.457CS..Hα-helixtrans-73.9-41.8175.8-178-120.9000112.3F5 D6 E7 E8 R13 L14 M27 W30 I41 C44F5-F10 HydrophobicContact CE1-CB 4.5Å; F5-F10 HydrophobicContact CE1-CD1 4.3Å; F5-F10 HydrophobicContact CZ-CB 4.23Å; F5-F10 AromaticContact CZ-CD1 3.74Å; F5-F10 HydrophobicContact CZ-CD1 3.74Å; F5-F10 HydrophobicContact CZ-CE1 4.35Å; F5-F10 HydrophobicContact CZ-CG 4.05Å; D6-F10 WeakPolarHBondContact O-CB 3.47Å; E7-F10 PolarHBondContact O-N 2.61Å; E8-F10 PolarHBondContact O-N 3.14Å; F10-R13 PolarHBondContact O-N 3.07Å; F10-L14 HydrophobicContact CD1-CD1 4.17Å; F10-L14 HydrophobicContact CD2-CG 4.39Å; F10-L14 HydrophobicContact CE1-CD1 3.63Å; F10-L14 HydrophobicContact CE1-CG 4.19Å; F10-L14 HydrophobicContact CE2-CD1 4.31Å; F10-L14 HydrophobicContact CE2-CD2 3.97Å; F10-L14 HydrophobicContact CE2-CG 3.97Å; F10-L14 HydrophobicContact CZ-CD1 3.71Å; F10-L14 HydrophobicContact CZ-CD2 3.87Å; F10-L14 HydrophobicContact CZ-CG 3.86Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 3Å; F10-M27 HydrophobicContact CD2-SD 4.43Å; F10-M27 HydrophobicContact CE2-SD 3.9Å; F10-W30 HydrophobicContact CB-CH2 4.15Å; F10-W30 HydrophobicContact CB-CZ3 4.34Å; F10-W30 HydrophobicContact CD1-CZ3 4.41Å; F10-W30 AromaticContact CD2-CE3 3.73Å; F10-W30 HydrophobicContact CD2-CE3 3.73Å; F10-W30 AromaticContact CD2-CH2 3.77Å; F10-W30 HydrophobicContact CD2-CH2 3.77Å; F10-W30 AromaticContact CD2-CZ3 3.16Å; F10-W30 HydrophobicContact CD2-CZ3 3.16Å; F10-W30 AromaticContact CE2-CE3 3.66Å; F10-W30 HydrophobicContact CE2-CE3 3.66Å; F10-W30 HydrophobicContact CE2-CH2 4.45Å; F10-W30 AromaticContact CE2-CZ3 3.43Å; F10-W30 HydrophobicContact CE2-CZ3 3.43Å; F10-W30 VanDerWaalsContact CE2-CZ3 3.43Å; F10-W30 HydrophobicContact CG-CH2 4.03Å; F10-W30 AromaticContact CG-CZ3 3.72Å; F10-W30 HydrophobicContact CG-CZ3 3.72Å; F10-W30 HydrophobicContact CZ-CZ3 4.17Å; F10-I41 HydrophobicContact CE1-CB 4.27Å; F10-I41 HydrophobicContact CE1-CG1 4.38Å; F10-I41 HydrophobicContact CE1-CG2 3.98Å; F10-I41 HydrophobicContact CZ-CG2 3.97Å; F10-C44 HydrophobicContact CD1-CB 3.54Å; F10-C44 HydrophobicContact CE1-CB 3.85Å
11E95.2Very high86.1Confident25 Ų2590.7 Ų90.712%0.11747%0.469CS..Hα-helixtrans-60.8-45.3173.3-73.2-167.7174.100111.6E7 E8 R13 L14 E15 C44 N47 V48 R51E7-E11 WeakPolarHBondContact O-CG 3.39Å; E7-E11 PolarHBondContact O-N 3.19Å; E8-E11 PolarHBondContact O-N 2.91Å; E8-E11 VanDerWaalsContact O-N 3.1Å; E11-R13 VanDerWaalsContact C-N 3.32Å; E11-R13 PolarHBondContact O-N 3.45Å; E11-L14 WeakPolarHBondContact O-CB 3.32Å; E11-L14 PolarHBondContact O-N 3.04Å; E11-L14 VanDerWaalsContact O-N 3.1Å; E11-E15 PolarHBondContact O-N 3.49Å; E11-C44 HydrophobicContact CG-CB 3.67Å; E11-C44 WeakPolarHBondContact OE1-CA 3.44Å; E11-N47 WeakPolarHBondContact OE1-CB 3.43Å; E11-N47 PolarHBondContact OE1-ND2 2.96Å; E11-V48 HydrophobicContact CB-CG2 3.65Å; E11-V48 HydrophobicContact CG-CG2 3.72Å; E11-R51 IonicContact OE1-NH2 2.75Å; E11-R51 IonicContact OE2-CZ 2.58Å; E11-R51 IonicContact OE2-NH1 3.17Å; E11-R51 PolarHBondContact OE2-NH1 3.23Å; E11-R51 IonicContact OE2-NH2 3.11Å; E11-R51 PolarHBondContact OE2-NH2 3.32Å
12T95.2Very high88.8Confident82 Ų8286.2 Ų86.250%0.50345%0.445SS..Hα-helixtrans-58.4-41.6174-50.50000112.3E8 L14 E15 A16E8-T12 PolarHBondContact O-N 3.12Å; E8-T12 PolarHBondContact O-OG1 3.34Å; E8-T12 VanDerWaalsContact O-OG1 3.06Å; T12-L14 VanDerWaalsContact C-N 3.32Å; T12-L14 PolarHBondContact O-N 3.34Å; T12-E15 PolarHBondContact O-N 3.32Å; T12-A16 WeakPolarHBondContact O-CB 3.38Å; T12-A16 PolarHBondContact O-N 3.11Å
13R94.4Very high91.1Very high100 Ų10080.8 Ų80.838%0.37742%0.415SS..Hα-helixtrans-65.9-31.3176.5-79.9172.4-178.7-167.71.9113.4L9 F10 E11 L17 M27L9-R13 WeakPolarHBondContact O-CB 3.17Å; L9-R13 WeakPolarHBondContact O-CD 3.36Å; L9-R13 WeakPolarHBondContact O-CG 3.22Å; L9-R13 PolarHBondContact O-N 3.41Å; L9-R13 VanDerWaalsContact O-N 3.09Å; F10-R13 PolarHBondContact O-N 3.07Å; E11-R13 VanDerWaalsContact C-N 3.32Å; E11-R13 PolarHBondContact O-N 3.45Å; R13-L17 PolarHBondContact O-N 3.21Å; R13-M27 HydrophobicContact CB-CE 3.87Å; R13-M27 HydrophobicContact CB-SD 4.45Å
14L96.1Very high92.9Very high0 Ų073.9 Ų73.90%038%0.383CS..Hα-helixtrans-75.3-33.3173.6-71-179000112.4F10 E11 T12 L17 M27 W45 V48 H56 L60 L63F10-L14 HydrophobicContact CD1-CD1 4.17Å; F10-L14 HydrophobicContact CD2-CG 4.39Å; F10-L14 HydrophobicContact CE1-CD1 3.63Å; F10-L14 HydrophobicContact CE1-CG 4.19Å; F10-L14 HydrophobicContact CE2-CD1 4.31Å; F10-L14 HydrophobicContact CE2-CD2 3.97Å; F10-L14 HydrophobicContact CE2-CG 3.97Å; F10-L14 HydrophobicContact CZ-CD1 3.71Å; F10-L14 HydrophobicContact CZ-CD2 3.87Å; F10-L14 HydrophobicContact CZ-CG 3.86Å; F10-L14 WeakPolarHBondContact O-CG 3.43Å; F10-L14 PolarHBondContact O-N 3Å; E11-L14 WeakPolarHBondContact O-CB 3.32Å; E11-L14 PolarHBondContact O-N 3.04Å; E11-L14 VanDerWaalsContact O-N 3.1Å; T12-L14 VanDerWaalsContact C-N 3.32Å; T12-L14 PolarHBondContact O-N 3.34Å; L14-L17 WeakPolarHBondContact O-CB 3.17Å; L14-L17 PolarHBondContact O-N 3.24Å; L14-M27 HydrophobicContact CD2-CG 4.06Å; L14-M27 HydrophobicContact CD2-SD 4.4Å; L14-W45 HydrophobicContact CD1-CB 4.16Å; L14-V48 HydrophobicContact CB-CB 4.31Å; L14-V48 HydrophobicContact CB-CG1 4.04Å; L14-V48 HydrophobicContact CB-CG2 4.12Å; L14-V48 HydrophobicContact CD1-CG2 4.34Å; L14-H56 PolarHBondContact O-NE2 3.11Å; L14-L60 HydrophobicContact CB-CD2 4.18Å; L14-L60 HydrophobicContact CD2-CD2 4.12Å; L14-L63 HydrophobicContact CD2-CD2 3.35Å
15E94.4Very high93.7Very high83 Ų8371.7 Ų71.739%0.38836%0.364SS..Hα-helixtrans-69-37.4173.3-71.8176-150.600111.9E11 T12 L17 V48 R51 V52 H56E11-E15 PolarHBondContact O-N 3.49Å; T12-E15 PolarHBondContact O-N 3.32Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 3.03Å; E15-V48 HydrophobicContact CG-CG1 3.57Å; E15-V48 HydrophobicContact CG-CG2 4.21Å; E15-R51 WeakPolarHBondContact OE1-CD 3.34Å; E15-R51 IonicContact OE1-CZ 2.64Å; E15-R51 IonicContact OE1-NE 2.66Å; E15-R51 IonicContact OE1-NH1 3.62Å; E15-R51 PolarHBondContact OE1-NH1 3.25Å; E15-V52 HydrophobicContact CG-CG1 4.32Å; E15-H56 PolarHBondContact O-CE1 3.19Å; E15-H56 PolarHBondContact O-NE2 3.42Å
16A94.3Very high94.2Very high73 Ų7376.9 Ų76.960%0.60339%0.388SS*.THydrogen-bonded Turntrans-78.2-1.6175.600000114.8T12 K18T12-A16 WeakPolarHBondContact O-CB 3.38Å; T12-A16 PolarHBondContact O-N 3.11Å; A16-K18 PolarHBondContact O-N 2.88Å
17L95.6Very high94.4Very high9 Ų974.2 Ų74.25%0.04737%0.373CS..  trans-69.7113.5-172.9-175.264.6000112.5R13 L14 E15 M27 H56 V59 L60 L63R13-L17 PolarHBondContact O-N 3.21Å; L14-L17 WeakPolarHBondContact O-CB 3.17Å; L14-L17 PolarHBondContact O-N 3.24Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 3.03Å; L17-M27 HydrophobicContact CD1-CB 3.94Å; L17-M27 HydrophobicContact CD1-CE 4.34Å; L17-M27 HydrophobicContact CD1-CG 4.29Å; L17-M27 HydrophobicContact CD2-CG 4.42Å; L17-H56 PolarHBondContact O-CE1 3.12Å; L17-V59 HydrophobicContact CD2-CG1 4.02Å; L17-V59 HydrophobicContact CG-CG1 3.93Å; L17-L60 HydrophobicContact CD2-CD2 4.39Å; L17-L63 HydrophobicContact CD2-CB 4.18Å; L17-L63 HydrophobicContact CD2-CD2 3.87Å
18K92.4Very high94.6Very high157 Ų15771.2 Ų71.268%0.68336%0.36SS*.  trans-80.9148.5179.1-59.7-178.2-178.5179.40112A16 T20A16-K18 PolarHBondContact O-N 2.88Å; K18-T20 HydrophobicContact CB-CG2 4.03Å; K18-T20 PolarHBondContact O-N 2.77Å; K18-T20 PolarHBondContact O-OG1 2.82Å
19D94.1Very high94.8Very high96 Ų9667.6 Ų67.651%0.51335%0.345SS..SBendtrans-70.170.6172.2-160.916.4000111.3V59 Y62D19-V59 HydrophobicContact CB-CG2 3.6Å; D19-Y62 WeakPolarHBondContact OD1-CD2 3.43Å
20T95.9Very high94.9Very high66 Ų6666.5 Ų66.541%0.40534%0.335SS..  trans-139133.6-175.155.60000108.1K18 E22 G23 I24K18-T20 HydrophobicContact CB-CG2 4.03Å; K18-T20 PolarHBondContact O-N 2.77Å; K18-T20 PolarHBondContact O-OG1 2.82Å; T20-E22 PolarHBondContact O-N 3.05Å; T20-G23 PolarHBondContact O-N 3.14Å; T20-G23 PolarHBondContact OG1-N 3.22Å; T20-I24 WeakPolarHBondContact O-CD1 3.49Å; T20-I24 VanDerWaalsContact O-CG1 3.3Å; T20-I24 WeakPolarHBondContact O-CG1 3.45Å; T20-I24 PolarHBondContact O-N 2.55Å
21Q93.5Very high94.8Very high151 Ų15166.4 Ų66.471%0.70634%0.335SS*.Hα-helixtrans-62.3-35-174.9-172.5162.2-62.200112Q25Q21-Q25 HydrophobicContact CG-CG 4.4Å; Q21-Q25 VanDerWaalsContact O-CB 3.28Å; Q21-Q25 WeakPolarHBondContact O-CB 3.39Å; Q21-Q25 WeakPolarHBondContact O-CG 3.44Å; Q21-Q25 PolarHBondContact O-N 3.11Å
22E93.4Very high94.6Very high145 Ų14565.7 Ų65.768%0.67833%0.332SS*.Hα-helixtrans-66.1-48.5175-64.4179.8-177.600112.2T20 I24 Q25 Q26T20-E22 PolarHBondContact O-N 3.05Å; E22-I24 PolarHBondContact O-N 3.03Å; E22-Q25 PolarHBondContact O-N 3.46Å; E22-Q26 WeakPolarHBondContact O-CB 3.25Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.41Å; E22-Q26 PolarHBondContact O-N 2.95Å
23G95.1Very high94.4Very high17 Ų1768 Ų6818%0.17534%0.337CS..Hα-helixtrans-61.6-43.2178.300000112.5T20 Q26 M27T20-G23 PolarHBondContact O-N 3.14Å; T20-G23 PolarHBondContact OG1-N 3.22Å; G23-Q26 PolarHBondContact O-N 2.76Å; G23-M27 WeakPolarHBondContact O-CB 3.47Å; G23-M27 PolarHBondContact O-N 2.98Å
24I96.5Very high94.2Very high16 Ų1664.7 Ų64.78%0.08233%0.326CS..Hα-helixtrans-63.7-43.2176.4-64.5163.2000110.7T20 E22 S28 V59 Y62 L63T20-I24 WeakPolarHBondContact O-CD1 3.49Å; T20-I24 VanDerWaalsContact O-CG1 3.3Å; T20-I24 WeakPolarHBondContact O-CG1 3.45Å; T20-I24 PolarHBondContact O-N 2.55Å; E22-I24 PolarHBondContact O-N 3.03Å; I24-S28 VanDerWaalsContact O-CB 3.23Å; I24-S28 WeakPolarHBondContact O-CB 3.38Å; I24-S28 PolarHBondContact O-N 3.33Å; I24-V59 HydrophobicContact CD1-CG1 4.22Å; I24-V59 HydrophobicContact CG1-CG1 4.17Å; I24-Y62 HydrophobicContact CD1-CD2 4.2Å; I24-L63 HydrophobicContact CG2-CB 4.43Å
25Q95.8Very high93.8Very high87 Ų8770.3 Ų70.341%0.40735%0.347SS..Hα-helixtrans-68.5-40.2177.3-76.11795.800112.9Q21 E22 S28 N29Q21-Q25 HydrophobicContact CG-CG 4.4Å; Q21-Q25 VanDerWaalsContact O-CB 3.28Å; Q21-Q25 WeakPolarHBondContact O-CB 3.39Å; Q21-Q25 WeakPolarHBondContact O-CG 3.44Å; Q21-Q25 PolarHBondContact O-N 3.11Å; E22-Q25 PolarHBondContact O-N 3.46Å; Q25-S28 PolarHBondContact O-N 3.21Å; Q25-N29 WeakPolarHBondContact O-CB 3.34Å; Q25-N29 VanDerWaalsContact O-CG 3.32Å; Q25-N29 PolarHBondContact O-N 2.89Å; Q25-N29 PolarHBondContact O-ND2 2.84Å
26Q95.7Very high93.5Very high132 Ų13270.8 Ų70.862%0.61736%0.36SS*.Hα-helixtrans-61.5-46175.3-72.5171.830.300110.7E22 G23 N29 W30E22-Q26 WeakPolarHBondContact O-CB 3.25Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.41Å; E22-Q26 PolarHBondContact O-N 2.95Å; G23-Q26 PolarHBondContact O-N 2.76Å; Q26-N29 PolarHBondContact O-N 2.87Å; Q26-W30 PolarHBondContact O-N 3.39Å
27M95.8Very high93.3Very high26 Ų2669.3 Ų69.313%0.12834%0.342CS..Hα-helixtrans-65.5-40.9177.1-162.958.861.100112.2F10 R13 L14 L17 G23 W30 C31 L63F10-M27 HydrophobicContact CD2-SD 4.43Å; F10-M27 HydrophobicContact CE2-SD 3.9Å; R13-M27 HydrophobicContact CB-CE 3.87Å; R13-M27 HydrophobicContact CB-SD 4.45Å; L14-M27 HydrophobicContact CD2-CG 4.06Å; L14-M27 HydrophobicContact CD2-SD 4.4Å; L17-M27 HydrophobicContact CD1-CB 3.94Å; L17-M27 HydrophobicContact CD1-CE 4.34Å; L17-M27 HydrophobicContact CD1-CG 4.29Å; L17-M27 HydrophobicContact CD2-CG 4.42Å; G23-M27 WeakPolarHBondContact O-CB 3.47Å; G23-M27 PolarHBondContact O-N 2.98Å; M27-W30 PolarHBondContact O-N 3.07Å; M27-C31 PolarHBondContact O-N 3.27Å; M27-C31 PolarHBondContact O-SG 3.05Å; M27-L63 HydrophobicContact CB-CD1 3.91Å; M27-L63 HydrophobicContact CB-CD2 4.41Å; M27-L63 HydrophobicContact CG-CD1 3.98Å; M27-L63 HydrophobicContact CG-CD2 3.69Å
28S95.6Very high93.1Very high0 Ų069.6 Ų69.60%034%0.343CS..Hα-helixtrans-60.2-48.1174.6179.80000111.7I24 Q25 W30 C31 L32 D66 V67I24-S28 VanDerWaalsContact O-CB 3.23Å; I24-S28 WeakPolarHBondContact O-CB 3.38Å; I24-S28 PolarHBondContact O-N 3.33Å; Q25-S28 PolarHBondContact O-N 3.21Å; S28-W30 VanDerWaalsContact C-N 3.33Å; S28-W30 PolarHBondContact O-N 2.92Å; S28-C31 WeakPolarHBondContact O-CB 3.42Å; S28-C31 PolarHBondContact O-N 2.81Å; S28-L32 WeakPolarHBondContact O-CB 3.43Å; S28-L32 WeakPolarHBondContact O-CD1 3.25Å; S28-L32 WeakPolarHBondContact O-CG 3.39Å; S28-L32 PolarHBondContact O-N 3.34Å; S28-D66 WeakPolarHBondContact CB-OD2 3.4Å; S28-D66 PolarHBondContact OG-OD2 3.36Å; S28-V67 WeakPolarHBondContact OG-CG2 3.27Å
29N94.4Very high93.1Very high75 Ų7569 Ų6940%0.40134%0.34SS..Hα-helixtrans-59.2-41.8175.9-77.4-50.9000112.1Q25 Q26 L32 Q33Q25-N29 WeakPolarHBondContact O-CB 3.34Å; Q25-N29 VanDerWaalsContact O-CG 3.32Å; Q25-N29 PolarHBondContact O-N 2.89Å; Q25-N29 PolarHBondContact O-ND2 2.84Å; Q26-N29 PolarHBondContact O-N 2.87Å; N29-L32 PolarHBondContact O-N 3.26Å; N29-Q33 VanDerWaalsContact O-CG 3.31Å; N29-Q33 WeakPolarHBondContact O-CG 3.41Å; N29-Q33 PolarHBondContact O-N 3.36Å
30W93.8Very high93Very high54 Ų5468.3 Ų68.321%0.20533%0.333CS..Hα-helixtrans-62-45.5175.6-17289.6000111.9F5 F10 Q26 M27 S28 L32 Q33 H34F5-W30 HydrophobicContact CD2-CH2 4.11Å; F5-W30 AromaticContact CE2-CH2 3.45Å; F5-W30 HydrophobicContact CE2-CH2 3.45Å; F5-W30 VanDerWaalsContact CE2-CH2 3.45Å; F5-W30 AromaticContact CE2-CZ3 3.71Å; F5-W30 HydrophobicContact CE2-CZ3 3.71Å; F5-W30 HydrophobicContact CZ-CH2 4.01Å; F5-W30 HydrophobicContact CZ-CZ3 4.14Å; F10-W30 HydrophobicContact CB-CH2 4.15Å; F10-W30 HydrophobicContact CB-CZ3 4.34Å; F10-W30 HydrophobicContact CD1-CZ3 4.41Å; F10-W30 AromaticContact CD2-CE3 3.73Å; F10-W30 HydrophobicContact CD2-CE3 3.73Å; F10-W30 AromaticContact CD2-CH2 3.77Å; F10-W30 HydrophobicContact CD2-CH2 3.77Å; F10-W30 AromaticContact CD2-CZ3 3.16Å; F10-W30 HydrophobicContact CD2-CZ3 3.16Å; F10-W30 AromaticContact CE2-CE3 3.66Å; F10-W30 HydrophobicContact CE2-CE3 3.66Å; F10-W30 HydrophobicContact CE2-CH2 4.45Å; F10-W30 AromaticContact CE2-CZ3 3.43Å; F10-W30 HydrophobicContact CE2-CZ3 3.43Å; F10-W30 VanDerWaalsContact CE2-CZ3 3.43Å; F10-W30 HydrophobicContact CG-CH2 4.03Å; F10-W30 AromaticContact CG-CZ3 3.72Å; F10-W30 HydrophobicContact CG-CZ3 3.72Å; F10-W30 HydrophobicContact CZ-CZ3 4.17Å; Q26-W30 PolarHBondContact O-N 3.39Å; M27-W30 PolarHBondContact O-N 3.07Å; S28-W30 VanDerWaalsContact C-N 3.33Å; S28-W30 PolarHBondContact O-N 2.92Å; W30-L32 VanDerWaalsContact C-N 3.29Å; W30-L32 PolarHBondContact O-N 3.09Å; W30-Q33 WeakPolarHBondContact O-CB 3.29Å; W30-Q33 PolarHBondContact O-N 3.43Å; W30-H34 AromaticContact CD1-CE1 3.72Å; W30-H34 AromaticContact CD1-ND1 3.93Å; W30-H34 AromaticContact CD2-CE1 3.93Å; W30-H34 AromaticContact CD2-ND1 3.56Å; W30-H34 AromaticContact CE2-CE1 3.35Å; W30-H34 AromaticContact CE2-ND1 3.41Å; W30-H34 AromaticContact CE2-NE2 4Å; W30-H34 AromaticContact CG-ND1 3.91Å; W30-H34 AromaticContact CZ2-CE1 3.73Å; W30-H34 AromaticContact CZ2-ND1 3.8Å; W30-H34 AromaticContact CZ2-NE2 3.92Å; W30-H34 AromaticContact NE1-CE1 3.2Å; W30-H34 PolarHBondContact NE1-CE1 3.19Å; W30-H34 AromaticContact NE1-ND1 3.65Å; W30-H34 PolarHBondContact O-N 3.25Å; W30-H34 VanDerWaalsContact O-N 3.08Å; W30-H34 PolarHBondContact O-ND1 3.02Å
31C93.6Very high93Very high1 Ų165.3 Ų65.31%0.00731%0.314CS..Hα-helixtrans-59-37.8174.1-69.80000112.8M27 S28 H34 R35 I41 V67 F78M27-C31 PolarHBondContact O-N 3.27Å; M27-C31 PolarHBondContact O-SG 3.05Å; S28-C31 WeakPolarHBondContact O-CB 3.42Å; S28-C31 PolarHBondContact O-N 2.81Å; C31-H34 CarbonylContact O-C 3.55Å; C31-H34 PolarHBondContact O-N 3.35Å; C31-R35 PolarHBondContact O-N 3.01Å; C31-I41 HydrophobicContact CB-CD1 4.46Å; C31-I41 HydrophobicContact CB-CG2 4.21Å; C31-V67 HydrophobicContact CB-CG2 3.93Å; C31-F78 WeakPolarHBondContact O-CZ 3.19Å
32L91.1Very high93.1Very high10 Ų1058.6 Ų58.65%0.05228%0.283CS..Hα-helixtrans-76.6-28.1-179-68.3162.5000113.3S28 N29 W30 V67 Y70 Y76 F78S28-L32 WeakPolarHBondContact O-CB 3.43Å; S28-L32 WeakPolarHBondContact O-CD1 3.25Å; S28-L32 WeakPolarHBondContact O-CG 3.39Å; S28-L32 PolarHBondContact O-N 3.34Å; N29-L32 PolarHBondContact O-N 3.26Å; W30-L32 VanDerWaalsContact C-N 3.29Å; W30-L32 PolarHBondContact O-N 3.09Å; L32-V67 HydrophobicContact CD2-CG1 4.37Å; L32-Y70 HydrophobicContact CD1-CD1 3.57Å; L32-Y70 HydrophobicContact CD1-CD2 4.19Å; L32-Y70 HydrophobicContact CD1-CE1 4.18Å; L32-Y70 HydrophobicContact CD1-CG 3.58Å; L32-Y70 HydrophobicContact CD2-CD1 3.94Å; L32-Y70 HydrophobicContact CD2-CG 4.43Å; L32-Y70 HydrophobicContact CG-CD1 4.33Å; L32-Y76 HydrophobicContact CD2-CD2 4.08Å; L32-Y76 HydrophobicContact CD2-CE2 4.26Å; L32-F78 HydrophobicContact CD2-CE2 4.44Å
33Q91.1Very high93.2Very high130 Ų13056.8 Ų56.861%0.60728%0.275SS*.Hα-helixtrans-64.4-50.2166.8-70.3163.63.800109.8N29 W30 R35N29-Q33 VanDerWaalsContact O-CG 3.31Å; N29-Q33 WeakPolarHBondContact O-CG 3.41Å; N29-Q33 PolarHBondContact O-N 3.36Å; W30-Q33 WeakPolarHBondContact O-CB 3.29Å; W30-Q33 PolarHBondContact O-N 3.43Å; Q33-R35 PolarHBondContact O-N 3.07Å
34H89.3Confident93.2Very high31 Ų3156 Ų5614%0.14427%0.266CS..THydrogen-bonded Turntrans-80.225.9-177.4-63.882000114.3F5 W30 C31 S36 N37 I41F5-H34 HydrophobicContact CD2-CB 4.47Å; F5-H34 HydrophobicContact CE2-CB 4.34Å; W30-H34 AromaticContact CD1-CE1 3.72Å; W30-H34 AromaticContact CD1-ND1 3.93Å; W30-H34 AromaticContact CD2-CE1 3.93Å; W30-H34 AromaticContact CD2-ND1 3.56Å; W30-H34 AromaticContact CE2-CE1 3.35Å; W30-H34 AromaticContact CE2-ND1 3.41Å; W30-H34 AromaticContact CE2-NE2 4Å; W30-H34 AromaticContact CG-ND1 3.91Å; W30-H34 AromaticContact CZ2-CE1 3.73Å; W30-H34 AromaticContact CZ2-ND1 3.8Å; W30-H34 AromaticContact CZ2-NE2 3.92Å; W30-H34 AromaticContact NE1-CE1 3.2Å; W30-H34 PolarHBondContact NE1-CE1 3.19Å; W30-H34 AromaticContact NE1-ND1 3.65Å; W30-H34 PolarHBondContact O-N 3.25Å; W30-H34 VanDerWaalsContact O-N 3.08Å; W30-H34 PolarHBondContact O-ND1 3.02Å; C31-H34 CarbonylContact O-C 3.55Å; C31-H34 PolarHBondContact O-N 3.35Å; H34-S36 PolarHBondContact O-N 3.43Å; H34-N37 WeakPolarHBondContact O-CA 3.49Å; H34-N37 WeakPolarHBondContact O-CB 3.32Å; H34-N37 PolarHBondContact O-N 3.28Å; H34-I41 HydrophobicContact CB-CD1 3.93Å; H34-I41 WeakPolarHBondContact O-CD1 3.21Å
35R88.4Confident93.2Very high117 Ų11755.4 Ų55.444%0.44226%0.263SS..G310 helixtrans-59.4-19.2-172.866.3176.7-178.7-81.8-4116C31 Q33 N37 H38 F78C31-R35 PolarHBondContact O-N 3.01Å; Q33-R35 PolarHBondContact O-N 3.07Å; R35-N37 PolarHBondContact O-N 3.38Å; R35-H38 WeakPolarHBondContact O-CB 3.29Å; R35-H38 PolarHBondContact O-N 3.17Å; R35-H38 PolarHBondContact O-ND1 3.25Å; R35-F78 HydrophobicContact CB-CD2 4.45Å; R35-F78 HydrophobicContact CB-CE2 3.68Å; R35-F78 HydrophobicContact CB-CZ 4.45Å
36S88.9Confident93.2Very high94 Ų9451.8 Ų51.866%0.65725%0.247SC*.G310 helixtrans-60.8-31.7169.4520000111.9H34 H38H34-S36 PolarHBondContact O-N 3.43Å; S36-H38 VanDerWaalsContact C-N 3.34Å
37N89.8Confident93.2Very high42 Ų4247.6 Ų47.623%0.22523%0.228CC..G310 helixtrans-97.319.9-175.6-52.9-37.8000111.8F5 H34 R35 K39 K40 I41F5-N37 HydrophobicContact CB-CB 4.3Å; F5-N37 HydrophobicContact CD2-CB 3.61Å; F5-N37 WeakPolarHBondContact CD2-ND2 3.28Å; F5-N37 HydrophobicContact CE2-CB 4.05Å; F5-N37 HydrophobicContact CG-CB 3.96Å; H34-N37 WeakPolarHBondContact O-CA 3.49Å; H34-N37 WeakPolarHBondContact O-CB 3.32Å; H34-N37 PolarHBondContact O-N 3.28Å; R35-N37 PolarHBondContact O-N 3.38Å; N37-K39 PolarHBondContact O-N 3.4Å; N37-K40 WeakPolarHBondContact O-CA 3.41Å; N37-K40 WeakPolarHBondContact O-CB 3.38Å; N37-K40 PolarHBondContact O-N 3.13Å; N37-I41 PolarHBondContact O-N 3.29Å
38H90.5Very high93.2Very high14 Ų1446.3 Ų46.37%0.06522%0.222CC..Hα-helixtrans-50.6-36.9-173.659-95.7000113.8R35 S36 I41 I42 E77 F78 C81R35-H38 WeakPolarHBondContact O-CB 3.29Å; R35-H38 PolarHBondContact O-N 3.17Å; R35-H38 PolarHBondContact O-ND1 3.25Å; S36-H38 VanDerWaalsContact C-N 3.34Å; H38-I41 PolarHBondContact O-N 2.97Å; H38-I42 WeakPolarHBondContact O-CB 3.49Å; H38-I42 WeakPolarHBondContact O-CD1 3.29Å; H38-I42 VanDerWaalsContact O-CG1 3.23Å; H38-I42 WeakPolarHBondContact O-CG1 3.35Å; H38-I42 PolarHBondContact O-N 3.08Å; H38-E77 IonicContact CE1-OE2 3.79Å; H38-E77 PolarHBondContact CE1-OE2 3.36Å; H38-F78 HydrophobicContact CB-CD1 3.63Å; H38-F78 HydrophobicContact CB-CD2 4.3Å; H38-F78 HydrophobicContact CB-CE1 3.42Å; H38-F78 VanDerWaalsContact CB-CE1 3.42Å; H38-F78 HydrophobicContact CB-CE2 4.12Å; H38-F78 HydrophobicContact CB-CG 4.07Å; H38-F78 HydrophobicContact CB-CZ 3.69Å; H38-C81 VanDerWaalsContact CD2-SG 3.54Å
39K92.6Very high93.2Very high145 Ų14546.3 Ų46.363%0.6322%0.222SC*.Hα-helixtrans-66.3-42.6177.2-55.2-172.6-178.3174.70112.2N37 Q43N37-K39 PolarHBondContact O-N 3.4Å; K39-Q43 WeakPolarHBondContact O-CB 3.25Å; K39-Q43 PolarHBondContact O-N 3.39Å
40K93.3Very high93.2Very high82 Ų8247.6 Ų47.636%0.35722%0.224SC..Hα-helixtrans-64.3-45.5173.3-67.7-167.4169.9-145.80111.3F5 E7 N37 I42 Q43 C44F5-K40 HydrophobicContact CB-CD 4.17Å; F5-K40 HydrophobicContact CD1-CB 3.84Å; F5-K40 HydrophobicContact CD1-CD 3.56Å; F5-K40 HydrophobicContact CD1-CG 4.37Å; F5-K40 HydrophobicContact CE1-CB 3.7Å; F5-K40 HydrophobicContact CE1-CD 4.28Å; F5-K40 HydrophobicContact CG-CD 4.09Å; F5-K40 HydrophobicContact CZ-CB 4.34Å; E7-K40 HydrophobicContact CG-CD 4.11Å; E7-K40 VanDerWaalsContact OE1-CD 3.32Å; E7-K40 WeakPolarHBondContact OE1-CD 3.35Å; E7-K40 WeakPolarHBondContact OE1-CE 3.42Å; E7-K40 IonicContact OE1-NZ 3.16Å; E7-K40 PolarHBondContact OE1-NZ 3.43Å; N37-K40 WeakPolarHBondContact O-CA 3.41Å; N37-K40 WeakPolarHBondContact O-CB 3.38Å; N37-K40 PolarHBondContact O-N 3.13Å; K40-I42 VanDerWaalsContact C-N 3.33Å; K40-I42 PolarHBondContact O-N 3.48Å; K40-Q43 WeakPolarHBondContact O-CB 3.47Å; K40-Q43 PolarHBondContact O-N 3.25Å; K40-Q43 VanDerWaalsContact O-N 3.12Å; K40-C44 WeakPolarHBondContact O-CB 3.13Å; K40-C44 PolarHBondContact O-N 2.89Å; K40-C44 PolarHBondContact O-SG 2.99Å
41I94.8Very high93.1Very high2 Ų251.3 Ų51.31%0.0124%0.238CC..Hα-helixtrans-55.9-47.3177.7-68166.2000111F5 F10 C31 H34 N37 H38 W45 F78F5-I41 HydrophobicContact CE2-CD1 4.1Å; F5-I41 HydrophobicContact CE2-CG1 3.53Å; F5-I41 HydrophobicContact CZ-CG1 3.52Å; F10-I41 HydrophobicContact CE1-CB 4.27Å; F10-I41 HydrophobicContact CE1-CG1 4.38Å; F10-I41 HydrophobicContact CE1-CG2 3.98Å; F10-I41 HydrophobicContact CZ-CG2 3.97Å; C31-I41 HydrophobicContact CB-CD1 4.46Å; C31-I41 HydrophobicContact CB-CG2 4.21Å; H34-I41 HydrophobicContact CB-CD1 3.93Å; H34-I41 WeakPolarHBondContact O-CD1 3.21Å; N37-I41 PolarHBondContact O-N 3.29Å; H38-I41 PolarHBondContact O-N 2.97Å; I41-W45 VanDerWaalsContact O-CB 3.25Å; I41-W45 WeakPolarHBondContact O-CB 3.17Å; I41-W45 PolarHBondContact O-N 3.18Å; I41-F78 HydrophobicContact CB-CE1 4.39Å; I41-F78 HydrophobicContact CD1-CE1 4.38Å; I41-F78 HydrophobicContact CD1-CZ 3.98Å; I41-F78 HydrophobicContact CG2-CE1 4.15Å
42I95.6Very high93Very high11 Ų1152.2 Ų52.26%0.05624%0.243CC..Hα-helixtrans-67.9-36.2178.4-66.8162.7000111.6H38 K40 L46 F78 C81 W82 A85H38-I42 WeakPolarHBondContact O-CB 3.49Å; H38-I42 WeakPolarHBondContact O-CD1 3.29Å; H38-I42 VanDerWaalsContact O-CG1 3.23Å; H38-I42 WeakPolarHBondContact O-CG1 3.35Å; H38-I42 PolarHBondContact O-N 3.08Å; K40-I42 VanDerWaalsContact C-N 3.33Å; K40-I42 PolarHBondContact O-N 3.48Å; I42-L46 VanDerWaalsContact O-CB 3.31Å; I42-L46 WeakPolarHBondContact O-CB 3.38Å; I42-L46 PolarHBondContact O-N 2.67Å; I42-F78 HydrophobicContact CD1-CD1 4.11Å; I42-F78 HydrophobicContact CG1-CD1 4.43Å; I42-C81 HydrophobicContact CD1-CB 3.43Å; I42-C81 VanDerWaalsContact CD1-CB 3.43Å; I42-W82 HydrophobicContact CD1-CD2 4.24Å; I42-W82 HydrophobicContact CD1-CG 3.94Å; I42-W82 HydrophobicContact CG1-CD2 3.88Å; I42-W82 HydrophobicContact CG1-CE3 4.46Å; I42-W82 HydrophobicContact CG1-CG 4.13Å; I42-W82 HydrophobicContact CG1-CZ2 4.15Å; I42-A85 HydrophobicContact CG2-CB 3.49Å; I42-A85 VanDerWaalsContact CG2-CB 3.49Å
43Q94.8Very high93.1Very high107 Ų10760 Ų6050%0.527%0.272SS..Hα-helixtrans-65.6-51.1176178.3172.9-50.400111.9K39 K40 W45 L46 N47K39-Q43 WeakPolarHBondContact O-CB 3.25Å; K39-Q43 PolarHBondContact O-N 3.39Å; K40-Q43 WeakPolarHBondContact O-CB 3.47Å; K40-Q43 PolarHBondContact O-N 3.25Å; K40-Q43 VanDerWaalsContact O-N 3.12Å; Q43-W45 VanDerWaalsContact C-N 3.33Å; Q43-W45 PolarHBondContact O-N 3.24Å; Q43-L46 PolarHBondContact O-N 3.19Å; Q43-N47 VanDerWaalsContact O-CG 3.25Å; Q43-N47 PolarHBondContact O-N 2.88Å
44C95.7Very high93.1Very high0 Ų055.5 Ų55.50%025%0.253CS..Hα-helixtrans-59.9-44.2176.6-62.20000111F10 E11 K40 L46 N47 V48F10-C44 HydrophobicContact CD1-CB 3.54Å; F10-C44 HydrophobicContact CE1-CB 3.85Å; E11-C44 HydrophobicContact CG-CB 3.67Å; E11-C44 WeakPolarHBondContact OE1-CA 3.44Å; K40-C44 WeakPolarHBondContact O-CB 3.13Å; K40-C44 PolarHBondContact O-N 2.89Å; K40-C44 PolarHBondContact O-SG 2.99Å; C44-L46 PolarHBondContact O-N 3.27Å; C44-N47 WeakPolarHBondContact O-CB 3.28Å; C44-N47 PolarHBondContact O-N 3.24Å; C44-V48 WeakPolarHBondContact O-CG2 3.5Å; C44-V48 PolarHBondContact O-N 3.35Å
45W97.4Very high93.3Very high3 Ų357.8 Ų57.81%0.01127%0.266CS..Hα-helixtrans-56.2-49.6173.1179.594.8000111.7L14 I41 Q43 N47 V48 F49 L60 A64 W82 A85 A89L14-W45 HydrophobicContact CD1-CB 4.16Å; I41-W45 VanDerWaalsContact O-CB 3.25Å; I41-W45 WeakPolarHBondContact O-CB 3.17Å; I41-W45 PolarHBondContact O-N 3.18Å; Q43-W45 VanDerWaalsContact C-N 3.33Å; Q43-W45 PolarHBondContact O-N 3.24Å; W45-N47 VanDerWaalsContact C-N 3.29Å; W45-N47 PolarHBondContact O-N 3.24Å; W45-V48 PolarHBondContact O-N 3.17Å; W45-F49 HydrophobicContact CD2-CD2 4.45Å; W45-F49 AromaticContact CE2-CD2 3.89Å; W45-F49 AromaticContact CH2-CD2 3.53Å; W45-F49 HydrophobicContact CH2-CD2 3.53Å; W45-F49 AromaticContact CH2-CE2 3.69Å; W45-F49 HydrophobicContact CH2-CE2 3.69Å; W45-F49 HydrophobicContact CH2-CG 4.12Å; W45-F49 HydrophobicContact CH2-CZ 4.4Å; W45-F49 AromaticContact CZ2-CD2 3.41Å; W45-F49 HydrophobicContact CZ2-CD2 3.41Å; W45-F49 VanDerWaalsContact CZ2-CD2 3.41Å; W45-F49 AromaticContact CZ2-CE2 3.58Å; W45-F49 HydrophobicContact CZ2-CE2 3.58Å; W45-F49 HydrophobicContact CZ2-CG 4.37Å; W45-F49 HydrophobicContact CZ3-CD2 4.11Å; W45-F49 HydrophobicContact CZ3-CG 4.32Å; W45-F49 VanDerWaalsContact O-CB 3.22Å; W45-F49 WeakPolarHBondContact O-CB 3.43Å; W45-F49 PolarHBondContact O-N 2.99Å; W45-L60 HydrophobicContact CZ2-CB 4.33Å; W45-L60 PolarHBondContact NE1-O 2.73Å; W45-A64 HydrophobicContact CZ2-CB 3.8Å; W45-W82 HydrophobicContact CB-CH2 4.23Å; W45-W82 AromaticContact CD1-CH2 3.78Å; W45-W82 AromaticContact CD2-CH2 3.53Å; W45-W82 HydrophobicContact CD2-CH2 3.53Å; W45-W82 AromaticContact CD2-CZ3 3.43Å; W45-W82 HydrophobicContact CD2-CZ3 3.43Å; W45-W82 VanDerWaalsContact CD2-CZ3 3.43Å; W45-W82 AromaticContact CE2-CH2 3.71Å; W45-W82 AromaticContact CE2-CZ3 3.61Å; W45-W82 HydrophobicContact CE3-CE3 4.45Å; W45-W82 HydrophobicContact CE3-CH2 4.04Å; W45-W82 AromaticContact CE3-CZ3 3.47Å; W45-W82 HydrophobicContact CE3-CZ3 3.47Å; W45-W82 VanDerWaalsContact CE3-CZ3 3.47Å; W45-W82 AromaticContact CG-CH2 3.6Å; W45-W82 HydrophobicContact CG-CH2 3.6Å; W45-W82 HydrophobicContact CG-CZ3 4.01Å; W45-W82 AromaticContact CH2-CZ3 3.93Å; W45-W82 HydrophobicContact CH2-CZ3 3.93Å; W45-W82 HydrophobicContact CZ2-CH2 4.36Å; W45-W82 AromaticContact CZ2-CZ3 3.87Å; W45-W82 HydrophobicContact CZ2-CZ3 3.87Å; W45-W82 HydrophobicContact CZ3-CE3 4.5Å; W45-W82 AromaticContact CZ3-CZ3 3.74Å; W45-W82 HydrophobicContact CZ3-CZ3 3.74Å; W45-W82 AromaticContact NE1-CH2 3.8Å; W45-A85 HydrophobicContact CZ3-CB 4.44Å; W45-A89 HydrophobicContact CH2-CB 3.58Å; W45-A89 HydrophobicContact CZ3-CB 3.79Å
46L95.5Very high93.6Very high12 Ų1253.3 Ų53.36%0.06325%0.25CS..Hα-helixtrans-69.9-25.2-179.2-175.563000112.8I42 Q43 C44 K50 A85 R88 A89I42-L46 VanDerWaalsContact O-CB 3.31Å; I42-L46 WeakPolarHBondContact O-CB 3.38Å; I42-L46 PolarHBondContact O-N 2.67Å; Q43-L46 PolarHBondContact O-N 3.19Å; C44-L46 PolarHBondContact O-N 3.27Å; L46-K50 WeakPolarHBondContact O-CD 3.4Å; L46-K50 VanDerWaalsContact O-CE 3.31Å; L46-K50 WeakPolarHBondContact O-CE 3.34Å; L46-K50 VanDerWaalsContact O-CG 3.28Å; L46-K50 WeakPolarHBondContact O-CG 3.5Å; L46-K50 PolarHBondContact O-N 3.39Å; L46-A85 HydrophobicContact CD2-CB 4.14Å; L46-R88 HydrophobicContact CD1-CB 4.2Å; L46-A89 HydrophobicContact CD1-CB 4.45Å
47N95.4Very high93.9Very high43 Ų4350.7 Ų50.723%0.2323%0.226CC..Hα-helixtrans-69.6-53.5172.2-74.3-14.4000111.1E11 Q43 C44 W45 F49 K50E11-N47 WeakPolarHBondContact OE1-CB 3.43Å; E11-N47 PolarHBondContact OE1-ND2 2.96Å; Q43-N47 VanDerWaalsContact O-CG 3.25Å; Q43-N47 PolarHBondContact O-N 2.88Å; C44-N47 WeakPolarHBondContact O-CB 3.28Å; C44-N47 PolarHBondContact O-N 3.24Å; W45-N47 VanDerWaalsContact C-N 3.29Å; W45-N47 PolarHBondContact O-N 3.24Å; N47-F49 VanDerWaalsContact C-N 3.29Å; N47-F49 PolarHBondContact O-N 3.48Å; N47-K50 PolarHBondContact O-N 2.87Å; N47-K50 PolarHBondContact OD1-NZ 3.36Å
48V95.4Very high94.2Very high0 Ų048.9 Ų48.90%022%0.217CC..Hα-helixtrans-59.2-42.8176.4176.80000110.5E11 L14 E15 C44 W45 K50 R51 V52 L60E11-V48 HydrophobicContact CB-CG2 3.65Å; E11-V48 HydrophobicContact CG-CG2 3.72Å; L14-V48 HydrophobicContact CB-CB 4.31Å; L14-V48 HydrophobicContact CB-CG1 4.04Å; L14-V48 HydrophobicContact CB-CG2 4.12Å; L14-V48 HydrophobicContact CD1-CG2 4.34Å; E15-V48 HydrophobicContact CG-CG1 3.57Å; E15-V48 HydrophobicContact CG-CG2 4.21Å; C44-V48 WeakPolarHBondContact O-CG2 3.5Å; C44-V48 PolarHBondContact O-N 3.35Å; W45-V48 PolarHBondContact O-N 3.17Å; V48-K50 PolarHBondContact O-N 2.95Å; V48-K50 VanDerWaalsContact O-N 3.11Å; V48-R51 WeakPolarHBondContact O-CG 3.17Å; V48-R51 PolarHBondContact O-N 3.31Å; V48-R51 VanDerWaalsContact O-N 3.1Å; V48-V52 HydrophobicContact CG1-CG1 3.68Å; V48-V52 WeakPolarHBondContact O-CG1 3.38Å; V48-V52 WeakPolarHBondContact O-CG2 3.44Å; V48-V52 PolarHBondContact O-N 3.29Å; V48-L60 HydrophobicContact CG1-CD1 3.99Å
49F96Very high94.5Very high0 Ų048.5 Ų48.50%022%0.215CC..Hα-helixtrans-54.2-34178.4-158.3-85.4000114W45 N47 R57 L60 F61 A89 M92 V93W45-F49 HydrophobicContact CD2-CD2 4.45Å; W45-F49 AromaticContact CE2-CD2 3.89Å; W45-F49 AromaticContact CH2-CD2 3.53Å; W45-F49 HydrophobicContact CH2-CD2 3.53Å; W45-F49 AromaticContact CH2-CE2 3.69Å; W45-F49 HydrophobicContact CH2-CE2 3.69Å; W45-F49 HydrophobicContact CH2-CG 4.12Å; W45-F49 HydrophobicContact CH2-CZ 4.4Å; W45-F49 AromaticContact CZ2-CD2 3.41Å; W45-F49 HydrophobicContact CZ2-CD2 3.41Å; W45-F49 VanDerWaalsContact CZ2-CD2 3.41Å; W45-F49 AromaticContact CZ2-CE2 3.58Å; W45-F49 HydrophobicContact CZ2-CE2 3.58Å; W45-F49 HydrophobicContact CZ2-CG 4.37Å; W45-F49 HydrophobicContact CZ3-CD2 4.11Å; W45-F49 HydrophobicContact CZ3-CG 4.32Å; W45-F49 VanDerWaalsContact O-CB 3.22Å; W45-F49 WeakPolarHBondContact O-CB 3.43Å; W45-F49 PolarHBondContact O-N 2.99Å; N47-F49 VanDerWaalsContact C-N 3.29Å; N47-F49 PolarHBondContact O-N 3.48Å; F49-R57 HydrophobicContact CD1-CG 4.12Å; F49-R57 HydrophobicContact CD2-CB 4.46Å; F49-R57 HydrophobicContact CD2-CG 4.43Å; F49-R57 HydrophobicContact CE1-CB 4.04Å; F49-R57 HydrophobicContact CE1-CG 3.85Å; F49-R57 HydrophobicContact CE2-CB 3.81Å; F49-R57 HydrophobicContact CE2-CG 4.2Å; F49-R57 VanDerWaalsContact CE2-O 3.25Å; F49-R57 WeakPolarHBondContact CE2-O 3.46Å; F49-R57 HydrophobicContact CG-CG 4.39Å; F49-R57 HydrophobicContact CZ-CB 3.56Å; F49-R57 HydrophobicContact CZ-CG 3.89Å; F49-R57 PolarHBondContact O-NE 3.31Å; F49-L60 HydrophobicContact CB-CD1 4.27Å; F49-L60 HydrophobicContact CD2-CB 3.77Å; F49-L60 HydrophobicContact CD2-CD1 3.88Å; F49-L60 HydrophobicContact CE2-CB 4.04Å; F49-L60 HydrophobicContact CG-CD1 4.47Å; F49-F61 HydrophobicContact CE1-CE2 4.42Å; F49-F61 AromaticContact CE2-CD2 3.58Å; F49-F61 HydrophobicContact CE2-CD2 3.58Å; F49-F61 AromaticContact CE2-CE2 3.93Å; F49-F61 HydrophobicContact CE2-CE2 3.93Å; F49-F61 HydrophobicContact CE2-CG 4.48Å; F49-F61 AromaticContact CZ-CD2 3.47Å; F49-F61 HydrophobicContact CZ-CD2 3.47Å; F49-F61 VanDerWaalsContact CZ-CD2 3.47Å; F49-F61 AromaticContact CZ-CE2 3.46Å; F49-F61 HydrophobicContact CZ-CE2 3.46Å; F49-F61 VanDerWaalsContact CZ-CE2 3.46Å; F49-A89 HydrophobicContact CD1-CB 3.88Å; F49-A89 HydrophobicContact CE1-CB 3.59Å; F49-A89 HydrophobicContact CE2-CB 4.37Å; F49-A89 HydrophobicContact CG-CB 4.39Å; F49-A89 HydrophobicContact CZ-CB 3.87Å; F49-M92 HydrophobicContact CD1-SD 4.39Å; F49-M92 HydrophobicContact CE1-CB 4.13Å; F49-V93 HydrophobicContact CE1-CG1 4.1Å; F49-V93 HydrophobicContact CZ-CG1 3.68Å
50K93.6Very high94.7Very high101 Ų10141.6 Ų41.644%0.43919%0.185SC..Hα-helixtrans-71.4-45.4178.1-66.1156-169.3160.10112.2L46 N47 V48 R57 M92L46-K50 WeakPolarHBondContact O-CD 3.4Å; L46-K50 VanDerWaalsContact O-CE 3.31Å; L46-K50 WeakPolarHBondContact O-CE 3.34Å; L46-K50 VanDerWaalsContact O-CG 3.28Å; L46-K50 WeakPolarHBondContact O-CG 3.5Å; L46-K50 PolarHBondContact O-N 3.39Å; N47-K50 PolarHBondContact O-N 2.87Å; N47-K50 PolarHBondContact OD1-NZ 3.36Å; V48-K50 PolarHBondContact O-N 2.95Å; V48-K50 VanDerWaalsContact O-N 3.11Å; K50-R57 PolarHBondContact O-NH2 3.46Å; K50-M92 HydrophobicContact CB-CE 4.25Å; K50-M92 HydrophobicContact CG-CE 4.25Å; K50-M92 HydrophobicContact CG-SD 4.23Å
51R91.5Very high94.9Very high133 Ų13337.7 Ų37.750%0.50217%0.168SC..Hα-helixtrans-78.3-28.9-173.558.4176.279.7136.54.5113.4E11 E15 V48E11-R51 IonicContact OE1-NH2 2.75Å; E11-R51 IonicContact OE2-CZ 2.58Å; E11-R51 IonicContact OE2-NH1 3.17Å; E11-R51 PolarHBondContact OE2-NH1 3.23Å; E11-R51 IonicContact OE2-NH2 3.11Å; E11-R51 PolarHBondContact OE2-NH2 3.32Å; E15-R51 WeakPolarHBondContact OE1-CD 3.34Å; E15-R51 IonicContact OE1-CZ 2.64Å; E15-R51 IonicContact OE1-NE 2.66Å; E15-R51 IonicContact OE1-NH1 3.62Å; E15-R51 PolarHBondContact OE1-NH1 3.25Å; V48-R51 WeakPolarHBondContact O-CG 3.17Å; V48-R51 PolarHBondContact O-N 3.31Å; V48-R51 VanDerWaalsContact O-N 3.1Å
52V93.1Very high95.1Very high19 Ų1940.8 Ų40.812%0.11518%0.18CC..SBendtrans-80.5156.9-178.8-57.90000114E15 V48 H56 R57 L60E15-V52 HydrophobicContact CG-CG1 4.32Å; V48-V52 HydrophobicContact CG1-CG1 3.68Å; V48-V52 WeakPolarHBondContact O-CG1 3.38Å; V48-V52 WeakPolarHBondContact O-CG2 3.44Å; V48-V52 PolarHBondContact O-N 3.29Å; V52-H56 HydrophobicContact CB-CB 3.94Å; V52-H56 HydrophobicContact CG2-CB 3.95Å; V52-R57 HydrophobicContact CG2-CG 3.88Å; V52-R57 VanDerWaalsContact O-CZ 3.32Å; V52-R57 PolarHBondContact O-NE 3.4Å; V52-R57 PolarHBondContact O-NH2 2.89Å; V52-L60 HydrophobicContact CG2-CD1 3.77Å
53R93Very high95.2Very high175 Ų17540.4 Ų40.466%0.6618%0.178SC*.  trans-70.4161.217657-177147.194.92.3113.7D55 H56 R57R53-D55 VanDerWaalsContact C-N 3.32Å; R53-D55 PolarHBondContact O-N 3.35Å; R53-H56 HydrophobicContact CG-CB 4.41Å; R53-H56 WeakPolarHBondContact O-CB 3.4Å; R53-H56 PolarHBondContact O-N 2.91Å; R53-R57 PolarHBondContact O-N 3.32Å
54V91.3Very high95.2Very high34 Ų3435.3 Ų35.321%0.20615%0.154CC..Hα-helixtrans-53.5-42.3-172.1178.20000113.1H56 R57 L58 D95 V98V54-H56 VanDerWaalsContact C-N 3.29Å; V54-H56 PolarHBondContact O-N 3.02Å; V54-R57 WeakPolarHBondContact O-CB 3.14Å; V54-R57 PolarHBondContact O-N 2.95Å; V54-L58 PolarHBondContact O-N 3.33Å; V54-D95 HydrophobicContact CG1-CB 3.9Å; V54-V98 HydrophobicContact CG1-CB 4.45Å; V54-V98 HydrophobicContact CG1-CG1 3.83Å; V54-V98 HydrophobicContact CG1-CG2 3.7Å
55D92.6Very high95.3Very high80 Ų8036.3 Ų36.343%0.42816%0.16SC..Hα-helixtrans-65.2-34.6-179.9-39.9-74000111.9R53 L58R53-D55 VanDerWaalsContact C-N 3.32Å; R53-D55 PolarHBondContact O-N 3.35Å; D55-L58 WeakPolarHBondContact O-CB 3.32Å; D55-L58 PolarHBondContact O-N 3.48Å
56H95.4Very high95.2Very high22 Ų2238.3 Ų38.310%0.10217%0.171CC..Hα-helixtrans-78.1-30.6177.6-154.692.1000112.2L14 E15 L17 V52 R53 V54 L58 V59 L60L14-H56 PolarHBondContact O-NE2 3.11Å; E15-H56 PolarHBondContact O-CE1 3.19Å; E15-H56 PolarHBondContact O-NE2 3.42Å; L17-H56 PolarHBondContact O-CE1 3.12Å; V52-H56 HydrophobicContact CB-CB 3.94Å; V52-H56 HydrophobicContact CG2-CB 3.95Å; R53-H56 HydrophobicContact CG-CB 4.41Å; R53-H56 WeakPolarHBondContact O-CB 3.4Å; R53-H56 PolarHBondContact O-N 2.91Å; V54-H56 VanDerWaalsContact C-N 3.29Å; V54-H56 PolarHBondContact O-N 3.02Å; H56-L58 PolarHBondContact O-N 3.13Å; H56-V59 WeakPolarHBondContact O-CB 3.48Å; H56-V59 PolarHBondContact O-N 3.14Å; H56-V59 VanDerWaalsContact O-N 3.11Å; H56-L60 WeakPolarHBondContact O-CG 3.44Å; H56-L60 PolarHBondContact O-N 3.04Å
57R95.6Very high95.2Very high40 Ų4037.8 Ų37.815%0.15117%0.168CC..Hα-helixtrans-58.6-33.9170.8-68.6-178.7-172.1153.211.3111.7F49 K50 V52 R53 V54 F61 M92 V93F49-R57 HydrophobicContact CD1-CG 4.12Å; F49-R57 HydrophobicContact CD2-CB 4.46Å; F49-R57 HydrophobicContact CD2-CG 4.43Å; F49-R57 HydrophobicContact CE1-CB 4.04Å; F49-R57 HydrophobicContact CE1-CG 3.85Å; F49-R57 HydrophobicContact CE2-CB 3.81Å; F49-R57 HydrophobicContact CE2-CG 4.2Å; F49-R57 VanDerWaalsContact CE2-O 3.25Å; F49-R57 WeakPolarHBondContact CE2-O 3.46Å; F49-R57 HydrophobicContact CG-CG 4.39Å; F49-R57 HydrophobicContact CZ-CB 3.56Å; F49-R57 HydrophobicContact CZ-CG 3.89Å; F49-R57 PolarHBondContact O-NE 3.31Å; K50-R57 PolarHBondContact O-NH2 3.46Å; V52-R57 HydrophobicContact CG2-CG 3.88Å; V52-R57 VanDerWaalsContact O-CZ 3.32Å; V52-R57 PolarHBondContact O-NE 3.4Å; V52-R57 PolarHBondContact O-NH2 2.89Å; R53-R57 PolarHBondContact O-N 3.32Å; V54-R57 WeakPolarHBondContact O-CB 3.14Å; V54-R57 PolarHBondContact O-N 2.95Å; R57-F61 WeakPolarHBondContact O-CB 3.37Å; R57-F61 PolarHBondContact O-N 2.99Å; R57-M92 WeakPolarHBondContact CD-O 3.5Å; R57-M92 PolarHBondContact NH1-O 3.46Å; R57-V93 HydrophobicContact CB-CG1 3.72Å
58L95.8Very high95.1Very high4 Ų435.8 Ų35.82%0.02116%0.157CC..Hα-helixtrans-64.1-46.7172.4176.470.2000112V54 D55 H56 L60 F61 Y62 V98 K101 I102V54-L58 PolarHBondContact O-N 3.33Å; D55-L58 WeakPolarHBondContact O-CB 3.32Å; D55-L58 PolarHBondContact O-N 3.48Å; H56-L58 PolarHBondContact O-N 3.13Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 2.92Å; L58-F61 CarbonylContact O-C 3.55Å; L58-F61 WeakPolarHBondContact O-CA 3.31Å; L58-F61 WeakPolarHBondContact O-CB 3.42Å; L58-F61 PolarHBondContact O-N 3.3Å; L58-Y62 HydrophobicContact CD1-CE1 3.9Å; L58-Y62 HydrophobicContact CD1-CE2 4.16Å; L58-Y62 HydrophobicContact CD2-CE2 4Å; L58-Y62 HydrophobicContact CG-CD2 4.33Å; L58-Y62 HydrophobicContact CG-CE1 4.37Å; L58-Y62 HydrophobicContact CG-CE2 3.73Å; L58-Y62 PolarHBondContact O-N 2.93Å; L58-V98 HydrophobicContact CB-CB 4.47Å; L58-V98 HydrophobicContact CB-CG1 3.97Å; L58-V98 HydrophobicContact CD1-CB 4.47Å; L58-V98 HydrophobicContact CD2-CG1 4.26Å; L58-K101 HydrophobicContact CD1-CB 3.64Å; L58-K101 HydrophobicContact CD1-CD 3.88Å; L58-K101 HydrophobicContact CD1-CG 4.44Å; L58-K101 HydrophobicContact CD2-CD 3.41Å; L58-K101 VanDerWaalsContact CD2-CD 3.41Å; L58-K101 HydrophobicContact CG-CD 4.29Å; L58-I102 HydrophobicContact CD1-CD1 3.98Å
59V96.8Very high95Very high6 Ų636.9 Ų36.94%0.03616%0.162CC..Hα-helixtrans-59.9-43.3177.2-172.20000111L17 D19 I24 H56 F61 Y62 L63L17-V59 HydrophobicContact CD2-CG1 4.02Å; L17-V59 HydrophobicContact CG-CG1 3.93Å; D19-V59 HydrophobicContact CB-CG2 3.6Å; I24-V59 HydrophobicContact CD1-CG1 4.22Å; I24-V59 HydrophobicContact CG1-CG1 4.17Å; H56-V59 WeakPolarHBondContact O-CB 3.48Å; H56-V59 PolarHBondContact O-N 3.14Å; H56-V59 VanDerWaalsContact O-N 3.11Å; V59-F61 VanDerWaalsContact C-N 3.3Å; V59-F61 PolarHBondContact O-N 3.24Å; V59-Y62 WeakPolarHBondContact O-CB 3.41Å; V59-Y62 PolarHBondContact O-N 2.86Å; V59-Y62 VanDerWaalsContact O-N 3.14Å; V59-L63 PolarHBondContact O-N 3.36Å
60L97.3Very high94.8Very high0 Ų040.2 Ų40.20%018%0.175CC..Hα-helixtrans-64-33.3174.1-68.4177000112.5L14 L17 W45 V48 F49 V52 H56 L58 A64L14-L60 HydrophobicContact CB-CD2 4.18Å; L14-L60 HydrophobicContact CD2-CD2 4.12Å; L17-L60 HydrophobicContact CD2-CD2 4.39Å; W45-L60 HydrophobicContact CZ2-CB 4.33Å; W45-L60 PolarHBondContact NE1-O 2.73Å; V48-L60 HydrophobicContact CG1-CD1 3.99Å; F49-L60 HydrophobicContact CB-CD1 4.27Å; F49-L60 HydrophobicContact CD2-CB 3.77Å; F49-L60 HydrophobicContact CD2-CD1 3.88Å; F49-L60 HydrophobicContact CE2-CB 4.04Å; F49-L60 HydrophobicContact CG-CD1 4.47Å; V52-L60 HydrophobicContact CG2-CD1 3.77Å; H56-L60 WeakPolarHBondContact O-CG 3.44Å; H56-L60 PolarHBondContact O-N 3.04Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 2.92Å; L60-A64 WeakPolarHBondContact O-CB 3.45Å; L60-A64 PolarHBondContact O-N 3.13Å
61F97Very high94.7Very high0 Ų035.4 Ų35.40%016%0.155CC..Hα-helixtrans-69.3-34.7171.1-109.4-72.5000112.7F49 R57 L58 V59 A64 N65 L86 A89 V93 I102 I105 F106 W109F49-F61 HydrophobicContact CE1-CE2 4.42Å; F49-F61 AromaticContact CE2-CD2 3.58Å; F49-F61 HydrophobicContact CE2-CD2 3.58Å; F49-F61 AromaticContact CE2-CE2 3.93Å; F49-F61 HydrophobicContact CE2-CE2 3.93Å; F49-F61 HydrophobicContact CE2-CG 4.48Å; F49-F61 AromaticContact CZ-CD2 3.47Å; F49-F61 HydrophobicContact CZ-CD2 3.47Å; F49-F61 VanDerWaalsContact CZ-CD2 3.47Å; F49-F61 AromaticContact CZ-CE2 3.46Å; F49-F61 HydrophobicContact CZ-CE2 3.46Å; F49-F61 VanDerWaalsContact CZ-CE2 3.46Å; R57-F61 WeakPolarHBondContact O-CB 3.37Å; R57-F61 PolarHBondContact O-N 2.99Å; L58-F61 CarbonylContact O-C 3.55Å; L58-F61 WeakPolarHBondContact O-CA 3.31Å; L58-F61 WeakPolarHBondContact O-CB 3.42Å; L58-F61 PolarHBondContact O-N 3.3Å; V59-F61 VanDerWaalsContact C-N 3.3Å; V59-F61 PolarHBondContact O-N 3.24Å; F61-A64 PolarHBondContact O-N 3.48Å; F61-N65 WeakPolarHBondContact O-CB 3.23Å; F61-N65 PolarHBondContact O-N 3.44Å; F61-L86 HydrophobicContact CE1-CD2 3.87Å; F61-L86 HydrophobicContact CZ-CD2 4.35Å; F61-A89 HydrophobicContact CE2-CB 4.12Å; F61-A89 HydrophobicContact CZ-CB 4.25Å; F61-V93 HydrophobicContact CD2-CG1 4.2Å; F61-V93 HydrophobicContact CD2-CG2 4.29Å; F61-V93 HydrophobicContact CE2-CG1 4.14Å; F61-V93 HydrophobicContact CE2-CG2 3.62Å; F61-V93 HydrophobicContact CZ-CG2 4.31Å; F61-I102 HydrophobicContact CB-CD1 3.7Å; F61-I102 HydrophobicContact CD1-CD1 4.1Å; F61-I102 HydrophobicContact CD2-CD1 3.62Å; F61-I102 HydrophobicContact CE1-CG2 4.45Å; F61-I102 HydrophobicContact CE2-CD1 4.24Å; F61-I102 HydrophobicContact CG-CD1 3.54Å; F61-I102 HydrophobicContact CZ-CG2 4.41Å; F61-I105 HydrophobicContact CB-CD1 4.12Å; F61-I105 HydrophobicContact CD1-CD1 4.41Å; F61-F106 HydrophobicContact CE1-CE1 4.13Å; F61-W109 HydrophobicContact CE1-CH2 4.19Å
62Y97.4Very high94.6Very high66 Ų6632.2 Ų32.226%0.25914%0.144SC..Hα-helixtrans-65.3-41.5172.2-65.5-33000112D19 I24 L58 V59 N65 D66 I105D19-Y62 WeakPolarHBondContact OD1-CD2 3.43Å; I24-Y62 HydrophobicContact CD1-CD2 4.2Å; L58-Y62 HydrophobicContact CD1-CE1 3.9Å; L58-Y62 HydrophobicContact CD1-CE2 4.16Å; L58-Y62 HydrophobicContact CD2-CE2 4Å; L58-Y62 HydrophobicContact CG-CD2 4.33Å; L58-Y62 HydrophobicContact CG-CE1 4.37Å; L58-Y62 HydrophobicContact CG-CE2 3.73Å; L58-Y62 PolarHBondContact O-N 2.93Å; V59-Y62 WeakPolarHBondContact O-CB 3.41Å; V59-Y62 PolarHBondContact O-N 2.86Å; V59-Y62 VanDerWaalsContact O-N 3.14Å; Y62-N65 PolarHBondContact O-N 3.2Å; Y62-D66 PolarHBondContact O-N 3.33Å; Y62-I105 HydrophobicContact CD1-CD1 3.86Å; Y62-I105 HydrophobicContact CE1-CD1 4.06Å
63L97.6Very high94.3Very high3 Ų339.2 Ų39.22%0.01617%0.169CC..Hα-helixtrans-60.7-51.2171.5173.961.9000112L14 L17 I24 M27 V59 N65 D66 V67L14-L63 HydrophobicContact CD2-CD2 3.35Å; L17-L63 HydrophobicContact CD2-CB 4.18Å; L17-L63 HydrophobicContact CD2-CD2 3.87Å; I24-L63 HydrophobicContact CG2-CB 4.43Å; M27-L63 HydrophobicContact CB-CD1 3.91Å; M27-L63 HydrophobicContact CB-CD2 4.41Å; M27-L63 HydrophobicContact CG-CD1 3.98Å; M27-L63 HydrophobicContact CG-CD2 3.69Å; V59-L63 PolarHBondContact O-N 3.36Å; L63-N65 VanDerWaalsContact C-N 3.27Å; L63-N65 PolarHBondContact O-N 3.1Å; L63-D66 PolarHBondContact O-N 3.26Å; L63-V67 HydrophobicContact CD1-CG2 4Å; L63-V67 WeakPolarHBondContact O-CG2 3.07Å; L63-V67 PolarHBondContact O-N 2.89Å
64A96.6Very high94.1Very high0 Ų036 Ų360%016%0.159CC..Hα-helixtrans-56-45.7177.600000111W45 L60 F61 D66 V67 I68 W82W45-A64 HydrophobicContact CZ2-CB 3.8Å; L60-A64 WeakPolarHBondContact O-CB 3.45Å; L60-A64 PolarHBondContact O-N 3.13Å; F61-A64 PolarHBondContact O-N 3.48Å; A64-D66 PolarHBondContact O-N 3.44Å; A64-V67 PolarHBondContact O-N 2.94Å; A64-I68 HydrophobicContact CB-CD1 4.43Å; A64-I68 VanDerWaalsContact O-CB 3.3Å; A64-I68 WeakPolarHBondContact O-CB 3.07Å; A64-I68 WeakPolarHBondContact O-CD1 3.46Å; A64-I68 WeakPolarHBondContact O-CG1 3.47Å; A64-I68 PolarHBondContact O-N 2.94Å; A64-W82 HydrophobicContact CB-CE3 4.16Å; A64-W82 HydrophobicContact CB-CH2 3.44Å; A64-W82 VanDerWaalsContact CB-CH2 3.44Å; A64-W82 HydrophobicContact CB-CZ2 4.11Å; A64-W82 HydrophobicContact CB-CZ3 3.45Å; A64-W82 VanDerWaalsContact CB-CZ3 3.45Å
65N96.3Very high93.7Very high22 Ų2244.3 Ų44.312%0.11819%0.187CC..Hα-helixtrans-57.6-46.7177167.573.7000113.1F61 Y62 L63 Q69 I105 W109F61-N65 WeakPolarHBondContact O-CB 3.23Å; F61-N65 PolarHBondContact O-N 3.44Å; Y62-N65 PolarHBondContact O-N 3.2Å; L63-N65 VanDerWaalsContact C-N 3.27Å; L63-N65 PolarHBondContact O-N 3.1Å; N65-Q69 PolarHBondContact ND2-NE2 2.79Å; N65-Q69 WeakPolarHBondContact O-CB 3.22Å; N65-Q69 WeakPolarHBondContact O-CG 3.3Å; N65-Q69 PolarHBondContact O-N 3.14Å; N65-Q69 PolarHBondContact OD1-NE2 3.17Å; N65-I105 HydrophobicContact CB-CG2 3.97Å; N65-W109 HydrophobicContact CB-CZ2 4.21Å; N65-W109 PolarHBondContact OD1-NE1 3.04Å
66D95.6Very high93.3Very high45 Ų4543.5 Ų43.524%0.24118%0.179CC..Hα-helixtrans-68.6-43.6-180-167.863.9000112S28 Y62 L63 A64 I68 Q69 Y70S28-D66 WeakPolarHBondContact CB-OD2 3.4Å; S28-D66 PolarHBondContact OG-OD2 3.36Å; Y62-D66 PolarHBondContact O-N 3.33Å; L63-D66 PolarHBondContact O-N 3.26Å; A64-D66 PolarHBondContact O-N 3.44Å; D66-I68 PolarHBondContact O-N 2.86Å; D66-Q69 PolarHBondContact O-N 2.95Å; D66-Y70 WeakPolarHBondContact O-CB 3.47Å; D66-Y70 PolarHBondContact O-N 2.91Å
67V95.3Very high92.6Very high1 Ų149.4 Ų49.41%0.00621%0.206CC..Hα-helixtrans-59.9-43.6175.8173.90000111.3S28 C31 L32 L63 A64 S71 F78 W82S28-V67 WeakPolarHBondContact OG-CG2 3.27Å; C31-V67 HydrophobicContact CB-CG2 3.93Å; L32-V67 HydrophobicContact CD2-CG1 4.37Å; L63-V67 HydrophobicContact CD1-CG2 4Å; L63-V67 WeakPolarHBondContact O-CG2 3.07Å; L63-V67 PolarHBondContact O-N 2.89Å; A64-V67 PolarHBondContact O-N 2.94Å; V67-S71 WeakPolarHBondContact O-CB 3.37Å; V67-S71 PolarHBondContact O-N 3.46Å; V67-S71 PolarHBondContact O-OG 3.35Å; V67-F78 HydrophobicContact CG1-CD1 4.04Å; V67-F78 HydrophobicContact CG1-CD2 4.39Å; V67-F78 HydrophobicContact CG1-CE1 4.08Å; V67-F78 HydrophobicContact CG1-CE2 4.42Å; V67-F78 HydrophobicContact CG1-CG 4.2Å; V67-F78 HydrophobicContact CG1-CZ 4.27Å; V67-W82 HydrophobicContact CG1-CZ2 4.47Å
68I94.8Very high92Very high0 Ų047.5 Ų47.50%020%0.199CC..Hα-helixtrans-66.5-45.9177.5-68.4163.2000111A64 D66 Y70 S71 K72 W82 L86 W109 I114 Y115A64-I68 HydrophobicContact CB-CD1 4.43Å; A64-I68 VanDerWaalsContact O-CB 3.3Å; A64-I68 WeakPolarHBondContact O-CB 3.07Å; A64-I68 WeakPolarHBondContact O-CD1 3.46Å; A64-I68 WeakPolarHBondContact O-CG1 3.47Å; A64-I68 PolarHBondContact O-N 2.94Å; D66-I68 PolarHBondContact O-N 2.86Å; I68-Y70 PolarHBondContact O-N 3.45Å; I68-S71 WeakPolarHBondContact CA-OG 3.42Å; I68-S71 PolarHBondContact O-OG 2.91Å; I68-K72 WeakPolarHBondContact O-CB 3.38Å; I68-K72 PolarHBondContact O-N 2.96Å; I68-W82 HydrophobicContact CD1-CB 3.96Å; I68-W82 HydrophobicContact CD1-CD2 3.84Å; I68-W82 HydrophobicContact CD1-CE3 4.19Å; I68-W82 HydrophobicContact CD1-CG 3.73Å; I68-W82 HydrophobicContact CG1-CB 4.13Å; I68-W82 VanDerWaalsContact CG1-CD1 3.49Å; I68-W82 HydrophobicContact CG1-CD2 3.99Å; I68-W82 HydrophobicContact CG1-CG 3.64Å; I68-L86 HydrophobicContact CD1-CD1 3.9Å; I68-L86 HydrophobicContact CD1-CD2 4.41Å; I68-W109 HydrophobicContact CD1-CH2 4.11Å; I68-W109 HydrophobicContact CD1-CZ2 3.88Å; I68-I114 HydrophobicContact CG2-CG2 3.42Å; I68-I114 VanDerWaalsContact CG2-CG2 3.42Å; I68-Y115 HydrophobicContact CG2-CE2 4.17Å
69Q93.3Very high91.5Very high23 Ų2348.1 Ų48.111%0.10720%0.203CC..Hα-helixtrans-61.7-43.9177.9-75-17629.900112.2N65 D66 R73 I114N65-Q69 PolarHBondContact ND2-NE2 2.79Å; N65-Q69 WeakPolarHBondContact O-CB 3.22Å; N65-Q69 WeakPolarHBondContact O-CG 3.3Å; N65-Q69 PolarHBondContact O-N 3.14Å; N65-Q69 PolarHBondContact OD1-NE2 3.17Å; D66-Q69 PolarHBondContact O-N 2.95Å; Q69-R73 PolarHBondContact O-N 3Å; Q69-I114 HydrophobicContact CB-CD1 4.48Å; Q69-I114 HydrophobicContact CG-CD1 3.75Å
70Y91.9Very high91.1Very high71 Ų7156 Ų5628%0.27824%0.239SC..Hα-helixtrans-71.5-42.2-179.3-161.1-75.4000111.7L32 D66 I68 R73 K74L32-Y70 HydrophobicContact CD1-CD1 3.57Å; L32-Y70 HydrophobicContact CD1-CD2 4.19Å; L32-Y70 HydrophobicContact CD1-CE1 4.18Å; L32-Y70 HydrophobicContact CD1-CG 3.58Å; L32-Y70 HydrophobicContact CD2-CD1 3.94Å; L32-Y70 HydrophobicContact CD2-CG 4.43Å; L32-Y70 HydrophobicContact CG-CD1 4.33Å; D66-Y70 WeakPolarHBondContact O-CB 3.47Å; D66-Y70 PolarHBondContact O-N 2.91Å; I68-Y70 PolarHBondContact O-N 3.45Å; Y70-R73 WeakPolarHBondContact O-CB 3.19Å; Y70-R73 PolarHBondContact O-N 2.92Å; Y70-K74 HydrophobicContact CD1-CG 3.7Å; Y70-K74 HydrophobicContact CE1-CD 4.15Å; Y70-K74 HydrophobicContact CE1-CG 3.44Å; Y70-K74 VanDerWaalsContact CE1-CG 3.44Å; Y70-K74 PolarHBondContact O-N 3.23Å; Y70-K74 WeakPolarHBondContact OH-CE 3.36Å
71S89.9Confident90.7Very high0 Ų057.7 Ų57.70%025%0.251CS..Hα-helixtrans-64.4-38.6177.256.10000112.9V67 I68 R73 K74 R75 Y76 F78V67-S71 WeakPolarHBondContact O-CB 3.37Å; V67-S71 PolarHBondContact O-N 3.46Å; V67-S71 PolarHBondContact O-OG 3.35Å; I68-S71 WeakPolarHBondContact CA-OG 3.42Å; I68-S71 PolarHBondContact O-OG 2.91Å; S71-R73 PolarHBondContact O-N 3.49Å; S71-K74 CarbonylContact O-C 3.59Å; S71-K74 PolarHBondContact O-N 3.23Å; S71-R75 WeakPolarHBondContact O-CA 3.42Å; S71-R75 PolarHBondContact O-N 3.06Å; S71-Y76 PolarHBondContact O-N 3.45Å; S71-F78 WeakPolarHBondContact OG-CB 3.41Å
72K89.3Confident90.5Very high66 Ų6657.9 Ų57.929%0.28725%0.252SS..Hα-helixtrans-58-46.1170.7-17283.4170.5-163.40111.2I68 K74 R75 V79 E113 I114I68-K72 WeakPolarHBondContact O-CB 3.38Å; I68-K72 PolarHBondContact O-N 2.96Å; K72-K74 VanDerWaalsContact C-N 3.32Å; K72-K74 PolarHBondContact O-N 3.11Å; K72-R75 PolarHBondContact O-N 3.28Å; K72-V79 HydrophobicContact CB-CG2 4.08Å; K72-V79 HydrophobicContact CD-CG1 4.45Å; K72-V79 HydrophobicContact CD-CG2 4.21Å; K72-E113 WeakPolarHBondContact CE-O 3.49Å; K72-E113 PolarHBondContact NZ-O 3.05Å; K72-I114 HydrophobicContact CG-CG1 4.28Å; K72-I114 PolarHBondContact NZ-O 2.98Å
73R88.3Confident90.1Very high166 Ų16655.7 Ų55.763%0.62625%0.247SC*.Hα-helixtrans-63.1-33.9177.8-169.5-170-67.4133.3-4.2112.9Q69 Y70 S71Q69-R73 PolarHBondContact O-N 3Å; Y70-R73 WeakPolarHBondContact O-CB 3.19Å; Y70-R73 PolarHBondContact O-N 2.92Å; S71-R73 PolarHBondContact O-N 3.49Å
74K87.2Confident89.7Confident106 Ų10659.5 Ų59.546%0.46127%0.271SS..Hα-helixtrans-95.2-2.6179.6-66.7-66.6-170.4173.30115Y70 S71 K72 Y76Y70-K74 HydrophobicContact CD1-CG 3.7Å; Y70-K74 HydrophobicContact CE1-CD 4.15Å; Y70-K74 HydrophobicContact CE1-CG 3.44Å; Y70-K74 VanDerWaalsContact CE1-CG 3.44Å; Y70-K74 PolarHBondContact O-N 3.23Å; Y70-K74 WeakPolarHBondContact OH-CE 3.36Å; S71-K74 CarbonylContact O-C 3.59Å; S71-K74 PolarHBondContact O-N 3.23Å; K72-K74 VanDerWaalsContact C-N 3.32Å; K72-K74 PolarHBondContact O-N 3.11Å; K74-Y76 HydrophobicContact CB-CD1 4.04Å; K74-Y76 HydrophobicContact CB-CD2 3.96Å; K74-Y76 HydrophobicContact CB-CE1 3.74Å; K74-Y76 HydrophobicContact CB-CE2 3.65Å; K74-Y76 HydrophobicContact CB-CG 4.14Å; K74-Y76 HydrophobicContact CG-CE2 4.03Å
75R84.3Confident89.6Confident210 Ų21059.6 Ų59.679%0.79227%0.271SS*.THydrogen-bonded Turntrans56.247.7-173.2-52.5-65.8-171.8175.20.1113.5S71 K72S71-R75 WeakPolarHBondContact O-CA 3.42Å; S71-R75 PolarHBondContact O-N 3.06Å; K72-R75 PolarHBondContact O-N 3.28Å
76Y83.8Confident89.5Confident63 Ų6358.6 Ų58.625%0.24727%0.266CS..  trans-92.5149.8171.7-55.4-30.7000112L32 S71 K74 F78L32-Y76 HydrophobicContact CD2-CD2 4.08Å; L32-Y76 HydrophobicContact CD2-CE2 4.26Å; S71-Y76 PolarHBondContact O-N 3.45Å; K74-Y76 HydrophobicContact CB-CD1 4.04Å; K74-Y76 HydrophobicContact CB-CD2 3.96Å; K74-Y76 HydrophobicContact CB-CE1 3.74Å; K74-Y76 HydrophobicContact CB-CE2 3.65Å; K74-Y76 HydrophobicContact CB-CG 4.14Å; K74-Y76 HydrophobicContact CG-CE2 4.03Å; Y76-F78 PolarHBondContact O-N 2.98Å
77E81.1Confident89.3Confident145 Ų14560.2 Ų60.268%0.67827%0.272SS*.THydrogen-bonded Turntrans-66.613.2-176.6-57.9-175147.700116H38 C81H38-E77 IonicContact CE1-OE2 3.79Å; H38-E77 PolarHBondContact CE1-OE2 3.36Å; E77-C81 PolarHBondContact O-SG 3.27Å; E77-C81 VanDerWaalsContact O-SG 3.36Å
78F82.1Confident89.1Confident1 Ų168 Ų680%0.00430%0.301CS..Hα-helixtrans-67.9-44.8176.3-88.9-73000112.4C31 L32 R35 H38 I41 I42 V67 S71 Y76 E80 C81 W82C31-F78 WeakPolarHBondContact O-CZ 3.19Å; L32-F78 HydrophobicContact CD2-CE2 4.44Å; R35-F78 HydrophobicContact CB-CD2 4.45Å; R35-F78 HydrophobicContact CB-CE2 3.68Å; R35-F78 HydrophobicContact CB-CZ 4.45Å; H38-F78 HydrophobicContact CB-CD1 3.63Å; H38-F78 HydrophobicContact CB-CD2 4.3Å; H38-F78 HydrophobicContact CB-CE1 3.42Å; H38-F78 VanDerWaalsContact CB-CE1 3.42Å; H38-F78 HydrophobicContact CB-CE2 4.12Å; H38-F78 HydrophobicContact CB-CG 4.07Å; H38-F78 HydrophobicContact CB-CZ 3.69Å; I41-F78 HydrophobicContact CB-CE1 4.39Å; I41-F78 HydrophobicContact CD1-CE1 4.38Å; I41-F78 HydrophobicContact CD1-CZ 3.98Å; I41-F78 HydrophobicContact CG2-CE1 4.15Å; I42-F78 HydrophobicContact CD1-CD1 4.11Å; I42-F78 HydrophobicContact CG1-CD1 4.43Å; V67-F78 HydrophobicContact CG1-CD1 4.04Å; V67-F78 HydrophobicContact CG1-CD2 4.39Å; V67-F78 HydrophobicContact CG1-CE1 4.08Å; V67-F78 HydrophobicContact CG1-CE2 4.42Å; V67-F78 HydrophobicContact CG1-CG 4.2Å; V67-F78 HydrophobicContact CG1-CZ 4.27Å; S71-F78 WeakPolarHBondContact OG-CB 3.41Å; Y76-F78 PolarHBondContact O-N 2.98Å; F78-E80 PolarHBondContact O-N 2.88Å; F78-C81 PolarHBondContact O-N 3.1Å; F78-C81 VanDerWaalsContact O-N 3.15Å; F78-W82 AromaticContact CD1-CD1 3.9Å; F78-W82 AromaticContact CD1-NE1 3.44Å; F78-W82 PolarHBondContact O-N 3.21Å
79V86.3Confident89Confident17 Ų1768 Ų6810%0.10330%0.301CS..Hα-helixtrans-57.4-47.5-163.4-176.40000112.4K72 I114 Y115K72-V79 HydrophobicContact CB-CG2 4.08Å; K72-V79 HydrophobicContact CD-CG1 4.45Å; K72-V79 HydrophobicContact CD-CG2 4.21Å; V79-I114 HydrophobicContact CG1-CG2 4.24Å; V79-Y115 HydrophobicContact CG1-CD1 4.29Å; V79-Y115 HydrophobicContact CG1-CE1 3.64Å; V79-Y115 VanDerWaalsContact O-CE1 3.26Å; V79-Y115 WeakPolarHBondContact O-CE1 3.34Å; V79-Y115 PolarHBondContact O-OH 3.1Å
80E86.9Confident89Confident170 Ų17066.9 Ų66.979%0.79430%0.296SS*.Hα-helixtrans-69.1-43.4178.8-66.1175.4-167.700111.9F78 W82 A83F78-E80 PolarHBondContact O-N 2.88Å; E80-W82 VanDerWaalsContact C-N 3.27Å; E80-W82 PolarHBondContact O-N 3.09Å; E80-A83 WeakPolarHBondContact O-CB 3.15Å; E80-A83 PolarHBondContact O-N 2.99Å; E80-A83 VanDerWaalsContact O-N 3.11Å
81C89.3Confident88.8Confident37 Ų3766.3 Ų66.325%0.2530%0.3CS..Hα-helixtrans-61.2-35.8179-65.90000112.4H38 I42 E77 F78 A83H38-C81 VanDerWaalsContact CD2-SG 3.54Å; I42-C81 HydrophobicContact CD1-CB 3.43Å; I42-C81 VanDerWaalsContact CD1-CB 3.43Å; E77-C81 PolarHBondContact O-SG 3.27Å; E77-C81 VanDerWaalsContact O-SG 3.36Å; F78-C81 PolarHBondContact O-N 3.1Å; F78-C81 VanDerWaalsContact O-N 3.15Å; C81-A83 VanDerWaalsContact C-N 3.29Å; C81-A83 PolarHBondContact O-N 2.96Å
82W92.8Very high88.8Confident4 Ų469 Ų692%0.01531%0.313CS..Hα-helixtrans-63.7-30.5176.7-88.2107.1000113I42 W45 A64 V67 I68 F78 E80 T84 A85 L86 Y115I42-W82 HydrophobicContact CD1-CD2 4.24Å; I42-W82 HydrophobicContact CD1-CG 3.94Å; I42-W82 HydrophobicContact CG1-CD2 3.88Å; I42-W82 HydrophobicContact CG1-CE3 4.46Å; I42-W82 HydrophobicContact CG1-CG 4.13Å; I42-W82 HydrophobicContact CG1-CZ2 4.15Å; W45-W82 HydrophobicContact CB-CH2 4.23Å; W45-W82 AromaticContact CD1-CH2 3.78Å; W45-W82 AromaticContact CD2-CH2 3.53Å; W45-W82 HydrophobicContact CD2-CH2 3.53Å; W45-W82 AromaticContact CD2-CZ3 3.43Å; W45-W82 HydrophobicContact CD2-CZ3 3.43Å; W45-W82 VanDerWaalsContact CD2-CZ3 3.43Å; W45-W82 AromaticContact CE2-CH2 3.71Å; W45-W82 AromaticContact CE2-CZ3 3.61Å; W45-W82 HydrophobicContact CE3-CE3 4.45Å; W45-W82 HydrophobicContact CE3-CH2 4.04Å; W45-W82 AromaticContact CE3-CZ3 3.47Å; W45-W82 HydrophobicContact CE3-CZ3 3.47Å; W45-W82 VanDerWaalsContact CE3-CZ3 3.47Å; W45-W82 AromaticContact CG-CH2 3.6Å; W45-W82 HydrophobicContact CG-CH2 3.6Å; W45-W82 HydrophobicContact CG-CZ3 4.01Å; W45-W82 AromaticContact CH2-CZ3 3.93Å; W45-W82 HydrophobicContact CH2-CZ3 3.93Å; W45-W82 HydrophobicContact CZ2-CH2 4.36Å; W45-W82 AromaticContact CZ2-CZ3 3.87Å; W45-W82 HydrophobicContact CZ2-CZ3 3.87Å; W45-W82 HydrophobicContact CZ3-CE3 4.5Å; W45-W82 AromaticContact CZ3-CZ3 3.74Å; W45-W82 HydrophobicContact CZ3-CZ3 3.74Å; W45-W82 AromaticContact NE1-CH2 3.8Å; A64-W82 HydrophobicContact CB-CE3 4.16Å; A64-W82 HydrophobicContact CB-CH2 3.44Å; A64-W82 VanDerWaalsContact CB-CH2 3.44Å; A64-W82 HydrophobicContact CB-CZ2 4.11Å; A64-W82 HydrophobicContact CB-CZ3 3.45Å; A64-W82 VanDerWaalsContact CB-CZ3 3.45Å; V67-W82 HydrophobicContact CG1-CZ2 4.47Å; I68-W82 HydrophobicContact CD1-CB 3.96Å; I68-W82 HydrophobicContact CD1-CD2 3.84Å; I68-W82 HydrophobicContact CD1-CE3 4.19Å; I68-W82 HydrophobicContact CD1-CG 3.73Å; I68-W82 HydrophobicContact CG1-CB 4.13Å; I68-W82 VanDerWaalsContact CG1-CD1 3.49Å; I68-W82 HydrophobicContact CG1-CD2 3.99Å; I68-W82 HydrophobicContact CG1-CG 3.64Å; F78-W82 AromaticContact CD1-CD1 3.9Å; F78-W82 AromaticContact CD1-NE1 3.44Å; F78-W82 PolarHBondContact O-N 3.21Å; E80-W82 VanDerWaalsContact C-N 3.27Å; E80-W82 PolarHBondContact O-N 3.09Å; W82-T84 VanDerWaalsContact C-N 3.29Å; W82-T84 PolarHBondContact O-N 2.92Å; W82-T84 VanDerWaalsContact O-N 3.16Å; W82-A85 PolarHBondContact O-N 3.49Å; W82-L86 HydrophobicContact CB-CD1 4.18Å; W82-L86 HydrophobicContact CB-CG 4.43Å; W82-L86 HydrophobicContact CE3-CD2 4.25Å; W82-L86 HydrophobicContact CE3-CG 4.32Å; W82-L86 VanDerWaalsContact O-CG 3.31Å; W82-L86 WeakPolarHBondContact O-CG 3.49Å; W82-L86 PolarHBondContact O-N 3.01Å; W82-Y115 WeakPolarHBondContact CB-OH 3.25Å
83A89.9Confident88.8Confident20 Ų2065.9 Ų65.917%0.16530%0.3CS..Hα-helixtrans-58.6-37.1-168.800000113.9E80 C81 Q87 Y115 Y119E80-A83 WeakPolarHBondContact O-CB 3.15Å; E80-A83 PolarHBondContact O-N 2.99Å; E80-A83 VanDerWaalsContact O-N 3.11Å; C81-A83 VanDerWaalsContact C-N 3.29Å; C81-A83 PolarHBondContact O-N 2.96Å; A83-Q87 PolarHBondContact O-N 3Å; A83-Y115 HydrophobicContact CB-CE1 4.12Å; A83-Y119 VanDerWaalsContact CA-OH 3.26Å; A83-Y119 WeakPolarHBondContact CA-OH 3.46Å; A83-Y119 HydrophobicContact CB-CE2 4.14Å; A83-Y119 PolarHBondContact O-OH 2.74Å
84T89.8Confident88.8Confident83 Ų8360.7 Ų60.751%0.50928%0.28SS..Hα-helixtrans-76.5-29.7178.364.40000113.1W82 R88W82-T84 VanDerWaalsContact C-N 3.29Å; W82-T84 PolarHBondContact O-N 2.92Å; W82-T84 VanDerWaalsContact O-N 3.16Å; T84-R88 WeakPolarHBondContact O-CG 3.44Å
85A92.9Very high88.8Confident2 Ų258.5 Ų58.52%0.01727%0.274CS..Hα-helixtrans-74.4-38.6174.100000111.4I42 W45 L46 W82 R88 A89I42-A85 HydrophobicContact CG2-CB 3.49Å; I42-A85 VanDerWaalsContact CG2-CB 3.49Å; W45-A85 HydrophobicContact CZ3-CB 4.44Å; L46-A85 HydrophobicContact CD2-CB 4.14Å; W82-A85 PolarHBondContact O-N 3.49Å; A85-R88 PolarHBondContact O-N 2.64Å; A85-A89 WeakPolarHBondContact O-CB 3.36Å; A85-A89 PolarHBondContact O-N 3.4Å
86L94.3Very high88.9Confident0 Ų056.1 Ų56.10%027%0.271CS..Hα-helixtrans-63.6-43.7177.6-70.7173.7000112.7F61 I68 W82 R88 A89 T90 W109 Y115 L123F61-L86 HydrophobicContact CE1-CD2 3.87Å; F61-L86 HydrophobicContact CZ-CD2 4.35Å; I68-L86 HydrophobicContact CD1-CD1 3.9Å; I68-L86 HydrophobicContact CD1-CD2 4.41Å; W82-L86 HydrophobicContact CB-CD1 4.18Å; W82-L86 HydrophobicContact CB-CG 4.43Å; W82-L86 HydrophobicContact CE3-CD2 4.25Å; W82-L86 HydrophobicContact CE3-CG 4.32Å; W82-L86 VanDerWaalsContact O-CG 3.31Å; W82-L86 WeakPolarHBondContact O-CG 3.49Å; W82-L86 PolarHBondContact O-N 3.01Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 3.22Å; L86-A89 PolarHBondContact O-N 3.34Å; L86-T90 VanDerWaalsContact O-CB 3.29Å; L86-T90 WeakPolarHBondContact O-CB 3.1Å; L86-T90 PolarHBondContact O-N 3.3Å; L86-T90 PolarHBondContact O-OG1 3.08Å; L86-W109 HydrophobicContact CD1-CH2 3.73Å; L86-W109 HydrophobicContact CD1-CZ3 3.65Å; L86-W109 HydrophobicContact CD2-CH2 3.63Å; L86-W109 HydrophobicContact CD2-CZ3 4.16Å; L86-W109 HydrophobicContact CG-CH2 4.31Å; L86-W109 HydrophobicContact CG-CZ3 4.46Å; L86-Y115 HydrophobicContact CD1-CE2 3.74Å; L86-L123 HydrophobicContact CB-CD1 4.39Å
87Q91.9Very high89.2Confident80 Ų8062 Ų6237%0.37429%0.293SS..Hα-helixtrans-55.4-43.8174.1-77.2174.1-27.600111.8A83 Y119 L123A83-Q87 PolarHBondContact O-N 3Å; Q87-Y119 HydrophobicContact CG-CE2 3.95Å; Q87-L123 HydrophobicContact CB-CD2 4.37Å; Q87-L123 HydrophobicContact CG-CD2 3.8Å
88R90.7Very high89.7Confident163 Ų16355.2 Ų55.262%0.61526%0.262SS*.Hα-helixtrans-66.9-51.9177.7-67.2171.1176.7177-1.8111.4L46 T84 A85 L86 T90 T91L46-R88 HydrophobicContact CD1-CB 4.2Å; T84-R88 WeakPolarHBondContact O-CG 3.44Å; A85-R88 PolarHBondContact O-N 2.64Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 3.22Å; R88-T90 VanDerWaalsContact C-N 3.32Å; R88-T90 PolarHBondContact O-N 2.83Å; R88-T91 PolarHBondContact O-N 3.39Å; R88-T91 PolarHBondContact O-OG1 3.24Å
89A93Very high90.2Very high0 Ų057 Ų570%027%0.269CS..Hα-helixtrans-60.5-37.5-178.400000113.1W45 L46 F49 F61 A85 L86 T91 M92W45-A89 HydrophobicContact CH2-CB 3.58Å; W45-A89 HydrophobicContact CZ3-CB 3.79Å; L46-A89 HydrophobicContact CD1-CB 4.45Å; F49-A89 HydrophobicContact CD1-CB 3.88Å; F49-A89 HydrophobicContact CE1-CB 3.59Å; F49-A89 HydrophobicContact CE2-CB 4.37Å; F49-A89 HydrophobicContact CG-CB 4.39Å; F49-A89 HydrophobicContact CZ-CB 3.87Å; F61-A89 HydrophobicContact CE2-CB 4.12Å; F61-A89 HydrophobicContact CZ-CB 4.25Å; A85-A89 WeakPolarHBondContact O-CB 3.36Å; A85-A89 PolarHBondContact O-N 3.4Å; L86-A89 PolarHBondContact O-N 3.34Å; A89-T91 VanDerWaalsContact C-N 3.25Å; A89-T91 PolarHBondContact O-N 3.31Å; A89-M92 WeakPolarHBondContact O-CA 3.33Å; A89-M92 WeakPolarHBondContact O-CB 3.46Å; A89-M92 PolarHBondContact O-N 2.95Å
90T92.9Very high90.5Very high0 Ų061.8 Ų61.80%030%0.295CS..Hα-helixtrans-59.3-34.1180-60.10000112.5L86 R88 M92 V93 F106 L123 L126 L127L86-T90 VanDerWaalsContact O-CB 3.29Å; L86-T90 WeakPolarHBondContact O-CB 3.1Å; L86-T90 PolarHBondContact O-N 3.3Å; L86-T90 PolarHBondContact O-OG1 3.08Å; R88-T90 VanDerWaalsContact C-N 3.32Å; R88-T90 PolarHBondContact O-N 2.83Å; T90-M92 PolarHBondContact O-N 3.42Å; T90-V93 PolarHBondContact O-N 3.02Å; T90-F106 HydrophobicContact CG2-CE2 4.08Å; T90-F106 HydrophobicContact CG2-CZ 3.87Å; T90-L123 WeakPolarHBondContact CG2-O 3.45Å; T90-L126 HydrophobicContact CG2-CB 3.98Å; T90-L127 HydrophobicContact CG2-CB 4.14Å; T90-L127 HydrophobicContact CG2-CD1 3.91Å
91T88.8Confident90.9Very high59 Ų5958.1 Ų58.136%0.36228%0.276SS..THydrogen-bonded Turntrans-65.6-19.3175.769.30000113.4R88 A89R88-T91 PolarHBondContact O-N 3.39Å; R88-T91 PolarHBondContact O-OG1 3.24Å; A89-T91 VanDerWaalsContact C-N 3.25Å; A89-T91 PolarHBondContact O-N 3.31Å
92M88.3Confident91.2Very high57 Ų5756.3 Ų56.328%0.28126%0.264SS..THydrogen-bonded Turntrans-102.55.3-173-49.6-176.969.200113.8F49 K50 R57 A89 T90F49-M92 HydrophobicContact CD1-SD 4.39Å; F49-M92 HydrophobicContact CE1-CB 4.13Å; K50-M92 HydrophobicContact CB-CE 4.25Å; K50-M92 HydrophobicContact CG-CE 4.25Å; K50-M92 HydrophobicContact CG-SD 4.23Å; R57-M92 WeakPolarHBondContact CD-O 3.5Å; R57-M92 PolarHBondContact NH1-O 3.46Å; A89-M92 WeakPolarHBondContact O-CA 3.33Å; A89-M92 WeakPolarHBondContact O-CB 3.46Å; A89-M92 PolarHBondContact O-N 2.95Å; T90-M92 PolarHBondContact O-N 3.42Å
93V90.6Very high91.3Very high0 Ų058.4 Ų58.40%028%0.275CS..  trans-128.132178.4-69.20000112.8F49 R57 F61 T90 D95 V98 I102 L127F49-V93 HydrophobicContact CE1-CG1 4.1Å; F49-V93 HydrophobicContact CZ-CG1 3.68Å; R57-V93 HydrophobicContact CB-CG1 3.72Å; F61-V93 HydrophobicContact CD2-CG1 4.2Å; F61-V93 HydrophobicContact CD2-CG2 4.29Å; F61-V93 HydrophobicContact CE2-CG1 4.14Å; F61-V93 HydrophobicContact CE2-CG2 3.62Å; F61-V93 HydrophobicContact CZ-CG2 4.31Å; T90-V93 PolarHBondContact O-N 3.02Å; V93-D95 PolarHBondContact O-N 3.38Å; V93-V98 HydrophobicContact CB-CG2 4.07Å; V93-V98 HydrophobicContact CG1-CG2 4.47Å; V93-I102 HydrophobicContact CB-CG1 4.22Å; V93-I102 HydrophobicContact CG2-CG1 4.01Å; V93-I102 HydrophobicContact CG2-CG2 4.3Å; V93-L127 HydrophobicContact CG2-CD1 3.89Å; V93-L127 WeakPolarHBondContact O-CD1 3.47Å
94R88.5Confident91.6Very high57 Ų5766.1 Ų66.122%0.21530%0.3CS..  trans-72-8.6176.4-70.1175.3169.3161.2-4.8114.8L126R94-L126 VanDerWaalsContact CZ-O 3.27Å; R94-L126 PolarHBondContact NE-O 3.43Å; R94-L126 PolarHBondContact NH2-O 2.84Å
95D85.8Confident91.9Very high61 Ų6162.5 Ų62.533%0.32628%0.277SS..SBendtrans-66.2127.1179.2-176.3-28.8000110.8V54 V93 R97 V98 K99V54-D95 HydrophobicContact CG1-CB 3.9Å; V93-D95 PolarHBondContact O-N 3.38Å; D95-R97 PolarHBondContact O-N 2.66Å; D95-R97 VanDerWaalsContact O-N 3.09Å; D95-R97 VanDerWaalsContact OD1-CB 3.31Å; D95-R97 WeakPolarHBondContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CD 3.3Å; D95-R97 WeakPolarHBondContact OD1-CG 3.5Å; D95-R97 PolarHBondContact OD1-N 3.41Å; D95-V98 HydrophobicContact CB-CG2 4.37Å; D95-V98 WeakPolarHBondContact O-CG2 3.23Å; D95-V98 PolarHBondContact O-N 2.99Å; D95-K99 WeakPolarHBondContact O-CB 3.35Å; D95-K99 PolarHBondContact O-N 3.04Å
96E87.6Confident92Very high159 Ų15962.6 Ų62.674%0.74328%0.277SS*.Hα-helixtrans-55.1-29.2-177.1-60.6-170.5154.500113.2V98E96-V98 PolarHBondContact O-N 2.58Å; E96-V98 VanDerWaalsContact O-N 3.15Å
97R89.2Confident92Very high186 Ų18668.3 Ų68.370%0.70230%0.302SS*.Hα-helixtrans-57.4-29176.1-64170.1-179.8-1641.7113.7D95D95-R97 PolarHBondContact O-N 2.66Å; D95-R97 VanDerWaalsContact O-N 3.09Å; D95-R97 VanDerWaalsContact OD1-CB 3.31Å; D95-R97 WeakPolarHBondContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CD 3.3Å; D95-R97 WeakPolarHBondContact OD1-CG 3.5Å; D95-R97 PolarHBondContact OD1-N 3.41Å
98V93Very high92.1Very high3 Ų366.3 Ų66.32%0.01829%0.294CS..Hα-helixtrans-118.8-22.7-179.4-60.70000113V54 L58 V93 D95 E96 D100 K101 I102V54-V98 HydrophobicContact CG1-CB 4.45Å; V54-V98 HydrophobicContact CG1-CG1 3.83Å; V54-V98 HydrophobicContact CG1-CG2 3.7Å; L58-V98 HydrophobicContact CB-CB 4.47Å; L58-V98 HydrophobicContact CB-CG1 3.97Å; L58-V98 HydrophobicContact CD1-CB 4.47Å; L58-V98 HydrophobicContact CD2-CG1 4.26Å; V93-V98 HydrophobicContact CB-CG2 4.07Å; V93-V98 HydrophobicContact CG1-CG2 4.47Å; D95-V98 HydrophobicContact CB-CG2 4.37Å; D95-V98 WeakPolarHBondContact O-CG2 3.23Å; D95-V98 PolarHBondContact O-N 2.99Å; E96-V98 PolarHBondContact O-N 2.58Å; E96-V98 VanDerWaalsContact O-N 3.15Å; V98-D100 PolarHBondContact O-N 3.41Å; V98-K101 WeakPolarHBondContact O-CA 3.36Å; V98-K101 WeakPolarHBondContact O-CB 3.47Å; V98-K101 PolarHBondContact O-N 3.13Å; V98-I102 PolarHBondContact O-N 3.28Å
99K91.8Very high92.4Very high39 Ų3958.6 Ų58.617%0.1727%0.265CS..Hα-helixtrans-46-53-174.4-172.1-179.6178.1-175.70113.7D95 K101 I102 L103 L127 N128D95-K99 WeakPolarHBondContact O-CB 3.35Å; D95-K99 PolarHBondContact O-N 3.04Å; K99-K101 VanDerWaalsContact C-N 3.28Å; K99-K101 PolarHBondContact O-N 3.23Å; K99-I102 WeakPolarHBondContact O-CB 3.23Å; K99-I102 PolarHBondContact O-N 3.16Å; K99-I102 VanDerWaalsContact O-N 3.07Å; K99-L103 HydrophobicContact CG-CD1 4.39Å; K99-L103 PolarHBondContact O-N 2.87Å; K99-L127 WeakPolarHBondContact CE-O 3.49Å; K99-L127 HydrophobicContact CG-CD2 3.62Å; K99-L127 HydrophobicContact CG-CG 4.02Å; K99-N128 WeakPolarHBondContact CE-OD1 3.45Å; K99-N128 PolarHBondContact NZ-OD1 3.42Å
100D92.9Very high92.4Very high118 Ų11862.9 Ų62.963%0.63129%0.285SS*.Hα-helixtrans-65.4-31.9-178-70.3-11.9000112.9V98 I102 R104V98-D100 PolarHBondContact O-N 3.41Å; D100-I102 VanDerWaalsContact C-N 3.35Å; D100-R104 WeakPolarHBondContact O-CB 3.38Å; D100-R104 PolarHBondContact O-N 2.64Å
101K94.8Very high92.5Very high92 Ų9269.3 Ų69.340%0.432%0.315SS..Hα-helixtrans-70.3-34.1175.1-54.6175.6178.4-179.50110.9L58 V98 K99 I105L58-K101 HydrophobicContact CD1-CB 3.64Å; L58-K101 HydrophobicContact CD1-CD 3.88Å; L58-K101 HydrophobicContact CD1-CG 4.44Å; L58-K101 HydrophobicContact CD2-CD 3.41Å; L58-K101 VanDerWaalsContact CD2-CD 3.41Å; L58-K101 HydrophobicContact CG-CD 4.29Å; V98-K101 WeakPolarHBondContact O-CA 3.36Å; V98-K101 WeakPolarHBondContact O-CB 3.47Å; V98-K101 PolarHBondContact O-N 3.13Å; K99-K101 VanDerWaalsContact C-N 3.28Å; K99-K101 PolarHBondContact O-N 3.23Å; K101-I105 WeakPolarHBondContact O-CG1 3.17Å; K101-I105 PolarHBondContact O-N 3.02Å
102I95.9Very high92.8Very high0 Ų072.5 Ų72.50%032%0.32CS..Hα-helixtrans-72.6-43.9173.2-56-54.4000111.5L58 F61 V93 V98 K99 D100 R104 I105 F106 L127L58-I102 HydrophobicContact CD1-CD1 3.98Å; F61-I102 HydrophobicContact CB-CD1 3.7Å; F61-I102 HydrophobicContact CD1-CD1 4.1Å; F61-I102 HydrophobicContact CD2-CD1 3.62Å; F61-I102 HydrophobicContact CE1-CG2 4.45Å; F61-I102 HydrophobicContact CE2-CD1 4.24Å; F61-I102 HydrophobicContact CG-CD1 3.54Å; F61-I102 HydrophobicContact CZ-CG2 4.41Å; V93-I102 HydrophobicContact CB-CG1 4.22Å; V93-I102 HydrophobicContact CG2-CG1 4.01Å; V93-I102 HydrophobicContact CG2-CG2 4.3Å; V98-I102 PolarHBondContact O-N 3.28Å; K99-I102 WeakPolarHBondContact O-CB 3.23Å; K99-I102 PolarHBondContact O-N 3.16Å; K99-I102 VanDerWaalsContact O-N 3.07Å; D100-I102 VanDerWaalsContact C-N 3.35Å; I102-R104 VanDerWaalsContact C-N 3.25Å; I102-R104 PolarHBondContact O-N 2.91Å; I102-I105 HydrophobicContact CD1-CD1 4.21Å; I102-I105 WeakPolarHBondContact O-CA 3.49Å; I102-I105 WeakPolarHBondContact O-CB 3.2Å; I102-I105 PolarHBondContact O-N 3.21Å; I102-F106 HydrophobicContact CG2-CD1 4.44Å; I102-F106 HydrophobicContact CG2-CD2 4.47Å; I102-F106 HydrophobicContact CG2-CE1 3.81Å; I102-F106 HydrophobicContact CG2-CE2 3.84Å; I102-F106 HydrophobicContact CG2-CZ 3.47Å; I102-F106 VanDerWaalsContact CG2-CZ 3.47Å; I102-F106 PolarHBondContact O-N 2.98Å; I102-L127 HydrophobicContact CB-CD1 4.45Å; I102-L127 HydrophobicContact CB-CD2 4.28Å; I102-L127 HydrophobicContact CG2-CD1 4.04Å; I102-L127 HydrophobicContact CG2-CD2 4.24Å
103L94.1Very high92.9Very high47 Ų4777.5 Ų77.525%0.24634%0.343CS..Hα-helixtrans-57.8-39.2173.1-70.7174.3000111.7K99 I105 F106 K107 L127K99-L103 HydrophobicContact CG-CD1 4.39Å; K99-L103 PolarHBondContact O-N 2.87Å; L103-I105 VanDerWaalsContact C-N 3.31Å; L103-I105 PolarHBondContact O-N 3.25Å; L103-F106 PolarHBondContact O-N 3.21Å; L103-K107 WeakPolarHBondContact O-CB 3.5Å; L103-K107 PolarHBondContact O-N 2.75Å; L103-L127 HydrophobicContact CD1-CD2 4.36Å; L103-L127 HydrophobicContact CD2-CD2 3.52Å; L103-L127 HydrophobicContact CG-CD2 3.53Å
104R96Very high93Very high182 Ų18277.8 Ų77.869%0.68734%0.344SS*.Hα-helixtrans-60.9-37.5172.8-176.2-179.1177.591.1-0.5112.4D100 I102 I108D100-R104 WeakPolarHBondContact O-CB 3.38Å; D100-R104 PolarHBondContact O-N 2.64Å; I102-R104 VanDerWaalsContact C-N 3.25Å; I102-R104 PolarHBondContact O-N 2.91Å; R104-I108 HydrophobicContact CG-CD1 4.15Å; R104-I108 WeakPolarHBondContact O-CD1 3.42Å; R104-I108 VanDerWaalsContact O-CG1 3.23Å; R104-I108 WeakPolarHBondContact O-CG1 3.5Å; R104-I108 PolarHBondContact O-N 3.04Å; R104-I108 VanDerWaalsContact O-N 3.14Å
105I96.1Very high93.2Very high7 Ų776.2 Ų76.24%0.03634%0.338CS..Hα-helixtrans-66.1-48.6175.1-69167.3000110.4F61 Y62 N65 K101 I102 L103 K107 I108 W109F61-I105 HydrophobicContact CB-CD1 4.12Å; F61-I105 HydrophobicContact CD1-CD1 4.41Å; Y62-I105 HydrophobicContact CD1-CD1 3.86Å; Y62-I105 HydrophobicContact CE1-CD1 4.06Å; N65-I105 HydrophobicContact CB-CG2 3.97Å; K101-I105 WeakPolarHBondContact O-CG1 3.17Å; K101-I105 PolarHBondContact O-N 3.02Å; I102-I105 HydrophobicContact CD1-CD1 4.21Å; I102-I105 WeakPolarHBondContact O-CA 3.49Å; I102-I105 WeakPolarHBondContact O-CB 3.2Å; I102-I105 PolarHBondContact O-N 3.21Å; L103-I105 VanDerWaalsContact C-N 3.31Å; L103-I105 PolarHBondContact O-N 3.25Å; I105-K107 VanDerWaalsContact C-N 3.31Å; I105-K107 PolarHBondContact O-N 2.89Å; I105-I108 WeakPolarHBondContact O-CB 3.28Å; I105-I108 PolarHBondContact O-N 3.07Å; I105-W109 HydrophobicContact CG2-CD2 4.03Å; I105-W109 HydrophobicContact CG2-CH2 3.92Å; I105-W109 HydrophobicContact CG2-CZ2 3.32Å; I105-W109 HydrophobicContact CG2-CZ3 4.47Å; I105-W109 PolarHBondContact O-N 3.3Å
106F95.5Very high93.5Very high4 Ų478.9 Ų78.92%0.01835%0.353CS..Hα-helixtrans-59.3-41.9178.5-61.8-15.2000111.9F61 T90 I102 L103 I108 W109 E110 L123 L127F61-F106 HydrophobicContact CE1-CE1 4.13Å; T90-F106 HydrophobicContact CG2-CE2 4.08Å; T90-F106 HydrophobicContact CG2-CZ 3.87Å; I102-F106 HydrophobicContact CG2-CD1 4.44Å; I102-F106 HydrophobicContact CG2-CD2 4.47Å; I102-F106 HydrophobicContact CG2-CE1 3.81Å; I102-F106 HydrophobicContact CG2-CE2 3.84Å; I102-F106 HydrophobicContact CG2-CZ 3.47Å; I102-F106 VanDerWaalsContact CG2-CZ 3.47Å; I102-F106 PolarHBondContact O-N 2.98Å; L103-F106 PolarHBondContact O-N 3.21Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.88Å; F106-W109 AromaticContact CD1-CE3 3.79Å; F106-W109 HydrophobicContact CD1-CE3 3.79Å; F106-W109 HydrophobicContact CD1-CH2 4.39Å; F106-W109 AromaticContact CD1-CZ3 3.64Å; F106-W109 HydrophobicContact CD1-CZ3 3.64Å; F106-W109 HydrophobicContact CE1-CE3 4.34Å; F106-W109 HydrophobicContact CE1-CH2 4.31Å; F106-W109 AromaticContact CE1-CZ3 3.72Å; F106-W109 HydrophobicContact CE1-CZ3 3.72Å; F106-W109 WeakPolarHBondContact O-CA 3.45Å; F106-W109 WeakPolarHBondContact O-CB 3.43Å; F106-W109 PolarHBondContact O-N 3.02Å; F106-E110 PolarHBondContact O-N 3.3Å; F106-L123 HydrophobicContact CD1-CD1 4.36Å; F106-L123 HydrophobicContact CD2-CB 4.14Å; F106-L123 HydrophobicContact CE1-CB 4.48Å; F106-L123 HydrophobicContact CE1-CD1 3.9Å; F106-L123 HydrophobicContact CE2-CB 3.71Å; F106-L123 HydrophobicContact CZ-CB 3.9Å; F106-L123 HydrophobicContact CZ-CD1 4.02Å; F106-L127 HydrophobicContact CE2-CD2 4.49Å
107K94.4Very high93.6Very high121 Ų12178.5 Ų78.553%0.52635%0.351SS..Hα-helixtrans-62.7-31173.9-173.7154.8-166.8160.10113.7L103 I105 Q111L103-K107 WeakPolarHBondContact O-CB 3.5Å; L103-K107 PolarHBondContact O-N 2.75Å; I105-K107 VanDerWaalsContact C-N 3.31Å; I105-K107 PolarHBondContact O-N 2.89Å; K107-Q111 WeakPolarHBondContact O-CB 3.44Å; K107-Q111 WeakPolarHBondContact O-CG 3.43Å; K107-Q111 PolarHBondContact O-N 3.46Å
108I95.1Very high93.7Very high38 Ų3877 Ų7720%0.19535%0.352CS..Hα-helixtrans-75.2-27.7173.2-67.8162.4000111.3R104 I105 F106 R112R104-I108 HydrophobicContact CG-CD1 4.15Å; R104-I108 WeakPolarHBondContact O-CD1 3.42Å; R104-I108 VanDerWaalsContact O-CG1 3.23Å; R104-I108 WeakPolarHBondContact O-CG1 3.5Å; R104-I108 PolarHBondContact O-N 3.04Å; R104-I108 VanDerWaalsContact O-N 3.14Å; I105-I108 WeakPolarHBondContact O-CB 3.28Å; I105-I108 PolarHBondContact O-N 3.07Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.88Å; I108-R112 WeakPolarHBondContact O-CB 3.39Å; I108-R112 WeakPolarHBondContact O-CD 3.45Å; I108-R112 VanDerWaalsContact O-CG 3.26Å; I108-R112 WeakPolarHBondContact O-CG 3.22Å; I108-R112 PolarHBondContact O-N 3.12Å
109W95.5Very high93.7Very high0 Ų078.5 Ų78.50%036%0.357CS..Hα-helixtrans-74.7-38.7174.2-63.9-6.5000112.2F61 N65 I68 L86 I105 F106 R112 E113 I114 Y115 L120 L123F61-W109 HydrophobicContact CE1-CH2 4.19Å; N65-W109 HydrophobicContact CB-CZ2 4.21Å; N65-W109 PolarHBondContact OD1-NE1 3.04Å; I68-W109 HydrophobicContact CD1-CH2 4.11Å; I68-W109 HydrophobicContact CD1-CZ2 3.88Å; L86-W109 HydrophobicContact CD1-CH2 3.73Å; L86-W109 HydrophobicContact CD1-CZ3 3.65Å; L86-W109 HydrophobicContact CD2-CH2 3.63Å; L86-W109 HydrophobicContact CD2-CZ3 4.16Å; L86-W109 HydrophobicContact CG-CH2 4.31Å; L86-W109 HydrophobicContact CG-CZ3 4.46Å; I105-W109 HydrophobicContact CG2-CD2 4.03Å; I105-W109 HydrophobicContact CG2-CH2 3.92Å; I105-W109 HydrophobicContact CG2-CZ2 3.32Å; I105-W109 HydrophobicContact CG2-CZ3 4.47Å; I105-W109 PolarHBondContact O-N 3.3Å; F106-W109 AromaticContact CD1-CE3 3.79Å; F106-W109 HydrophobicContact CD1-CE3 3.79Å; F106-W109 HydrophobicContact CD1-CH2 4.39Å; F106-W109 AromaticContact CD1-CZ3 3.64Å; F106-W109 HydrophobicContact CD1-CZ3 3.64Å; F106-W109 HydrophobicContact CE1-CE3 4.34Å; F106-W109 HydrophobicContact CE1-CH2 4.31Å; F106-W109 AromaticContact CE1-CZ3 3.72Å; F106-W109 HydrophobicContact CE1-CZ3 3.72Å; F106-W109 WeakPolarHBondContact O-CA 3.45Å; F106-W109 WeakPolarHBondContact O-CB 3.43Å; F106-W109 PolarHBondContact O-N 3.02Å; W109-R112 CarbonylContact O-C 3.51Å; W109-R112 PolarHBondContact O-N 3.11Å; W109-E113 PolarHBondContact O-N 3.28Å; W109-I114 HydrophobicContact CB-CB 4.04Å; W109-I114 HydrophobicContact CB-CD1 4.48Å; W109-I114 HydrophobicContact CB-CG2 4.49Å; W109-I114 HydrophobicContact CG-CB 4.43Å; W109-I114 HydrophobicContact CG-CD1 4.31Å; W109-I114 HydrophobicContact CG-CG2 4.45Å; W109-I114 PolarHBondContact O-N 3.04Å; W109-Y115 HydrophobicContact CD2-CD2 4.31Å; W109-Y115 HydrophobicContact CD2-CE2 4.32Å; W109-Y115 AromaticContact CE3-CD2 3.86Å; W109-Y115 HydrophobicContact CE3-CD2 3.86Å; W109-Y115 AromaticContact CE3-CE2 3.93Å; W109-Y115 HydrophobicContact CE3-CE2 3.93Å; W109-Y115 HydrophobicContact CZ3-CE2 4.22Å; W109-L120 HydrophobicContact CB-CD1 4.13Å; W109-L120 HydrophobicContact CB-CD2 4.14Å; W109-L120 HydrophobicContact CE3-CD2 3.96Å; W109-L123 HydrophobicContact CZ3-CD1 4.35Å
110E93.9Very high93.7Very high90 Ų9077 Ų7742%0.42135%0.351SS..Hα-helixtrans-57.9-58.8170.1174-167.2-132.600110.5F106 R112 E113 L120F106-E110 PolarHBondContact O-N 3.3Å; E110-R112 PolarHBondContact O-N 3.24Å; E110-E113 PolarHBondContact O-N 3.39Å; E110-L120 VanDerWaalsContact CA-CD1 3.49Å; E110-L120 HydrophobicContact CB-CD1 3.76Å; E110-L120 VanDerWaalsContact N-CD1 3.31Å
111Q95.1Very high93.6Very high136 Ų13675.1 Ų75.164%0.63635%0.347SS*.THydrogen-bonded Turntrans-60.3-5.9179.4-73.4177.1-9.600115.5K107K107-Q111 WeakPolarHBondContact O-CB 3.44Å; K107-Q111 WeakPolarHBondContact O-CG 3.43Å; K107-Q111 PolarHBondContact O-N 3.46Å
112R93.9Very high93.4Very high125 Ų12575.6 Ų75.647%0.47235%0.354SS..THydrogen-bonded Turntrans-127.813.9-179.1-63.8-178.2-177.4-16514112.8I108 W109 E110 I114I108-R112 WeakPolarHBondContact O-CB 3.39Å; I108-R112 WeakPolarHBondContact O-CD 3.45Å; I108-R112 VanDerWaalsContact O-CG 3.26Å; I108-R112 WeakPolarHBondContact O-CG 3.22Å; I108-R112 PolarHBondContact O-N 3.12Å; W109-R112 CarbonylContact O-C 3.51Å; W109-R112 PolarHBondContact O-N 3.11Å; E110-R112 PolarHBondContact O-N 3.24Å; R112-I114 HydrophobicContact CB-CD1 4.09Å; R112-I114 HydrophobicContact CB-CG1 3.87Å; R112-I114 PolarHBondContact O-N 3.38Å
113E92.4Very high93.2Very high163 Ų16375.6 Ų75.676%0.76235%0.354SS*.THydrogen-bonded Turntrans51.434.1177-56.6175.116900112.5K72 W109 E110K72-E113 WeakPolarHBondContact CE-O 3.49Å; K72-E113 PolarHBondContact NZ-O 3.05Å; W109-E113 PolarHBondContact O-N 3.28Å; E110-E113 PolarHBondContact O-N 3.39Å
114I92.2Very high93Very high6 Ų674.9 Ų74.93%0.03135%0.354CS..SBendtrans-71.7-47.4-175-66.2-174.5000109.9I68 Q69 K72 V79 W109 R112I68-I114 HydrophobicContact CG2-CG2 3.42Å; I68-I114 VanDerWaalsContact CG2-CG2 3.42Å; Q69-I114 HydrophobicContact CB-CD1 4.48Å; Q69-I114 HydrophobicContact CG-CD1 3.75Å; K72-I114 HydrophobicContact CG-CG1 4.28Å; K72-I114 PolarHBondContact NZ-O 2.98Å; V79-I114 HydrophobicContact CG1-CG2 4.24Å; W109-I114 HydrophobicContact CB-CB 4.04Å; W109-I114 HydrophobicContact CB-CD1 4.48Å; W109-I114 HydrophobicContact CB-CG2 4.49Å; W109-I114 HydrophobicContact CG-CB 4.43Å; W109-I114 HydrophobicContact CG-CD1 4.31Å; W109-I114 HydrophobicContact CG-CG2 4.45Å; W109-I114 PolarHBondContact O-N 3.04Å; R112-I114 HydrophobicContact CB-CD1 4.09Å; R112-I114 HydrophobicContact CB-CG1 3.87Å; R112-I114 PolarHBondContact O-N 3.38Å
115Y93.1Very high92.6Very high23 Ų2367.8 Ų67.89%0.0934%0.337CS..SBendtrans-126.5163.1170.9-62.6-70.2000109.3I68 V79 W82 A83 L86 W109 Y119 L120I68-Y115 HydrophobicContact CG2-CE2 4.17Å; V79-Y115 HydrophobicContact CG1-CD1 4.29Å; V79-Y115 HydrophobicContact CG1-CE1 3.64Å; V79-Y115 VanDerWaalsContact O-CE1 3.26Å; V79-Y115 WeakPolarHBondContact O-CE1 3.34Å; V79-Y115 PolarHBondContact O-OH 3.1Å; W82-Y115 WeakPolarHBondContact CB-OH 3.25Å; A83-Y115 HydrophobicContact CB-CE1 4.12Å; L86-Y115 HydrophobicContact CD1-CE2 3.74Å; W109-Y115 HydrophobicContact CD2-CD2 4.31Å; W109-Y115 HydrophobicContact CD2-CE2 4.32Å; W109-Y115 AromaticContact CE3-CD2 3.86Å; W109-Y115 HydrophobicContact CE3-CD2 3.86Å; W109-Y115 AromaticContact CE3-CE2 3.93Å; W109-Y115 HydrophobicContact CE3-CE2 3.93Å; W109-Y115 HydrophobicContact CZ3-CE2 4.22Å; Y115-Y119 HydrophobicContact CD1-CD1 4.16Å; Y115-Y119 HydrophobicContact CD1-CE1 4.04Å; Y115-Y119 HydrophobicContact CD2-CD1 4.4Å; Y115-Y119 HydrophobicContact CD2-CE1 4.07Å; Y115-Y119 HydrophobicContact CE1-CE1 4.48Å; Y115-Y119 AromaticContact CG-CD1 3.83Å; Y115-Y119 HydrophobicContact CG-CD1 3.83Å; Y115-Y119 AromaticContact CG-CE1 3.83Å; Y115-Y119 HydrophobicContact CG-CE1 3.83Å; Y115-L120 HydrophobicContact CD2-CD2 4.21Å
116N90.7Very high92.2Very high117 Ų11769.8 Ų69.863%0.62635%0.347SS*.  trans-69.4151.8178.6-60.84.2000111.4E118 Y119 L120N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.36Å; N116-Y119 PolarHBondContact O-N 2.69Å; N116-L120 WeakPolarHBondContact O-CG 3.31Å; N116-L120 PolarHBondContact O-N 2.84Å
117E90.9Very high91.6Very high152 Ų15269.6 Ų69.671%0.7135%0.347SS*.Hα-helixtrans-55.3-43.8177.7-170.7178.9163.200112.2Y119 L120 S121E117-Y119 PolarHBondContact O-N 2.71Å; E117-L120 PolarHBondContact O-N 2.76Å; E117-S121 WeakPolarHBondContact O-CB 3.44Å; E117-S121 PolarHBondContact O-N 3.39Å
118E90.9Very high90.9Very high154 Ų15467.9 Ų67.972%0.7234%0.343SS*.Hα-helixtrans-52.9-51.4175.4-61.5172.8156.900112.2N116 L120 S121 D122N116-E118 VanDerWaalsContact C-N 3.31Å; N116-E118 PolarHBondContact O-N 3.36Å; E118-L120 PolarHBondContact O-N 3.33Å; E118-S121 WeakPolarHBondContact O-CB 3.4Å; E118-S121 PolarHBondContact O-N 3.44Å; E118-D122 PolarHBondContact O-N 2.94Å
119Y92.1Very high90.1Very high34 Ų3470.4 Ų70.413%0.13336%0.356CS..Hα-helixtrans-67.3-34.9-179.7172.4-90.4000112.5A83 Q87 Y115 N116 E117 D122 L123A83-Y119 VanDerWaalsContact CA-OH 3.26Å; A83-Y119 WeakPolarHBondContact CA-OH 3.46Å; A83-Y119 HydrophobicContact CB-CE2 4.14Å; A83-Y119 PolarHBondContact O-OH 2.74Å; Q87-Y119 HydrophobicContact CG-CE2 3.95Å; Y115-Y119 HydrophobicContact CD1-CD1 4.16Å; Y115-Y119 HydrophobicContact CD1-CE1 4.04Å; Y115-Y119 HydrophobicContact CD2-CD1 4.4Å; Y115-Y119 HydrophobicContact CD2-CE1 4.07Å; Y115-Y119 HydrophobicContact CE1-CE1 4.48Å; Y115-Y119 AromaticContact CG-CD1 3.83Å; Y115-Y119 HydrophobicContact CG-CD1 3.83Å; Y115-Y119 AromaticContact CG-CE1 3.83Å; Y115-Y119 HydrophobicContact CG-CE1 3.83Å; N116-Y119 PolarHBondContact O-N 2.69Å; E117-Y119 PolarHBondContact O-N 2.71Å; Y119-D122 PolarHBondContact O-N 3.47Å; Y119-L123 HydrophobicContact CD1-CD1 4.29Å; Y119-L123 HydrophobicContact CD1-CG 4.36Å; Y119-L123 HydrophobicContact CE1-CD1 3.5Å; Y119-L123 HydrophobicContact CE1-CG 3.86Å; Y119-L123 WeakPolarHBondContact O-CG 3.47Å; Y119-L123 PolarHBondContact O-N 3.44Å
120L92.3Very high88.2Confident7 Ų772.9 Ų72.94%0.03738%0.377CS..Hα-helixtrans-75.3-29.4176.3-66175.1000112.1W109 E110 Y115 N116 E117 E118 L123 S124W109-L120 HydrophobicContact CB-CD1 4.13Å; W109-L120 HydrophobicContact CB-CD2 4.14Å; W109-L120 HydrophobicContact CE3-CD2 3.96Å; E110-L120 VanDerWaalsContact CA-CD1 3.49Å; E110-L120 HydrophobicContact CB-CD1 3.76Å; E110-L120 VanDerWaalsContact N-CD1 3.31Å; Y115-L120 HydrophobicContact CD2-CD2 4.21Å; N116-L120 WeakPolarHBondContact O-CG 3.31Å; N116-L120 PolarHBondContact O-N 2.84Å; E117-L120 PolarHBondContact O-N 2.76Å; E118-L120 PolarHBondContact O-N 3.33Å; L120-L123 HydrophobicContact CD2-CD1 4.48Å; L120-S124 VanDerWaalsContact O-CB 3.25Å; L120-S124 WeakPolarHBondContact O-CB 3.26Å; L120-S124 PolarHBondContact O-N 3.45Å; L120-S124 PolarHBondContact O-OG 3.38Å
121S90.6Very high86.2Confident79 Ų7973.1 Ų73.155%0.55239%0.386SS*.Hα-helixtrans-65.6-45.6167.9-1670000110.5E117 E118 L123 S124 G125E117-S121 WeakPolarHBondContact O-CB 3.44Å; E117-S121 PolarHBondContact O-N 3.39Å; E118-S121 WeakPolarHBondContact O-CB 3.4Å; E118-S121 PolarHBondContact O-N 3.44Å; S121-L123 PolarHBondContact O-N 3.16Å; S121-S124 CarbonylContact O-C 3.55Å; S121-S124 PolarHBondContact O-N 2.97Å; S121-G125 PolarHBondContact O-N 3.21Å
122D91.1Very high83.8Confident102 Ų10271.7 Ų71.755%0.54539%0.389SS..Hα-helixtrans-58.7-46.9173.1-80-18.6000112.3E118 Y119 G125 L126E118-D122 PolarHBondContact O-N 2.94Å; Y119-D122 PolarHBondContact O-N 3.47Å; D122-G125 CarbonylContact O-C 3.59Å; D122-G125 PolarHBondContact O-N 2.82Å; D122-L126 WeakPolarHBondContact O-CG 3.47Å; D122-L126 PolarHBondContact O-N 3.27Å
123L91.9Very high81.2Confident0 Ų074.4 Ų74.40%040%0.404CS..Hα-helixtrans-63-42175.6-70.5-168.1000111.9L86 Q87 T90 F106 W109 Y119 L120 S121 G125 L126 L127L86-L123 HydrophobicContact CB-CD1 4.39Å; Q87-L123 HydrophobicContact CB-CD2 4.37Å; Q87-L123 HydrophobicContact CG-CD2 3.8Å; T90-L123 WeakPolarHBondContact CG2-O 3.45Å; F106-L123 HydrophobicContact CD1-CD1 4.36Å; F106-L123 HydrophobicContact CD2-CB 4.14Å; F106-L123 HydrophobicContact CE1-CB 4.48Å; F106-L123 HydrophobicContact CE1-CD1 3.9Å; F106-L123 HydrophobicContact CE2-CB 3.71Å; F106-L123 HydrophobicContact CZ-CB 3.9Å; F106-L123 HydrophobicContact CZ-CD1 4.02Å; W109-L123 HydrophobicContact CZ3-CD1 4.35Å; Y119-L123 HydrophobicContact CD1-CD1 4.29Å; Y119-L123 HydrophobicContact CD1-CG 4.36Å; Y119-L123 HydrophobicContact CE1-CD1 3.5Å; Y119-L123 HydrophobicContact CE1-CG 3.86Å; Y119-L123 WeakPolarHBondContact O-CG 3.47Å; Y119-L123 PolarHBondContact O-N 3.44Å; L120-L123 HydrophobicContact CD2-CD1 4.48Å; S121-L123 PolarHBondContact O-N 3.16Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 2.84Å; L123-L126 HydrophobicContact CD2-CD1 4.23Å; L123-L126 PolarHBondContact O-N 3.26Å; L123-L127 PolarHBondContact O-N 2.99Å
124S89.3Confident79Confident33 Ų3374.3 Ų74.323%0.23140%0.401CS..Hα-helixtrans-66.3-33.1176.3-59.20000111.7L120 S121 L127 N128L120-S124 VanDerWaalsContact O-CB 3.25Å; L120-S124 WeakPolarHBondContact O-CB 3.26Å; L120-S124 PolarHBondContact O-N 3.45Å; L120-S124 PolarHBondContact O-OG 3.38Å; S121-S124 CarbonylContact O-C 3.55Å; S121-S124 PolarHBondContact O-N 2.97Å; S124-L127 PolarHBondContact O-N 2.88Å; S124-N128 VanDerWaalsContact O-CB 3.3Å; S124-N128 WeakPolarHBondContact O-CB 3.38Å; S124-N128 PolarHBondContact O-N 3.31Å; S124-N128 PolarHBondContact O-ND2 2.99Å
125G87.4Confident76.3Confident33 Ų3377.9 Ų77.934%0.3443%0.426SS..Hα-helixtrans-64.9-49.8169.900000111.3S121 D122 L123 L127 N128 I129S121-G125 PolarHBondContact O-N 3.21Å; D122-G125 CarbonylContact O-C 3.59Å; D122-G125 PolarHBondContact O-N 2.82Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 2.84Å; G125-L127 PolarHBondContact O-N 3.45Å; G125-L127 VanDerWaalsContact O-N 3.14Å; G125-N128 CarbonylContact O-C 3.48Å; G125-N128 PolarHBondContact O-N 3.37Å; G125-I129 WeakPolarHBondContact O-CG1 3.16Å; G125-I129 PolarHBondContact O-N 2.97Å
126L87.5Confident73.8Confident48 Ų4886.1 Ų86.125%0.25147%0.465SS..Hα-helixtrans-57-30.1175.1-73.9174.4000113T90 R94 D122 L123 I129T90-L126 HydrophobicContact CG2-CB 3.98Å; R94-L126 VanDerWaalsContact CZ-O 3.27Å; R94-L126 PolarHBondContact NE-O 3.43Å; R94-L126 PolarHBondContact NH2-O 2.84Å; D122-L126 WeakPolarHBondContact O-CG 3.47Å; D122-L126 PolarHBondContact O-N 3.27Å; L123-L126 HydrophobicContact CD2-CD1 4.23Å; L123-L126 PolarHBondContact O-N 3.26Å; L126-I129 HydrophobicContact CD2-CD1 4.25Å
127L84.3Confident71.6Confident1 Ų185.6 Ų85.61%0.00547%0.466CS..Hα-helixtrans-83.3-23.6175.3-15686.4000113.8T90 V93 K99 I102 L103 F106 L123 S124 G125T90-L127 HydrophobicContact CG2-CB 4.14Å; T90-L127 HydrophobicContact CG2-CD1 3.91Å; V93-L127 HydrophobicContact CG2-CD1 3.89Å; V93-L127 WeakPolarHBondContact O-CD1 3.47Å; K99-L127 WeakPolarHBondContact CE-O 3.49Å; K99-L127 HydrophobicContact CG-CD2 3.62Å; K99-L127 HydrophobicContact CG-CG 4.02Å; I102-L127 HydrophobicContact CB-CD1 4.45Å; I102-L127 HydrophobicContact CB-CD2 4.28Å; I102-L127 HydrophobicContact CG2-CD1 4.04Å; I102-L127 HydrophobicContact CG2-CD2 4.24Å; L103-L127 HydrophobicContact CD1-CD2 4.36Å; L103-L127 HydrophobicContact CD2-CD2 3.52Å; L103-L127 HydrophobicContact CG-CD2 3.53Å; F106-L127 HydrophobicContact CE2-CD2 4.49Å; L123-L127 PolarHBondContact O-N 2.99Å; S124-L127 PolarHBondContact O-N 2.88Å; G125-L127 PolarHBondContact O-N 3.45Å; G125-L127 VanDerWaalsContact O-N 3.14Å
128N79.7Confident69.4Low85 Ų8583.2 Ų83.246%0.45546%0.459SS..Hα-helixtrans-102.3-10.8-179.7-77-54.9000114.6K99 S124 G125 A130K99-N128 WeakPolarHBondContact CE-OD1 3.45Å; K99-N128 PolarHBondContact NZ-OD1 3.42Å; S124-N128 VanDerWaalsContact O-CB 3.3Å; S124-N128 WeakPolarHBondContact O-CB 3.38Å; S124-N128 PolarHBondContact O-N 3.31Å; S124-N128 PolarHBondContact O-ND2 2.99Å; G125-N128 CarbonylContact O-C 3.48Å; G125-N128 PolarHBondContact O-N 3.37Å; N128-A130 PolarHBondContact O-N 2.92Å
129I77Confident67.5Low91 Ų9177.9 Ų77.947%0.46744%0.436SS..SBendtrans-53.5108.3154.7-70.7169.3000105.9G125 L126G125-I129 WeakPolarHBondContact O-CG1 3.16Å; G125-I129 PolarHBondContact O-N 2.97Å; L126-I129 HydrophobicContact CD2-CD1 4.25Å
130A55.3Low65.5Low52 Ų5279.4 Ų79.443%0.4345%0.452SS..  trans-50.7139174.500000108.7N128 P132N128-A130 PolarHBondContact O-N 2.92Å; A130-P132 WeakPolarHBondContact O-CA 3.48Å
131P52.8Low63.7Low94 Ų9485.3 Ų85.361%0.6148%0.483SS*.SBendtrans-50.2121.5168.824.5-33.3000106.1K133P131-K133 PolarHBondContact O-N 3.05Å
132P45.1Very low62.5Low107 Ų10789.4 Ų89.470%0.69549%0.494SS*.  trans-51.3114.4-148.615.1-30.8000109A130 K134A130-P132 WeakPolarHBondContact O-CA 3.48Å; P132-K134 PolarHBondContact O-N 2.97Å
133K39.3Very low62.2Low181 Ų18185.1 Ų85.179%0.78747%0.471SS*.  trans-50.1123.5177.5-81.6-169.4176.7-175.10105.3P131 S135P131-K133 PolarHBondContact O-N 3.05Å; K133-S135 PolarHBondContact O-N 3.41Å
134K45.6Very low62Low162 Ų16289.6 Ų89.670%0.70449%0.491SS*.  trans-65.680.9168.3-71.5-169.5174.3-169.10107.9P132 H234P132-K134 PolarHBondContact O-N 2.97Å; K134-H234 PolarHBondContact NZ-CD2 2.88Å; K134-H234 VanDerWaalsContact NZ-CD2 3.27Å; K134-H234 PolarHBondContact NZ-NE2 3.34Å
135S35.7Very low62Low80 Ų8091.6 Ų91.656%0.55950%0.499SS*.  trans-43.5140134.445.80000107.4K133 V137K133-S135 PolarHBondContact O-N 3.41Å; S135-V137 PolarHBondContact O-N 2.89Å
136Q41.3Very low62.2Low196 Ų19693.5 Ų93.592%0.91651%0.512SS*.  trans-66.378156.5-68.7171.1-59.200107.3D138Q136-D138 PolarHBondContact O-N 2.89Å
137V42.8Very low62.5Low106 Ų10694.7 Ų94.764%0.64252%0.522SS*.  trans-60121.7136.3-178.30000103.2S135 V139S135-V137 PolarHBondContact O-N 2.89Å; V137-V139 PolarHBondContact O-N 2.58Å
138D44.6Very low62.9Low103 Ų10395.8 Ų95.855%0.55153%0.527SS*.  trans-63111.3179.6-169.6-9.9000108.4Q136 S140 D141Q136-D138 PolarHBondContact O-N 2.89Å; D138-S140 PolarHBondContact O-N 3.38Å; D138-S140 VanDerWaalsContact O-N 3.16Å; D138-S140 WeakPolarHBondContact OD1-CB 3.4Å; D138-S140 PolarHBondContact OD1-N 2.97Å; D138-D141 PolarHBondContact O-N 2.79Å; D138-D141 VanDerWaalsContact O-N 3.16Å
139V51.1Low63.7Low42 Ų4295.8 Ų95.826%0.25553%0.526SS..G310 helixtrans-65.6-18.4-177.61790000110.2V137 D141 E142 F231V137-V139 PolarHBondContact O-N 2.58Å; V139-D141 PolarHBondContact O-N 2.92Å; V139-E142 PolarHBondContact O-N 2.81Å; V139-F231 HydrophobicContact CG1-CD2 3.78Å; V139-F231 HydrophobicContact CG1-CE2 4.26Å; V139-F231 WeakPolarHBondContact O-CD2 3.31Å; V139-F231 WeakPolarHBondContact O-CE2 3.38Å
140S50.4Low64.6Low65 Ų6594.2 Ų94.246%0.45553%0.527SS..G310 helixtrans-55.4-27.4171.8-163.60000114.1D138 Q144D138-S140 PolarHBondContact O-N 3.38Å; D138-S140 VanDerWaalsContact O-N 3.16Å; D138-S140 WeakPolarHBondContact OD1-CB 3.4Å; D138-S140 PolarHBondContact OD1-N 2.97Å; S140-Q144 PolarHBondContact O-NE2 3.42Å
141D54.6Low66.5Low131 Ų13193.9 Ų93.970%0.70152%0.516SS*.G310 helixtrans-88.3-23.5-177.6-90.6-8.9000114.3D138 V139 F143D138-D141 PolarHBondContact O-N 2.79Å; D138-D141 VanDerWaalsContact O-N 3.16Å; V139-D141 PolarHBondContact O-N 2.92Å; D141-F143 PolarHBondContact O-N 3.15Å
142E66.2Low68.6Low166 Ų16692.3 Ų92.378%0.77651%0.505SS*.THydrogen-bonded Turntrans-77.7-21.3-171.9-167170.7-151.200113.6V139V139-E142 PolarHBondContact O-N 2.81Å
143F84.1Confident71.1Confident12 Ų1295.8 Ų95.85%0.05350%0.504CS..  trans-133.1124.6178.6174.6-107.2000112.9D141 N145 L148 A227 A228 F231 Y232D141-F143 PolarHBondContact O-N 3.15Å; F143-N145 VanDerWaalsContact CE1-OD1 3.23Å; F143-N145 WeakPolarHBondContact CE1-OD1 3.31Å; F143-N145 VanDerWaalsContact CZ-OD1 3.27Å; F143-N145 WeakPolarHBondContact CZ-OD1 3.28Å; F143-L148 HydrophobicContact CE2-CB 4.07Å; F143-L148 HydrophobicContact CE2-CD2 4.05Å; F143-L148 HydrophobicContact CZ-CB 4.2Å; F143-L148 HydrophobicContact CZ-CD2 3.8Å; F143-A227 HydrophobicContact CD2-CB 4.24Å; F143-A228 HydrophobicContact CD1-CB 4.35Å; F143-A228 HydrophobicContact CD2-CB 3.96Å; F143-A228 HydrophobicContact CE1-CB 3.85Å; F143-A228 HydrophobicContact CE2-CB 3.42Å; F143-A228 VanDerWaalsContact CE2-CB 3.42Å; F143-A228 HydrophobicContact CG-CB 4.4Å; F143-A228 HydrophobicContact CZ-CB 3.36Å; F143-F231 HydrophobicContact CB-CB 3.87Å; F143-F231 HydrophobicContact CB-CD2 3.77Å; F143-F231 HydrophobicContact CB-CE2 4.42Å; F143-F231 HydrophobicContact CB-CG 3.83Å; F143-F231 HydrophobicContact CD1-CB 4.18Å; F143-F231 AromaticContact CD1-CD1 3.71Å; F143-F231 HydrophobicContact CD1-CD1 3.71Å; F143-F231 HydrophobicContact CD1-CD2 4.37Å; F143-F231 HydrophobicContact CD1-CE1 4.12Å; F143-F231 AromaticContact CD1-CG 3.85Å; F143-F231 HydrophobicContact CD1-CG 3.85Å; F143-F231 HydrophobicContact CE1-CD1 4.49Å; F143-F231 HydrophobicContact CG-CB 4.22Å; F143-F231 HydrophobicContact CG-CG 4.21Å; F143-Y232 HydrophobicContact CD1-CE2 4.42Å; F143-Y232 AromaticContact CE1-CE2 3.79Å; F143-Y232 HydrophobicContact CE1-CE2 3.79Å
144Q87.6Confident73.8Confident94 Ų9492.2 Ų92.244%0.43949%0.49SS..  trans-120.3107.7-176.6-68.3-63.6-29.500111.1S140 A146 T147 L148S140-Q144 PolarHBondContact O-NE2 3.42Å; Q144-A146 VanDerWaalsContact C-N 3.27Å; Q144-A146 PolarHBondContact O-N 3.22Å; Q144-T147 WeakPolarHBondContact O-CB 3.43Å; Q144-T147 PolarHBondContact O-N 3.06Å; Q144-L148 PolarHBondContact O-N 3.08Å
145N90.3Very high76.3Confident74 Ų7485.4 Ų85.440%0.39646%0.463SS..Hα-helixtrans-54.1-40-178.8-102.5-21.1000113.4F143 T147 L148 I149 Y232F143-N145 VanDerWaalsContact CE1-OD1 3.23Å; F143-N145 WeakPolarHBondContact CE1-OD1 3.31Å; F143-N145 VanDerWaalsContact CZ-OD1 3.27Å; F143-N145 WeakPolarHBondContact CZ-OD1 3.28Å; N145-T147 VanDerWaalsContact C-N 3.26Å; N145-T147 PolarHBondContact O-N 3.49Å; N145-L148 PolarHBondContact O-N 3.42Å; N145-I149 VanDerWaalsContact O-CG1 3.29Å; N145-I149 WeakPolarHBondContact O-CG1 3.48Å; N145-I149 PolarHBondContact O-N 2.93Å; N145-Y232 PolarHBondContact ND2-OH 3.21Å
146A91.9Very high79.2Confident74 Ų7485.5 Ų85.561%0.61246%0.46SS*.Hα-helixtrans-59.9-37.3178.100000112.3Q144 A150Q144-A146 VanDerWaalsContact C-N 3.27Å; Q144-A146 PolarHBondContact O-N 3.22Å; A146-A150 WeakPolarHBondContact O-CB 3.46Å; A146-A150 PolarHBondContact O-N 3.44Å
147T92.1Very high81.9Confident73 Ų7382.2 Ų82.245%0.44845%0.445SS..Hα-helixtrans-68.9-43.2177-53.80000111.4Q144 N145 A150 Q151Q144-T147 WeakPolarHBondContact O-CB 3.43Å; Q144-T147 PolarHBondContact O-N 3.06Å; N145-T147 VanDerWaalsContact C-N 3.26Å; N145-T147 PolarHBondContact O-N 3.49Å; T147-A150 PolarHBondContact O-N 3.01Å; T147-Q151 WeakPolarHBondContact O-CB 3.34Å; T147-Q151 VanDerWaalsContact O-CG 3.3Å; T147-Q151 WeakPolarHBondContact O-CG 3.47Å; T147-Q151 PolarHBondContact O-N 2.8Å
148L94.3Very high84.4Confident24 Ų2478.5 Ų78.513%0.12642%0.421CS..Hα-helixtrans-60.7-46.8174.4174.760.1000111.3F143 Q144 N145 A150 Q151 V152 I225 A228F143-L148 HydrophobicContact CE2-CB 4.07Å; F143-L148 HydrophobicContact CE2-CD2 4.05Å; F143-L148 HydrophobicContact CZ-CB 4.2Å; F143-L148 HydrophobicContact CZ-CD2 3.8Å; Q144-L148 PolarHBondContact O-N 3.08Å; N145-L148 PolarHBondContact O-N 3.42Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 3Å; L148-Q151 PolarHBondContact O-N 3.07Å; L148-V152 HydrophobicContact CD1-CG2 4.01Å; L148-V152 HydrophobicContact CG-CG2 4.48Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.19Å; L148-I225 HydrophobicContact CD1-CG1 3.74Å; L148-I225 HydrophobicContact CD2-CG1 4.41Å; L148-A228 HydrophobicContact CD2-CB 4.31Å
149I95.3Very high86.9Confident85 Ų8574.5 Ų74.544%0.43640%0.402SS..Hα-helixtrans-61.3-40.3178.5-67.2163.8000111.2N145 R153N145-I149 VanDerWaalsContact O-CG1 3.29Å; N145-I149 WeakPolarHBondContact O-CG1 3.48Å; N145-I149 PolarHBondContact O-N 2.93Å; I149-R153 VanDerWaalsContact O-CG 3.31Å; I149-R153 WeakPolarHBondContact O-CG 3.25Å; I149-R153 PolarHBondContact O-N 3.11Å; I149-R153 VanDerWaalsContact O-N 3.12Å
150A95.6Very high89.1Confident57 Ų5777.1 Ų77.147%0.47141%0.412SS..Hα-helixtrans-64.6-46175.400000112.2A146 T147 L148 V152 R153 E154A146-A150 WeakPolarHBondContact O-CB 3.46Å; A146-A150 PolarHBondContact O-N 3.44Å; T147-A150 PolarHBondContact O-N 3.01Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 3Å; A150-V152 PolarHBondContact O-N 3.44Å; A150-R153 PolarHBondContact O-N 2.94Å; A150-E154 PolarHBondContact O-N 3.04Å
151Q95.3Very high91.2Very high46 Ų4677 Ų7722%0.21541%0.405CS..Hα-helixtrans-63.7-39.1177.9-72.3172-24.700112.4T147 L148 E154 C155 V221 S224T147-Q151 WeakPolarHBondContact O-CB 3.34Å; T147-Q151 VanDerWaalsContact O-CG 3.3Å; T147-Q151 WeakPolarHBondContact O-CG 3.47Å; T147-Q151 PolarHBondContact O-N 2.8Å; L148-Q151 PolarHBondContact O-N 3.07Å; Q151-E154 PolarHBondContact O-N 3.27Å; Q151-C155 VanDerWaalsContact O-CB 3.27Å; Q151-C155 WeakPolarHBondContact O-CB 3.48Å; Q151-C155 PolarHBondContact O-N 3.45Å; Q151-V221 HydrophobicContact CB-CG2 3.8Å; Q151-V221 WeakPolarHBondContact O-CG2 3.5Å; Q151-S224 PolarHBondContact OE1-OG 3.31Å; Q151-S224 VanDerWaalsContact OE1-OG 3.11Å
152V97.4Very high93.1Very high61 Ų6170.9 Ų70.937%0.3737%0.373SS..Hα-helixtrans-63.2-42.1174.9169.60000110.9L148 A150 C155 V156 V221L148-V152 HydrophobicContact CD1-CG2 4.01Å; L148-V152 HydrophobicContact CG-CG2 4.48Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.19Å; A150-V152 PolarHBondContact O-N 3.44Å; V152-C155 WeakPolarHBondContact O-CB 3.36Å; V152-C155 PolarHBondContact O-N 3.22Å; V152-V156 WeakPolarHBondContact O-CG2 3.47Å; V152-V156 PolarHBondContact O-N 3.08Å; V152-V221 HydrophobicContact CG2-CG1 3.85Å; V152-V221 HydrophobicContact CG2-CG2 4.34Å
153R97.1Very high94.5Very high180 Ų18066.9 Ų66.968%0.67936%0.356SS*.Hα-helixtrans-63.9-46.7175.8-71.6171.4-180-170.40.2112.3I149 A150 C155 V156 E157I149-R153 VanDerWaalsContact O-CG 3.31Å; I149-R153 WeakPolarHBondContact O-CG 3.25Å; I149-R153 PolarHBondContact O-N 3.11Å; I149-R153 VanDerWaalsContact O-N 3.12Å; A150-R153 PolarHBondContact O-N 2.94Å; R153-C155 VanDerWaalsContact C-N 3.27Å; R153-C155 PolarHBondContact O-N 3.1Å; R153-V156 PolarHBondContact O-N 3.11Å; R153-E157 PolarHBondContact O-N 3.5Å
154E96.8Very high95Very high106 Ų10671 Ų7150%0.49538%0.375SS..Hα-helixtrans-58.2-40.8174.3-175-172.4174.700111.3A150 Q151 V156 E157 L158A150-E154 PolarHBondContact O-N 3.04Å; Q151-E154 PolarHBondContact O-N 3.27Å; E154-V156 PolarHBondContact O-N 3.19Å; E154-E157 PolarHBondContact O-N 3.4Å; E154-L158 HydrophobicContact CG-CD1 3.93Å; E154-L158 HydrophobicContact CG-CG 4.46Å; E154-L158 WeakPolarHBondContact O-CB 3.31Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.41Å; E154-L158 PolarHBondContact O-N 2.86Å
155C97.3Very high95.2Very high19 Ų1967.1 Ų67.113%0.12836%0.358CS..Hα-helixtrans-65.1-36.8178.3-172.70000113.1Q151 V152 R153 A159 S217 R218 V221Q151-C155 VanDerWaalsContact O-CB 3.27Å; Q151-C155 WeakPolarHBondContact O-CB 3.48Å; Q151-C155 PolarHBondContact O-N 3.45Å; V152-C155 WeakPolarHBondContact O-CB 3.36Å; V152-C155 PolarHBondContact O-N 3.22Å; R153-C155 VanDerWaalsContact C-N 3.27Å; R153-C155 PolarHBondContact O-N 3.1Å; C155-A159 WeakPolarHBondContact O-CB 3.42Å; C155-A159 PolarHBondContact O-N 3.39Å; C155-A159 VanDerWaalsContact O-N 3.08Å; C155-S217 WeakPolarHBondContact CA-OG 3.42Å; C155-S217 WeakPolarHBondContact CB-OG 3.19Å; C155-S217 PolarHBondContact N-OG 2.86Å; C155-R218 WeakPolarHBondContact SG-CG 3.38Å; C155-V221 HydrophobicContact CB-CG2 3.89Å
156V97.5Very high95.3Very high82 Ų8267.5 Ų67.550%0.49736%0.358SS..Hα-helixtrans-70.6-44.9175.5172.30000111V152 R153 E154 L158 A159 E160V152-V156 WeakPolarHBondContact O-CG2 3.47Å; V152-V156 PolarHBondContact O-N 3.08Å; R153-V156 PolarHBondContact O-N 3.11Å; E154-V156 PolarHBondContact O-N 3.19Å; V156-L158 VanDerWaalsContact C-N 3.33Å; V156-L158 PolarHBondContact O-N 3.41Å; V156-A159 PolarHBondContact O-N 3.22Å; V156-E160 PolarHBondContact O-N 3.14Å
157E96.8Very high95.2Very high127 Ų12771.8 Ų71.859%0.59337%0.365SS*.Hα-helixtrans-60.8-42176.6-173.3-179174.100111.6R153 E154 E160 I161R153-E157 PolarHBondContact O-N 3.5Å; E154-E157 PolarHBondContact O-N 3.4Å; E157-E160 PolarHBondContact O-N 2.99Å; E157-I161 HydrophobicContact CG-CD1 3.95Å; E157-I161 WeakPolarHBondContact O-CB 3.31Å; E157-I161 WeakPolarHBondContact O-CD1 3.27Å; E157-I161 VanDerWaalsContact O-CG1 3.25Å; E157-I161 WeakPolarHBondContact O-CG1 3.34Å; E157-I161 PolarHBondContact O-N 3.42Å
158L96.3Very high95Very high27 Ų2774.4 Ų74.414%0.14137%0.371CS..Hα-helixtrans-65.2-38.9175.8-74.3170.4000112.7E154 V156 I161 T162 N213 E214E154-L158 HydrophobicContact CG-CD1 3.93Å; E154-L158 HydrophobicContact CG-CG 4.46Å; E154-L158 WeakPolarHBondContact O-CB 3.31Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.41Å; E154-L158 PolarHBondContact O-N 2.86Å; V156-L158 VanDerWaalsContact C-N 3.33Å; V156-L158 PolarHBondContact O-N 3.41Å; L158-I161 PolarHBondContact O-N 2.97Å; L158-T162 PolarHBondContact O-N 3.35Å; L158-T162 PolarHBondContact O-OG1 2.87Å; L158-N213 HydrophobicContact CD2-CB 4.02Å; L158-E214 HydrophobicContact CB-CB 4.1Å; L158-E214 HydrophobicContact CB-CG 4.12Å
159A96.9Very high94.5Very high19 Ų1975.8 Ų75.816%0.15738%0.378CS..Hα-helixtrans-62.7-46.6174.500000111.5C155 V156 I161 T162 D163 E214C155-A159 WeakPolarHBondContact O-CB 3.42Å; C155-A159 PolarHBondContact O-N 3.39Å; C155-A159 VanDerWaalsContact O-N 3.08Å; V156-A159 PolarHBondContact O-N 3.22Å; A159-I161 VanDerWaalsContact C-N 3.25Å; A159-I161 PolarHBondContact O-N 2.96Å; A159-T162 WeakPolarHBondContact O-CB 3.43Å; A159-T162 PolarHBondContact O-N 3.43Å; A159-T162 VanDerWaalsContact O-N 3.13Å; A159-D163 PolarHBondContact O-N 3.17Å; A159-E214 HydrophobicContact CB-CG 4.38Å
160E96.7Very high93.6Very high98 Ų9874.1 Ų74.146%0.45837%0.372SS..Hα-helixtrans-57.4-38.4172.9-79.1-168.4-136.100112.4V156 E157 K164V156-E160 PolarHBondContact O-N 3.14Å; E157-E160 PolarHBondContact O-N 2.99Å; E160-K164 WeakPolarHBondContact O-CB 3.49Å; E160-K164 VanDerWaalsContact O-CD 3.23Å; E160-K164 WeakPolarHBondContact O-CD 3.27Å; E160-K164 WeakPolarHBondContact O-CG 3.38Å; E160-K164 PolarHBondContact O-N 2.96Å; E160-K164 WeakPolarHBondContact OE2-CE 3.36Å; E160-K164 IonicContact OE2-NZ 2.73Å; E160-K164 PolarHBondContact OE2-NZ 3Å
161I94.9Very high92.5Very high62 Ų6280.3 Ų80.332%0.31839%0.388SS..Hα-helixtrans-71.5-33.6178.2-72.7167.1000112E157 L158 A159 S165 N210E157-I161 HydrophobicContact CG-CD1 3.95Å; E157-I161 WeakPolarHBondContact O-CB 3.31Å; E157-I161 WeakPolarHBondContact O-CD1 3.27Å; E157-I161 VanDerWaalsContact O-CG1 3.25Å; E157-I161 WeakPolarHBondContact O-CG1 3.34Å; E157-I161 PolarHBondContact O-N 3.42Å; L158-I161 PolarHBondContact O-N 2.97Å; A159-I161 VanDerWaalsContact C-N 3.25Å; A159-I161 PolarHBondContact O-N 2.96Å; I161-S165 PolarHBondContact O-N 3.44Å; I161-S165 PolarHBondContact O-OG 3.11Å; I161-N210 HydrophobicContact CG2-CB 4.22Å; I161-N210 VanDerWaalsContact CG2-ND2 3.3Å; I161-N210 WeakPolarHBondContact CG2-ND2 3.49Å; I161-N210 PolarHBondContact O-ND2 3.31Å
162T95.5Very high90.9Very high3 Ų383.6 Ų83.62%0.01841%0.414CS..Hα-helixtrans-66.1-50.1170.5-63.50000110.7L158 A159 K164 S165 M166 Y207 L211 E214L158-T162 PolarHBondContact O-N 3.35Å; L158-T162 PolarHBondContact O-OG1 2.87Å; A159-T162 WeakPolarHBondContact O-CB 3.43Å; A159-T162 PolarHBondContact O-N 3.43Å; A159-T162 VanDerWaalsContact O-N 3.13Å; T162-K164 PolarHBondContact O-N 3.12Å; T162-S165 CarbonylContact O-C 3.52Å; T162-S165 PolarHBondContact O-N 3.06Å; T162-S165 PolarHBondContact O-OG 2.87Å; T162-M166 PolarHBondContact O-N 2.88Å; T162-Y207 HydrophobicContact CG2-CD2 4.14Å; T162-Y207 HydrophobicContact CG2-CE2 3.58Å; T162-L211 HydrophobicContact CG2-CB 4.21Å; T162-L211 HydrophobicContact CG2-CD1 4.13Å; T162-E214 WeakPolarHBondContact CB-OE2 3.49Å; T162-E214 WeakPolarHBondContact CG2-OE2 3.29Å; T162-E214 PolarHBondContact OG1-OE2 3.44Å
163D95.1Very high89Confident81 Ų8183.6 Ų83.643%0.43342%0.415SS..Hα-helixtrans-62.9-43.9-179.6-72.7-23.2000111.8A159 S165 M166 Q167A159-D163 PolarHBondContact O-N 3.17Å; D163-S165 PolarHBondContact O-N 2.94Å; D163-S165 VanDerWaalsContact O-N 3.17Å; D163-M166 WeakPolarHBondContact O-CB 3.36Å; D163-M166 PolarHBondContact O-N 3.41Å; D163-M166 VanDerWaalsContact O-N 3.14Å; D163-Q167 WeakPolarHBondContact O-CG 3.43Å; D163-Q167 PolarHBondContact O-N 3.23Å
164K93.9Very high87.1Confident100 Ų10081.3 Ų81.344%0.43542%0.421SS..Hα-helixtrans-66.4-12.3175.1-68.8164.8-164.2170.10113.6E160 T162 K168E160-K164 WeakPolarHBondContact O-CB 3.49Å; E160-K164 VanDerWaalsContact O-CD 3.23Å; E160-K164 WeakPolarHBondContact O-CD 3.27Å; E160-K164 WeakPolarHBondContact O-CG 3.38Å; E160-K164 PolarHBondContact O-N 2.96Å; E160-K164 WeakPolarHBondContact OE2-CE 3.36Å; E160-K164 IonicContact OE2-NZ 2.73Å; E160-K164 PolarHBondContact OE2-NZ 3Å; T162-K164 PolarHBondContact O-N 3.12Å; K164-K168 WeakPolarHBondContact O-CD 3.41Å; K164-K168 WeakPolarHBondContact O-CE 3.49Å; K164-K168 WeakPolarHBondContact O-CG 3.39Å; K164-K168 PolarHBondContact O-NZ 3.35Å
165S92.4Very high85.5Confident12 Ų1282 Ų828%0.08442%0.423CS..Hα-helixtrans-100.4-29.116967.10000112.8I161 T162 D163 K168 L169 Y207 N210I161-S165 PolarHBondContact O-N 3.44Å; I161-S165 PolarHBondContact O-OG 3.11Å; T162-S165 CarbonylContact O-C 3.52Å; T162-S165 PolarHBondContact O-N 3.06Å; T162-S165 PolarHBondContact O-OG 2.87Å; D163-S165 PolarHBondContact O-N 2.94Å; D163-S165 VanDerWaalsContact O-N 3.17Å; S165-K168 PolarHBondContact O-N 3.47Å; S165-K168 VanDerWaalsContact O-N 3.14Å; S165-L169 PolarHBondContact O-N 2.94Å; S165-Y207 WeakPolarHBondContact OG-CA 3.48Å; S165-N210 WeakPolarHBondContact CB-ND2 2.85Å; S165-N210 PolarHBondContact OG-ND2 3.49Å
166M91.9Very high84.3Confident81 Ų8187.1 Ų87.140%0.39945%0.445SS..Hα-helixtrans-60.9-46.6169.9-159-164.4-52.800111.1T162 D163 K168 L169 Y207T162-M166 PolarHBondContact O-N 2.88Å; D163-M166 WeakPolarHBondContact O-CB 3.36Å; D163-M166 PolarHBondContact O-N 3.41Å; D163-M166 VanDerWaalsContact O-N 3.14Å; M166-K168 PolarHBondContact O-N 3.05Å; M166-K168 VanDerWaalsContact O-N 3.13Å; M166-L169 HydrophobicContact CG-CD1 4.23Å; M166-L169 VanDerWaalsContact O-CB 3.29Å; M166-L169 WeakPolarHBondContact O-CB 3.47Å; M166-L169 WeakPolarHBondContact O-CG 3.42Å; M166-L169 PolarHBondContact O-N 3.43Å; M166-Y207 HydrophobicContact CB-CD2 3.87Å; M166-Y207 HydrophobicContact CB-CE2 3.61Å; M166-Y207 HydrophobicContact CE-CE2 4.01Å; M166-Y207 HydrophobicContact CG-CD2 4.26Å; M166-Y207 HydrophobicContact CG-CE2 3.69Å
167Q90.2Very high83.2Confident164 Ų16488 Ų8877%0.76645%0.446SS*.THydrogen-bonded Turntrans-63.3-15.5175.1-68.7174.67.500113.9D163D163-Q167 WeakPolarHBondContact O-CG 3.43Å; D163-Q167 PolarHBondContact O-N 3.23Å
168K87.7Confident82.3Confident129 Ų12987.5 Ų87.556%0.56144%0.443SS*.THydrogen-bonded Turntrans-96.9-4.8176-67.3172.8-172.1158.40113.1K164 S165 M166 P170 F203K164-K168 WeakPolarHBondContact O-CD 3.41Å; K164-K168 WeakPolarHBondContact O-CE 3.49Å; K164-K168 WeakPolarHBondContact O-CG 3.39Å; K164-K168 PolarHBondContact O-NZ 3.35Å; S165-K168 PolarHBondContact O-N 3.47Å; S165-K168 VanDerWaalsContact O-N 3.14Å; M166-K168 PolarHBondContact O-N 3.05Å; M166-K168 VanDerWaalsContact O-N 3.13Å; K168-P170 WeakPolarHBondContact O-CD 3.46Å; K168-F203 HydrophobicContact CB-CD1 4.36Å; K168-F203 HydrophobicContact CB-CE1 4.39Å
169L84.3Confident81.3Confident53 Ų5389 Ų8928%0.27745%0.453SS..SBendtrans-64.5127.3170.4-64.2174.5000108.6S165 M166 F203 I204 Y207S165-L169 PolarHBondContact O-N 2.94Å; M166-L169 HydrophobicContact CG-CD1 4.23Å; M166-L169 VanDerWaalsContact O-CB 3.29Å; M166-L169 WeakPolarHBondContact O-CB 3.47Å; M166-L169 WeakPolarHBondContact O-CG 3.42Å; M166-L169 PolarHBondContact O-N 3.43Å; L169-F203 HydrophobicContact CD2-CB 4.2Å; L169-I204 HydrophobicContact CD2-CG1 3.95Å; L169-Y207 HydrophobicContact CD1-CD1 3.96Å; L169-Y207 HydrophobicContact CD1-CD2 4.47Å; L169-Y207 HydrophobicContact CD1-CE1 4.36Å; L169-Y207 HydrophobicContact CD1-CG 4.01Å; L169-Y207 HydrophobicContact CD2-CG 4.41Å; L169-Y207 HydrophobicContact CG-CG 4.48Å
170P76.9Confident80.2Confident49 Ų4990 Ų9032%0.31846%0.456SS..PPolyproline II helixtrans-55.9146.7166.6-24.436000109.8K168 F203K168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-F203 HydrophobicContact CG-CD2 3.86Å; P170-F203 HydrophobicContact CG-CE2 4.3Å
171K72.8Confident79.2Confident187 Ų18791 Ų9181%0.81346%0.459SS*.PPolyproline II helixtrans-51.1141.2167-70-174.4177.7-175.80108.5P173K171-P173 VanDerWaalsContact O-CD 3.25Å; K171-P173 WeakPolarHBondContact O-CD 3.22Å
172P61Low78.3Confident115 Ų11594.6 Ų94.675%0.74747%0.474SS*.  trans-51.1115.2-179.121.3-33.3000108.6T174P172-T174 PolarHBondContact O-N 3.15Å
173P56.9Low77.1Confident61 Ų6198.5 Ų98.540%0.39649%0.492SS..  trans-65.1126.8-167.9-23.833.9000110.1K171 F175K171-P173 VanDerWaalsContact O-CD 3.25Å; K171-P173 WeakPolarHBondContact O-CD 3.22Å; P173-F175 HydrophobicContact CB-CD1 3.92Å; P173-F175 HydrophobicContact CB-CD2 3.91Å; P173-F175 HydrophobicContact CB-CE1 3.71Å; P173-F175 HydrophobicContact CB-CE2 3.7Å; P173-F175 HydrophobicContact CB-CG 4.03Å; P173-F175 HydrophobicContact CB-CZ 3.6Å; P173-F175 HydrophobicContact CG-CE1 4.18Å; P173-F175 HydrophobicContact CG-CE2 3.86Å; P173-F175 HydrophobicContact CG-CZ 3.66Å; P173-F175 WeakPolarHBondContact O-CD2 3.42Å; P173-F175 PolarHBondContact O-N 3.36Å
174T57.8Low76.2Confident132 Ų13299 Ų9981%0.8149%0.494SS*.  trans-69.477.4166.348.20000107.8P172 E176P172-T174 PolarHBondContact O-N 3.15Å; T174-E176 PolarHBondContact O-N 3.29Å
175F62.9Low75.5Confident120 Ų120102.4 Ų102.453%0.52651%0.509SS..  trans-70.874.8178.9-69.5-62000109.6P173 I177 I180P173-F175 HydrophobicContact CB-CD1 3.92Å; P173-F175 HydrophobicContact CB-CD2 3.91Å; P173-F175 HydrophobicContact CB-CE1 3.71Å; P173-F175 HydrophobicContact CB-CE2 3.7Å; P173-F175 HydrophobicContact CB-CG 4.03Å; P173-F175 HydrophobicContact CB-CZ 3.6Å; P173-F175 HydrophobicContact CG-CE1 4.18Å; P173-F175 HydrophobicContact CG-CE2 3.86Å; P173-F175 HydrophobicContact CG-CZ 3.66Å; P173-F175 WeakPolarHBondContact O-CD2 3.42Å; P173-F175 PolarHBondContact O-N 3.36Å; F175-I177 WeakPolarHBondContact O-CG1 3.35Å; F175-I177 PolarHBondContact O-N 2.92Å; F175-I180 HydrophobicContact CB-CD1 3.71Å; F175-I180 HydrophobicContact CD1-CD1 3.71Å; F175-I180 HydrophobicContact CG-CD1 4.17Å
176E72.3Confident74.9Confident127 Ų127105.3 Ų105.359%0.59352%0.524SS*.  trans-61.899.8168.1-72.1-171.1172.600108.5T174 E178 V179 I180T174-E176 PolarHBondContact O-N 3.29Å; E176-E178 PolarHBondContact O-N 2.87Å; E176-E178 VanDerWaalsContact O-N 3.11Å; E176-V179 HydrophobicContact CB-CB 4.11Å; E176-V179 HydrophobicContact CB-CG2 3.87Å; E176-V179 PolarHBondContact O-N 3.02Å; E176-V179 VanDerWaalsContact OE2-CG2 3.28Å; E176-V179 WeakPolarHBondContact OE2-CG2 3.17Å; E176-I180 WeakPolarHBondContact O-CG1 3.35Å; E176-I180 PolarHBondContact O-N 3.47Å
177I74.2Confident74.3Confident101 Ų101110.2 Ų110.252%0.51854%0.543SS..Hα-helixtrans-57.2-34.1-170.5-59.2179.5000110.2F175 I180 K181F175-I177 WeakPolarHBondContact O-CG1 3.35Å; F175-I177 PolarHBondContact O-N 2.92Å; I177-I180 PolarHBondContact O-N 3.47Å; I177-K181 HydrophobicContact CG2-CD 4.03Å; I177-K181 VanDerWaalsContact CG2-CE 3.45Å; I177-K181 HydrophobicContact CG2-CG 4.39Å; I177-K181 WeakPolarHBondContact O-CB 3.32Å; I177-K181 WeakPolarHBondContact O-CD 3.49Å; I177-K181 WeakPolarHBondContact O-CG 3.25Å; I177-K181 PolarHBondContact O-N 2.68Å
178E77.6Confident73.8Confident116 Ų116105.6 Ų105.654%0.54253%0.529SS..Hα-helixtrans-67.2-44.2178.4-76.546.1-11100112.2E176 I180 K181 Q182E176-E178 PolarHBondContact O-N 2.87Å; E176-E178 VanDerWaalsContact O-N 3.11Å; E178-I180 VanDerWaalsContact C-N 3.35Å; E178-K181 PolarHBondContact O-N 3.29Å; E178-K181 IonicContact OE1-NZ 3.27Å; E178-K181 PolarHBondContact OE1-NZ 2.99Å; E178-Q182 WeakPolarHBondContact O-CB 3.13Å; E178-Q182 PolarHBondContact O-N 2.98Å
179V75.1Confident73.3Confident58 Ų58103.6 Ų103.635%0.35252%0.521SS..Hα-helixtrans-64.1-42.9174.9177.60000110.2E176 Q182 Q183E176-V179 HydrophobicContact CB-CB 4.11Å; E176-V179 HydrophobicContact CB-CG2 3.87Å; E176-V179 PolarHBondContact O-N 3.02Å; E176-V179 VanDerWaalsContact OE2-CG2 3.28Å; E176-V179 WeakPolarHBondContact OE2-CG2 3.17Å; V179-Q182 PolarHBondContact O-N 2.86Å; V179-Q182 VanDerWaalsContact O-N 3.14Å; V179-Q183 WeakPolarHBondContact O-CG 3.36Å; V179-Q183 PolarHBondContact O-N 3.2Å
180I74.3Confident73.2Confident42 Ų42102.7 Ų102.722%0.21552%0.519CS..Hα-helixtrans-63.3-48.9177.6-63.3162.7000110.6F175 E176 I177 E178 Q182 Q183 L184F175-I180 HydrophobicContact CB-CD1 3.71Å; F175-I180 HydrophobicContact CD1-CD1 3.71Å; F175-I180 HydrophobicContact CG-CD1 4.17Å; E176-I180 WeakPolarHBondContact O-CG1 3.35Å; E176-I180 PolarHBondContact O-N 3.47Å; I177-I180 PolarHBondContact O-N 3.47Å; E178-I180 VanDerWaalsContact C-N 3.35Å; I180-Q182 PolarHBondContact O-N 2.84Å; I180-Q183 PolarHBondContact O-N 3.35Å; I180-L184 HydrophobicContact CG2-CD1 3.79Å; I180-L184 HydrophobicContact CG2-CG 4.19Å; I180-L184 WeakPolarHBondContact O-CB 3.31Å; I180-L184 VanDerWaalsContact O-CG 3.22Å; I180-L184 WeakPolarHBondContact O-CG 3.21Å; I180-L184 PolarHBondContact O-N 2.98Å
181K75.2Confident73.5Confident118 Ų118101 Ų10151%0.51351%0.511SS..Hα-helixtrans-55.2-32.8173-77.3163.2179.1160.60112.5I177 E178I177-K181 HydrophobicContact CG2-CD 4.03Å; I177-K181 VanDerWaalsContact CG2-CE 3.45Å; I177-K181 HydrophobicContact CG2-CG 4.39Å; I177-K181 WeakPolarHBondContact O-CB 3.32Å; I177-K181 WeakPolarHBondContact O-CD 3.49Å; I177-K181 WeakPolarHBondContact O-CG 3.25Å; I177-K181 PolarHBondContact O-N 2.68Å; E178-K181 PolarHBondContact O-N 3.29Å; E178-K181 IonicContact OE1-NZ 3.27Å; E178-K181 PolarHBondContact OE1-NZ 2.99Å
182Q76.6Confident74Confident137 Ų13796.6 Ų96.664%0.6450%0.496SS*.Hα-helixtrans-80.2-37.2-179.1-165.9157.7-2.100112.3E178 V179 I180E178-Q182 WeakPolarHBondContact O-CB 3.13Å; E178-Q182 PolarHBondContact O-N 2.98Å; V179-Q182 PolarHBondContact O-N 2.86Å; V179-Q182 VanDerWaalsContact O-N 3.14Å; I180-Q182 PolarHBondContact O-N 2.84Å
183Q70.4Confident75Confident86 Ų8692.8 Ų92.840%0.40247%0.47SS..Hα-helixtrans-71.2-37.1173-69.7177.44.500112.7V179 I180 K185 D186 H189 I193V179-Q183 WeakPolarHBondContact O-CG 3.36Å; V179-Q183 PolarHBondContact O-N 3.2Å; I180-Q183 PolarHBondContact O-N 3.35Å; Q183-K185 PolarHBondContact O-N 3.25Å; Q183-D186 PolarHBondContact O-N 3.41Å; Q183-D186 VanDerWaalsContact O-N 3.14Å; Q183-H189 HydrophobicContact CB-CB 4.35Å; Q183-H189 VanDerWaalsContact O-CB 3.32Å; Q183-H189 WeakPolarHBondContact O-CB 3.4Å; Q183-I193 HydrophobicContact CB-CD1 3.91Å
184L76.2Confident76.3Confident90 Ų9095.9 Ų95.947%0.47148%0.479SS..THydrogen-bonded Turntrans-61.9-5.2177.3-75.5173000114.8I180 D186 I193I180-L184 HydrophobicContact CG2-CD1 3.79Å; I180-L184 HydrophobicContact CG2-CG 4.19Å; I180-L184 WeakPolarHBondContact O-CB 3.31Å; I180-L184 VanDerWaalsContact O-CG 3.22Å; I180-L184 WeakPolarHBondContact O-CG 3.21Å; I180-L184 PolarHBondContact O-N 2.98Å; L184-D186 VanDerWaalsContact C-N 3.28Å; L184-I193 HydrophobicContact CD2-CD1 4.18Å; L184-I193 HydrophobicContact CG-CD1 4.28Å
185K78.5Confident77.7Confident173 Ų17395.2 Ų95.275%0.75246%0.464SS*.THydrogen-bonded Turntrans-71-22.2172.7-65.2179.3-179.2177.50113.1Q183Q183-K185 PolarHBondContact O-N 3.25Å
186D79.3Confident78.7Confident72 Ų7293.5 Ų93.539%0.38546%0.458SS..SBendtrans-107.3134171.8173.128.2000111Q183 L184 S188 H189 S190Q183-D186 PolarHBondContact O-N 3.41Å; Q183-D186 VanDerWaalsContact O-N 3.14Å; L184-D186 VanDerWaalsContact C-N 3.28Å; D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 PolarHBondContact O-N 3.47Å; D186-S188 PolarHBondContact OD1-N 2.65Å; D186-S188 WeakPolarHBondContact OD2-CB 3.3Å; D186-S188 PolarHBondContact OD2-OG 2.69Å; D186-H189 HydrophobicContact CB-CB 4.35Å; D186-H189 PolarHBondContact O-N 3.43Å; D186-H189 IonicContact OD2-CE1 2.61Å; D186-H189 IonicContact OD2-CG 3.61Å; D186-H189 IonicContact OD2-ND1 3.83Å; D186-H189 PolarHBondContact OD2-ND1 3.45Å; D186-S190 PolarHBondContact O-N 3.12Å
187K79.1Confident79.3Confident184 Ų18490.4 Ų90.480%0.845%0.448SS*.Hα-helixtrans-71.8-18.5-179.6-166.4162.8-175.9170.20113.2S190K187-S190 WeakPolarHBondContact CA-OG 3.37Å; K187-S190 PolarHBondContact O-OG 3.24Å
188S80.7Confident80.1Confident67 Ų6791.5 Ų91.547%0.46945%0.451SS..Hα-helixtrans-74.2-44.2169.789.50000111.3D186 G191 N192D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 PolarHBondContact O-N 3.47Å; D186-S188 PolarHBondContact OD1-N 2.65Å; D186-S188 WeakPolarHBondContact OD2-CB 3.3Å; D186-S188 PolarHBondContact OD2-OG 2.69Å; S188-G191 PolarHBondContact O-N 3.32Å; S188-N192 PolarHBondContact O-N 3.31Å
189H78.1Confident80.6Confident87 Ų8791.3 Ų91.340%0.40345%0.445SS..Hα-helixtrans-66.5-40.2178.2-74.678.9000112.2Q183 D186 G191 N192 I193Q183-H189 HydrophobicContact CB-CB 4.35Å; Q183-H189 VanDerWaalsContact O-CB 3.32Å; Q183-H189 WeakPolarHBondContact O-CB 3.4Å; D186-H189 HydrophobicContact CB-CB 4.35Å; D186-H189 PolarHBondContact O-N 3.43Å; D186-H189 IonicContact OD2-CE1 2.61Å; D186-H189 IonicContact OD2-CG 3.61Å; D186-H189 IonicContact OD2-ND1 3.83Å; D186-H189 PolarHBondContact OD2-ND1 3.45Å; H189-G191 VanDerWaalsContact C-N 3.32Å; H189-G191 PolarHBondContact O-N 2.9Å; H189-N192 PolarHBondContact O-N 3.23Å; H189-I193 WeakPolarHBondContact O-CG1 3.29Å; H189-I193 PolarHBondContact O-N 2.91Å
190S81.6Confident81.1Confident34 Ų3489.2 Ų89.224%0.23843%0.433CS..Hα-helixtrans-58.1-42.5176.969.70000112.8D186 K187 N192 I193 E194D186-S190 PolarHBondContact O-N 3.12Å; K187-S190 WeakPolarHBondContact CA-OG 3.37Å; K187-S190 PolarHBondContact O-OG 3.24Å; S190-N192 VanDerWaalsContact C-N 3.26Å; S190-N192 PolarHBondContact O-N 3.48Å; S190-I193 PolarHBondContact O-N 3.46Å; S190-E194 WeakPolarHBondContact O-CB 3.37Å; S190-E194 PolarHBondContact O-N 3.38Å
191G83.5Confident81.8Confident15 Ų1590.6 Ų90.616%0.15544%0.443CS..Hα-helixtrans-73.4-12.217800000114.6S188 H189 K195S188-G191 PolarHBondContact O-N 3.32Å; H189-G191 VanDerWaalsContact C-N 3.32Å; H189-G191 PolarHBondContact O-N 2.9Å; G191-K195 VanDerWaalsContact O-CD 3.25Å; G191-K195 WeakPolarHBondContact O-CD 3.43Å; G191-K195 WeakPolarHBondContact O-CE 3.34Å; G191-K195 VanDerWaalsContact O-CG 3.27Å; G191-K195 WeakPolarHBondContact O-CG 3.26Å
192N83.7Confident82.6Confident93 Ų9387.7 Ų87.750%0.49744%0.441SS..Hα-helixtrans-86.5-40.6170.1-69.7-23.7000110.9S188 H189 S190 E194 K195 E196S188-N192 PolarHBondContact O-N 3.31Å; H189-N192 PolarHBondContact O-N 3.23Å; S190-N192 VanDerWaalsContact C-N 3.26Å; S190-N192 PolarHBondContact O-N 3.48Å; N192-E194 VanDerWaalsContact C-N 3.34Å; N192-K195 PolarHBondContact O-N 2.95Å; N192-E196 PolarHBondContact O-N 3.33Å
193I80.8Confident83.3Confident36 Ų3684.5 Ų84.519%0.18543%0.425CS..Hα-helixtrans-61.9-43.3173.4-63.6163.3000110.4Q183 L184 H189 S190 K195 E196 V197Q183-I193 HydrophobicContact CB-CD1 3.91Å; L184-I193 HydrophobicContact CD2-CD1 4.18Å; L184-I193 HydrophobicContact CG-CD1 4.28Å; H189-I193 WeakPolarHBondContact O-CG1 3.29Å; H189-I193 PolarHBondContact O-N 2.91Å; S190-I193 PolarHBondContact O-N 3.46Å; I193-K195 PolarHBondContact O-N 2.93Å; I193-E196 WeakPolarHBondContact O-CB 3.3Å; I193-E196 PolarHBondContact O-N 3.41Å; I193-E196 VanDerWaalsContact O-N 3.17Å; I193-V197 WeakPolarHBondContact O-CG2 3.34Å; I193-V197 PolarHBondContact O-N 2.91Å
194E84.9Confident84.3Confident125 Ų12584.3 Ų84.358%0.58443%0.426SS*.Hα-helixtrans-54.8-51.9175.3-173.8169.3-145.100111.4S190 N192 E196 V197 E198S190-E194 WeakPolarHBondContact O-CB 3.37Å; S190-E194 PolarHBondContact O-N 3.38Å; N192-E194 VanDerWaalsContact C-N 3.34Å; E194-E196 VanDerWaalsContact C-N 3.3Å; E194-E196 PolarHBondContact O-N 3.49Å; E194-V197 PolarHBondContact O-N 2.99Å; E194-E198 WeakPolarHBondContact O-CG 3.4Å; E194-E198 PolarHBondContact O-N 3.5Å
195K87.6Confident85.1Confident118 Ų11884.6 Ų84.651%0.51343%0.428SS..Hα-helixtrans-64.2-30.4176.6-69.3168.4-167.8163.50113.8G191 N192 I193 R199G191-K195 VanDerWaalsContact O-CD 3.25Å; G191-K195 WeakPolarHBondContact O-CD 3.43Å; G191-K195 WeakPolarHBondContact O-CE 3.34Å; G191-K195 VanDerWaalsContact O-CG 3.27Å; G191-K195 WeakPolarHBondContact O-CG 3.26Å; N192-K195 PolarHBondContact O-N 2.95Å; I193-K195 PolarHBondContact O-N 2.93Å; K195-R199 WeakPolarHBondContact O-CB 3.17Å; K195-R199 PolarHBondContact O-N 3.18Å
196E83.8Confident85.9Confident84 Ų8478.5 Ų78.539%0.39341%0.41SS..Hα-helixtrans-68.9-45.7175.1-165.459.5-117.800110.7N192 I193 E194 R199 C200N192-E196 PolarHBondContact O-N 3.33Å; I193-E196 WeakPolarHBondContact O-CB 3.3Å; I193-E196 PolarHBondContact O-N 3.41Å; I193-E196 VanDerWaalsContact O-N 3.17Å; E194-E196 VanDerWaalsContact C-N 3.3Å; E194-E196 PolarHBondContact O-N 3.49Å; E196-R199 PolarHBondContact O-N 3.16Å; E196-R199 IonicContact OE1-CZ 2.65Å; E196-R199 IonicContact OE1-NH1 3.89Å; E196-R199 PolarHBondContact OE1-NH1 2.87Å; E196-R199 IonicContact OE2-CZ 3.63Å; E196-R199 IonicContact OE2-NH1 3.83Å; E196-R199 PolarHBondContact OE2-NH1 3.15Å; E196-R199 IonicContact OE2-NH2 2.76Å; E196-C200 PolarHBondContact O-N 3.43Å; E196-C200 PolarHBondContact O-SG 3.04Å
197V84.8Confident86.6Confident63 Ų6377.2 Ų77.238%0.38240%0.4SS..Hα-helixtrans-64-44.6175.8173.60000110.9I193 E194 R199 C200 V201I193-V197 WeakPolarHBondContact O-CG2 3.34Å; I193-V197 PolarHBondContact O-N 2.91Å; E194-V197 PolarHBondContact O-N 2.99Å; V197-R199 VanDerWaalsContact C-N 3.29Å; V197-R199 PolarHBondContact O-N 3.33Å; V197-C200 PolarHBondContact O-N 2.98Å; V197-V201 HydrophobicContact CG1-CG2 4.4Å; V197-V201 WeakPolarHBondContact O-CB 3.49Å; V197-V201 VanDerWaalsContact O-CG2 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 3.37Å
198E90.1Very high87.4Confident124 Ų12472 Ų7258%0.57938%0.381SS*.Hα-helixtrans-56.4-42.3173.1-74.4-176141.800112E194 V201 A202E194-E198 WeakPolarHBondContact O-CG 3.4Å; E194-E198 PolarHBondContact O-N 3.5Å; E198-V201 PolarHBondContact O-N 3Å; E198-A202 WeakPolarHBondContact O-CB 3.32Å; E198-A202 PolarHBondContact O-N 2.93Å
199R88.2Confident88.1Confident111 Ų11175.4 Ų75.442%0.41939%0.387SS..Hα-helixtrans-69.4-42.2178.7-159.1-171.3-50.51168112.2K195 E196 V197 V201 A202 F203K195-R199 WeakPolarHBondContact O-CB 3.17Å; K195-R199 PolarHBondContact O-N 3.18Å; E196-R199 PolarHBondContact O-N 3.16Å; E196-R199 IonicContact OE1-CZ 2.65Å; E196-R199 IonicContact OE1-NH1 3.89Å; E196-R199 PolarHBondContact OE1-NH1 2.87Å; E196-R199 IonicContact OE2-CZ 3.63Å; E196-R199 IonicContact OE2-NH1 3.83Å; E196-R199 PolarHBondContact OE2-NH1 3.15Å; E196-R199 IonicContact OE2-NH2 2.76Å; V197-R199 VanDerWaalsContact C-N 3.29Å; V197-R199 PolarHBondContact O-N 3.33Å; R199-V201 VanDerWaalsContact C-N 3.35Å; R199-A202 PolarHBondContact O-N 2.86Å; R199-F203 HydrophobicContact CG-CD2 4.08Å; R199-F203 HydrophobicContact CG-CE2 3.59Å; R199-F203 HydrophobicContact CG-CZ 4.1Å; R199-F203 WeakPolarHBondContact O-CD2 3.48Å; R199-F203 WeakPolarHBondContact O-CG 3.45Å; R199-F203 PolarHBondContact O-N 3.17Å
200C86.4Confident89Confident14 Ų1472.7 Ų72.710%0.09538%0.376CS..Hα-helixtrans-58.3-47.6173-68.30000111.1E196 V197 A202 F203 I204E196-C200 PolarHBondContact O-N 3.43Å; E196-C200 PolarHBondContact O-SG 3.04Å; V197-C200 PolarHBondContact O-N 2.98Å; C200-A202 VanDerWaalsContact C-N 3.34Å; C200-A202 PolarHBondContact O-N 3.21Å; C200-F203 PolarHBondContact O-N 3.04Å; C200-I204 WeakPolarHBondContact O-CB 3.49Å; C200-I204 VanDerWaalsContact O-CG1 3.29Å; C200-I204 WeakPolarHBondContact O-CG1 3.36Å; C200-I204 PolarHBondContact O-N 3.24Å
201V89.7Confident89.7Confident72 Ų7273.4 Ų73.444%0.43638%0.377SS..Hα-helixtrans-62.2-39.9176.3169.20000111.4V197 E198 R199 N205V197-V201 HydrophobicContact CG1-CG2 4.4Å; V197-V201 WeakPolarHBondContact O-CB 3.49Å; V197-V201 VanDerWaalsContact O-CG2 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 3.37Å; E198-V201 PolarHBondContact O-N 3Å; R199-V201 VanDerWaalsContact C-N 3.35Å; V201-N205 WeakPolarHBondContact CG1-ND2 3.48Å; V201-N205 VanDerWaalsContact O-CB 3.28Å; V201-N205 WeakPolarHBondContact O-CB 3.21Å; V201-N205 VanDerWaalsContact O-CG 3.23Å; V201-N205 PolarHBondContact O-N 2.9Å; V201-N205 PolarHBondContact O-ND2 3.45Å; V201-N205 VanDerWaalsContact O-ND2 3.11Å
202A91.3Very high90.4Very high56 Ų5678.7 Ų78.746%0.46340%0.397SS..Hα-helixtrans-63.8-43.9175.500000112.6E198 R199 C200 N205 A206E198-A202 WeakPolarHBondContact O-CB 3.32Å; E198-A202 PolarHBondContact O-N 2.93Å; R199-A202 PolarHBondContact O-N 2.86Å; C200-A202 VanDerWaalsContact C-N 3.34Å; C200-A202 PolarHBondContact O-N 3.21Å; A202-N205 PolarHBondContact O-N 3.04Å; A202-A206 WeakPolarHBondContact O-CB 3.27Å; A202-A206 PolarHBondContact O-N 2.95Å
203F91.1Very high91Very high71 Ų7177.8 Ų77.831%0.31139%0.392SS..Hα-helixtrans-64.2-45.9175.7-70.3-50.6000112.2K168 L169 P170 R199 C200 N205 A206 Y207K168-F203 HydrophobicContact CB-CD1 4.36Å; K168-F203 HydrophobicContact CB-CE1 4.39Å; L169-F203 HydrophobicContact CD2-CB 4.2Å; P170-F203 HydrophobicContact CG-CD2 3.86Å; P170-F203 HydrophobicContact CG-CE2 4.3Å; R199-F203 HydrophobicContact CG-CD2 4.08Å; R199-F203 HydrophobicContact CG-CE2 3.59Å; R199-F203 HydrophobicContact CG-CZ 4.1Å; R199-F203 WeakPolarHBondContact O-CD2 3.48Å; R199-F203 WeakPolarHBondContact O-CG 3.45Å; R199-F203 PolarHBondContact O-N 3.17Å; C200-F203 PolarHBondContact O-N 3.04Å; F203-N205 PolarHBondContact O-N 3.23Å; F203-A206 PolarHBondContact O-N 3.3Å; F203-Y207 PolarHBondContact O-N 2.88Å
204I91.5Very high91.8Very high81 Ų8176.5 Ų76.542%0.41539%0.385SS..Hα-helixtrans-61-43.8177.5-69.2165000110.9L169 C200 Y207 N208L169-I204 HydrophobicContact CD2-CG1 3.95Å; C200-I204 WeakPolarHBondContact O-CB 3.49Å; C200-I204 VanDerWaalsContact O-CG1 3.29Å; C200-I204 WeakPolarHBondContact O-CG1 3.36Å; C200-I204 PolarHBondContact O-N 3.24Å; I204-Y207 PolarHBondContact O-N 2.89Å; I204-N208 WeakPolarHBondContact O-CB 3.49Å; I204-N208 VanDerWaalsContact O-CG 3.31Å; I204-N208 PolarHBondContact O-N 3.01Å; I204-N208 PolarHBondContact O-ND2 3.01Å
205N93.5Very high92.4Very high97 Ų9773.2 Ų73.252%0.51937%0.371SS..Hα-helixtrans-66.5-35.8176.9-75.2-32000112.8V201 A202 F203 K209V201-N205 WeakPolarHBondContact CG1-ND2 3.48Å; V201-N205 VanDerWaalsContact O-CB 3.28Å; V201-N205 WeakPolarHBondContact O-CB 3.21Å; V201-N205 VanDerWaalsContact O-CG 3.23Å; V201-N205 PolarHBondContact O-N 2.9Å; V201-N205 PolarHBondContact O-ND2 3.45Å; V201-N205 VanDerWaalsContact O-ND2 3.11Å; A202-N205 PolarHBondContact O-N 3.04Å; F203-N205 PolarHBondContact O-N 3.23Å; N205-K209 WeakPolarHBondContact O-CB 3.43Å; N205-K209 PolarHBondContact O-N 3.16Å
206A93.6Very high92.8Very high44 Ų4475.2 Ų75.236%0.36438%0.38SS..Hα-helixtrans-66.8-46.7174.600000111.8A202 F203 K209 N210A202-A206 WeakPolarHBondContact O-CB 3.27Å; A202-A206 PolarHBondContact O-N 2.95Å; F203-A206 PolarHBondContact O-N 3.3Å; A206-K209 PolarHBondContact O-N 3.28Å; A206-N210 VanDerWaalsContact O-CG 3.24Å; A206-N210 PolarHBondContact O-N 2.89Å; A206-N210 PolarHBondContact O-OD1 3.11Å
207Y95.1Very high93.5Very high45 Ų4571.5 Ų71.518%0.17636%0.364CS..Hα-helixtrans-59.4-50.2175.1171.6-107.3000112T162 S165 M166 L169 F203 I204 K209 N210 L211T162-Y207 HydrophobicContact CG2-CD2 4.14Å; T162-Y207 HydrophobicContact CG2-CE2 3.58Å; S165-Y207 WeakPolarHBondContact OG-CA 3.48Å; M166-Y207 HydrophobicContact CB-CD2 3.87Å; M166-Y207 HydrophobicContact CB-CE2 3.61Å; M166-Y207 HydrophobicContact CE-CE2 4.01Å; M166-Y207 HydrophobicContact CG-CD2 4.26Å; M166-Y207 HydrophobicContact CG-CE2 3.69Å; L169-Y207 HydrophobicContact CD1-CD1 3.96Å; L169-Y207 HydrophobicContact CD1-CD2 4.47Å; L169-Y207 HydrophobicContact CD1-CE1 4.36Å; L169-Y207 HydrophobicContact CD1-CG 4.01Å; L169-Y207 HydrophobicContact CD2-CG 4.41Å; L169-Y207 HydrophobicContact CG-CG 4.48Å; F203-Y207 PolarHBondContact O-N 2.88Å; I204-Y207 PolarHBondContact O-N 2.89Å; Y207-K209 VanDerWaalsContact C-N 3.27Å; Y207-K209 PolarHBondContact O-N 3.4Å; Y207-N210 PolarHBondContact O-N 2.89Å; Y207-N210 VanDerWaalsContact O-N 3.12Å; Y207-L211 HydrophobicContact CE1-CD2 4.13Å; Y207-L211 WeakPolarHBondContact O-CB 3.32Å; Y207-L211 PolarHBondContact O-N 3.31Å
208N95.4Very high94.1Very high74 Ų7474.8 Ų74.840%0.39637%0.369SS..Hα-helixtrans-57.8-38.7177-77.5-30.9000112.4I204 Q212I204-N208 WeakPolarHBondContact O-CB 3.49Å; I204-N208 VanDerWaalsContact O-CG 3.31Å; I204-N208 PolarHBondContact O-N 3.01Å; I204-N208 PolarHBondContact O-ND2 3.01Å; N208-Q212 WeakPolarHBondContact O-CB 3.44Å; N208-Q212 WeakPolarHBondContact O-CG 3.38Å; N208-Q212 PolarHBondContact O-N 2.95Å
209K96.6Very high94.4Very high140 Ų14075.6 Ų75.661%0.60937%0.371SS*.Hα-helixtrans-65.9-43.6176.1-176.8-174.7174.5-170.50112.1N205 A206 Y207 Q212 N213N205-K209 WeakPolarHBondContact O-CB 3.43Å; N205-K209 PolarHBondContact O-N 3.16Å; A206-K209 PolarHBondContact O-N 3.28Å; Y207-K209 VanDerWaalsContact C-N 3.27Å; Y207-K209 PolarHBondContact O-N 3.4Å; K209-Q212 PolarHBondContact O-N 2.99Å; K209-N213 PolarHBondContact O-N 2.75Å; K209-N213 VanDerWaalsContact O-N 3.11Å
210N96.3Very high94.6Very high30 Ų3072.2 Ų72.216%0.1637%0.366CS..Hα-helixtrans-63.9-49.9178.8-64.9-3.6000110.5I161 S165 A206 Y207 Q212 N213 E214I161-N210 HydrophobicContact CG2-CB 4.22Å; I161-N210 VanDerWaalsContact CG2-ND2 3.3Å; I161-N210 WeakPolarHBondContact CG2-ND2 3.49Å; I161-N210 PolarHBondContact O-ND2 3.31Å; S165-N210 WeakPolarHBondContact CB-ND2 2.85Å; S165-N210 PolarHBondContact OG-ND2 3.49Å; A206-N210 VanDerWaalsContact O-CG 3.24Å; A206-N210 PolarHBondContact O-N 2.89Å; A206-N210 PolarHBondContact O-OD1 3.11Å; Y207-N210 PolarHBondContact O-N 2.89Å; Y207-N210 VanDerWaalsContact O-N 3.12Å; N210-Q212 VanDerWaalsContact C-N 3.31Å; N210-Q212 PolarHBondContact O-N 3.23Å; N210-N213 WeakPolarHBondContact O-CB 3.49Å; N210-N213 PolarHBondContact O-N 2.94Å; N210-N213 VanDerWaalsContact O-N 3.07Å; N210-E214 PolarHBondContact O-N 2.71Å
211L97Very high95.1Very high49 Ų4972.3 Ų72.326%0.25737%0.366SS..Hα-helixtrans-57.8-39.4177.5-17863.9000112.5T162 Y207 E214 I215T162-L211 HydrophobicContact CG2-CB 4.21Å; T162-L211 HydrophobicContact CG2-CD1 4.13Å; Y207-L211 HydrophobicContact CE1-CD2 4.13Å; Y207-L211 WeakPolarHBondContact O-CB 3.32Å; Y207-L211 PolarHBondContact O-N 3.31Å; L211-E214 PolarHBondContact O-N 3.35Å; L211-I215 HydrophobicContact CD1-CD1 4.11Å; L211-I215 HydrophobicContact CD1-CG1 4.38Å; L211-I215 HydrophobicContact CG-CD1 3.9Å; L211-I215 WeakPolarHBondContact O-CB 3.48Å; L211-I215 WeakPolarHBondContact O-CD1 3.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.27Å
212Q97.8Very high95.4Very high126 Ų12674.1 Ų74.159%0.58937%0.373SS*.Hα-helixtrans-67.9-38.3175.4-72.8-69.6-23.700113N208 K209 N210 K216N208-Q212 WeakPolarHBondContact O-CB 3.44Å; N208-Q212 WeakPolarHBondContact O-CG 3.38Å; N208-Q212 PolarHBondContact O-N 2.95Å; K209-Q212 PolarHBondContact O-N 2.99Å; N210-Q212 VanDerWaalsContact C-N 3.31Å; N210-Q212 PolarHBondContact O-N 3.23Å; Q212-K216 WeakPolarHBondContact O-CB 3.36Å; Q212-K216 PolarHBondContact O-N 2.58Å; Q212-K216 VanDerWaalsContact O-N 3.11Å
213N95.9Very high95.4Very high73 Ų7374.3 Ų74.339%0.3938%0.375SS..Hα-helixtrans-64.6-44.1173.3-73.7-13.2000111.2L158 K209 N210 K216 S217L158-N213 HydrophobicContact CD2-CB 4.02Å; K209-N213 PolarHBondContact O-N 2.75Å; K209-N213 VanDerWaalsContact O-N 3.11Å; N210-N213 WeakPolarHBondContact O-CB 3.49Å; N210-N213 PolarHBondContact O-N 2.94Å; N210-N213 VanDerWaalsContact O-N 3.07Å; N213-K216 WeakPolarHBondContact O-CB 3.23Å; N213-K216 PolarHBondContact O-N 2.96Å; N213-S217 PolarHBondContact O-N 3.26Å
214E97.6Very high95.4Very high9 Ų971.8 Ų71.84%0.04237%0.366CS..Hα-helixtrans-64.1-46.2178.5-168-161.8152.900112L158 A159 T162 N210 L211 K216 S217 R218L158-E214 HydrophobicContact CB-CB 4.1Å; L158-E214 HydrophobicContact CB-CG 4.12Å; A159-E214 HydrophobicContact CB-CG 4.38Å; T162-E214 WeakPolarHBondContact CB-OE2 3.49Å; T162-E214 WeakPolarHBondContact CG2-OE2 3.29Å; T162-E214 PolarHBondContact OG1-OE2 3.44Å; N210-E214 PolarHBondContact O-N 2.71Å; L211-E214 PolarHBondContact O-N 3.35Å; E214-K216 PolarHBondContact O-N 3.15Å; E214-S217 PolarHBondContact O-N 3.34Å; E214-S217 VanDerWaalsContact O-N 3.07Å; E214-R218 HydrophobicContact CG-CG 4.49Å; E214-R218 WeakPolarHBondContact O-CB 3.5Å; E214-R218 WeakPolarHBondContact O-CG 3.26Å; E214-R218 PolarHBondContact O-N 3.23Å; E214-R218 IonicContact OE1-CZ 2.67Å; E214-R218 IonicContact OE1-NE 3.61Å; E214-R218 PolarHBondContact OE1-NE 3.34Å; E214-R218 IonicContact OE1-NH2 3.69Å; E214-R218 PolarHBondContact OE1-NH2 3.19Å
215I97.3Very high95.6Very high56 Ų5671.9 Ų71.929%0.28737%0.366SS..Hα-helixtrans-57.7-36.8174-73166.5000111.1L211 K219L211-I215 HydrophobicContact CD1-CD1 4.11Å; L211-I215 HydrophobicContact CD1-CG1 4.38Å; L211-I215 HydrophobicContact CG-CD1 3.9Å; L211-I215 WeakPolarHBondContact O-CB 3.48Å; L211-I215 WeakPolarHBondContact O-CD1 3.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.27Å; I215-K219 HydrophobicContact CG2-CD 4.27Å; I215-K219 WeakPolarHBondContact O-CB 3.08Å; I215-K219 WeakPolarHBondContact O-CD 3.42Å; I215-K219 VanDerWaalsContact O-CG 3.26Å; I215-K219 WeakPolarHBondContact O-CG 3.37Å; I215-K219 PolarHBondContact O-N 3.14Å
216K97Very high95.5Very high160 Ų16072.7 Ų72.770%0.69637%0.367SS*.Hα-helixtrans-67.7-42.8174.8-174.8-169.4173.1-162.70111.7Q212 N213 E214 K219 A220Q212-K216 WeakPolarHBondContact O-CB 3.36Å; Q212-K216 PolarHBondContact O-N 2.58Å; Q212-K216 VanDerWaalsContact O-N 3.11Å; N213-K216 WeakPolarHBondContact O-CB 3.23Å; N213-K216 PolarHBondContact O-N 2.96Å; E214-K216 PolarHBondContact O-N 3.15Å; K216-K219 PolarHBondContact O-N 3.33Å; K216-A220 PolarHBondContact O-N 3.5Å; K216-A220 VanDerWaalsContact O-N 3.15Å
217S97.2Very high95.3Very high7 Ų772.1 Ų72.15%0.04936%0.362CS..Hα-helixtrans-67.9-47.6177.8-175.60000112.2C155 N213 E214 K219 A220 V221C155-S217 WeakPolarHBondContact CA-OG 3.42Å; C155-S217 WeakPolarHBondContact CB-OG 3.19Å; C155-S217 PolarHBondContact N-OG 2.86Å; N213-S217 PolarHBondContact O-N 3.26Å; E214-S217 PolarHBondContact O-N 3.34Å; E214-S217 VanDerWaalsContact O-N 3.07Å; S217-K219 PolarHBondContact O-N 3.16Å; S217-A220 WeakPolarHBondContact O-CA 3.42Å; S217-A220 WeakPolarHBondContact O-CB 3.49Å; S217-A220 PolarHBondContact O-N 3.33Å; S217-V221 PolarHBondContact O-N 2.94Å
218R97.7Very high95.2Very high132 Ų13270.5 Ų70.550%0.49836%0.358SS..Hα-helixtrans-50.9-41.7172.2-73.7-179.7-178.4-1217.8111.9C155 E214 L222C155-R218 WeakPolarHBondContact SG-CG 3.38Å; E214-R218 HydrophobicContact CG-CG 4.49Å; E214-R218 WeakPolarHBondContact O-CB 3.5Å; E214-R218 WeakPolarHBondContact O-CG 3.26Å; E214-R218 PolarHBondContact O-N 3.23Å; E214-R218 IonicContact OE1-CZ 2.67Å; E214-R218 IonicContact OE1-NE 3.61Å; E214-R218 PolarHBondContact OE1-NE 3.34Å; E214-R218 IonicContact OE1-NH2 3.69Å; E214-R218 PolarHBondContact OE1-NH2 3.19Å; R218-L222 VanDerWaalsContact O-CG 3.31Å; R218-L222 WeakPolarHBondContact O-CG 3.04Å; R218-L222 PolarHBondContact O-N 3.26Å
219K96.7Very high95Very high141 Ų14173.4 Ų73.461%0.61337%0.367SS*.Hα-helixtrans-67.4-36.3175.8-76.2172-179.61770113.5I215 K216 S217 A223I215-K219 HydrophobicContact CG2-CD 4.27Å; I215-K219 WeakPolarHBondContact O-CB 3.08Å; I215-K219 WeakPolarHBondContact O-CD 3.42Å; I215-K219 VanDerWaalsContact O-CG 3.26Å; I215-K219 WeakPolarHBondContact O-CG 3.37Å; I215-K219 PolarHBondContact O-N 3.14Å; K216-K219 PolarHBondContact O-N 3.33Å; S217-K219 PolarHBondContact O-N 3.16Å; K219-A223 PolarHBondContact O-N 3.46Å; K219-A223 VanDerWaalsContact O-N 3.17Å
220A92.9Very high94.6Very high39 Ų3972.8 Ų72.832%0.32236%0.364SS..Hα-helixtrans-68.4-43.7174.700000111.7K216 S217 L222 A223 S224K216-A220 PolarHBondContact O-N 3.5Å; K216-A220 VanDerWaalsContact O-N 3.15Å; S217-A220 WeakPolarHBondContact O-CA 3.42Å; S217-A220 WeakPolarHBondContact O-CB 3.49Å; S217-A220 PolarHBondContact O-N 3.33Å; A220-L222 PolarHBondContact O-N 2.95Å; A220-A223 PolarHBondContact O-N 2.66Å; A220-S224 WeakPolarHBondContact O-CB 3.09Å; A220-S224 PolarHBondContact O-N 3.26Å
221V96.2Very high94.3Very high16 Ų1672.3 Ų72.310%0.09736%0.361CS..Hα-helixtrans-57.6-48.3173.7172.20000111.1Q151 V152 C155 S217 A223 S224 I225Q151-V221 HydrophobicContact CB-CG2 3.8Å; Q151-V221 WeakPolarHBondContact O-CG2 3.5Å; V152-V221 HydrophobicContact CG2-CG1 3.85Å; V152-V221 HydrophobicContact CG2-CG2 4.34Å; C155-V221 HydrophobicContact CB-CG2 3.89Å; S217-V221 PolarHBondContact O-N 2.94Å; V221-A223 PolarHBondContact O-N 3.25Å; V221-S224 WeakPolarHBondContact O-CB 3.1Å; V221-S224 PolarHBondContact O-N 3.24Å; V221-S224 VanDerWaalsContact O-N 3.16Å; V221-I225 HydrophobicContact CG1-CD1 3.69Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.43Å; V221-I225 PolarHBondContact O-N 3.26Å
222L95.4Very high94Very high110 Ų11075.1 Ų75.158%0.57637%0.369SS*.Hα-helixtrans-58.7-45.2178-75168.7000112.6R218 A220 S224 I225 E226R218-L222 VanDerWaalsContact O-CG 3.31Å; R218-L222 WeakPolarHBondContact O-CG 3.04Å; R218-L222 PolarHBondContact O-N 3.26Å; A220-L222 PolarHBondContact O-N 2.95Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 3.4Å; L222-I225 PolarHBondContact O-N 3.35Å; L222-E226 PolarHBondContact O-N 2.99Å
223A91.6Very high93.6Very high61 Ų6173.5 Ų73.550%0.50436%0.361SS..Hα-helixtrans-63.3-35.8176.800000112.6K219 A220 V221 E226 A227K219-A223 PolarHBondContact O-N 3.46Å; K219-A223 VanDerWaalsContact O-N 3.17Å; A220-A223 PolarHBondContact O-N 2.66Å; V221-A223 PolarHBondContact O-N 3.25Å; A223-E226 WeakPolarHBondContact O-CB 3.22Å; A223-E226 PolarHBondContact O-N 3.12Å; A223-A227 PolarHBondContact O-N 2.88Å; A223-A227 VanDerWaalsContact O-N 3.09Å
224S91.9Very high93.2Very high17 Ų1771.7 Ų71.712%0.11935%0.35CS..Hα-helixtrans-71-38.9176.6-164.90000112.3Q151 A220 V221 L222 A227 A228Q151-S224 PolarHBondContact OE1-OG 3.31Å; Q151-S224 VanDerWaalsContact OE1-OG 3.11Å; A220-S224 WeakPolarHBondContact O-CB 3.09Å; A220-S224 PolarHBondContact O-N 3.26Å; V221-S224 WeakPolarHBondContact O-CB 3.1Å; V221-S224 PolarHBondContact O-N 3.24Å; V221-S224 VanDerWaalsContact O-N 3.16Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 3.4Å; S224-A227 WeakPolarHBondContact O-CB 3.26Å; S224-A227 PolarHBondContact O-N 3.3Å; S224-A228 WeakPolarHBondContact O-CB 3.27Å; S224-A228 PolarHBondContact O-N 3.34Å
225I94.6Very high92.8Very high84 Ų8475 Ų7543%0.43137%0.366SS..Hα-helixtrans-65.9-37.9172.2-67.5170.9000111.1L148 V221 L222 A227 A228 K229L148-I225 HydrophobicContact CD1-CG1 3.74Å; L148-I225 HydrophobicContact CD2-CG1 4.41Å; V221-I225 HydrophobicContact CG1-CD1 3.69Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.43Å; V221-I225 PolarHBondContact O-N 3.26Å; L222-I225 PolarHBondContact O-N 3.35Å; I225-A227 VanDerWaalsContact C-N 3.32Å; I225-A227 PolarHBondContact O-N 2.89Å; I225-A228 WeakPolarHBondContact O-CB 3.23Å; I225-A228 PolarHBondContact O-N 2.87Å; I225-K229 WeakPolarHBondContact O-CB 3.35Å; I225-K229 PolarHBondContact O-N 3.47Å
226E91.6Very high92.4Very high114 Ų11473.9 Ų73.953%0.53337%0.369SS..Hα-helixtrans-62.3-37.3172.4-92.4-162.8-135.200113L222 A223 K230L222-E226 PolarHBondContact O-N 2.99Å; A223-E226 WeakPolarHBondContact O-CB 3.22Å; A223-E226 PolarHBondContact O-N 3.12Å; E226-K230 WeakPolarHBondContact O-CD 3.45Å; E226-K230 WeakPolarHBondContact O-CE 3.3Å; E226-K230 VanDerWaalsContact O-CG 3.27Å; E226-K230 WeakPolarHBondContact O-CG 3.24Å; E226-K230 PolarHBondContact O-N 3.11Å; E226-K230 IonicContact OE2-NZ 3.64Å; E226-K230 PolarHBondContact OE2-NZ 3.46Å
227A89.4Confident92Very high31 Ų3172 Ų7226%0.25636%0.36SS..Hα-helixtrans-68.3-47.1172.800000110.9F143 A223 S224 I225 K229 K230 F231F143-A227 HydrophobicContact CD2-CB 4.24Å; A223-A227 PolarHBondContact O-N 2.88Å; A223-A227 VanDerWaalsContact O-N 3.09Å; S224-A227 WeakPolarHBondContact O-CB 3.26Å; S224-A227 PolarHBondContact O-N 3.3Å; I225-A227 VanDerWaalsContact C-N 3.32Å; I225-A227 PolarHBondContact O-N 2.89Å; A227-K229 VanDerWaalsContact C-N 3.29Å; A227-K229 PolarHBondContact O-N 3.24Å; A227-K230 PolarHBondContact O-N 2.94Å; A227-K230 VanDerWaalsContact O-N 3.12Å; A227-F231 WeakPolarHBondContact O-CB 3.38Å; A227-F231 PolarHBondContact O-N 3.45Å
228A92.4Very high91.6Very high11 Ų1176.5 Ų76.59%0.09138%0.381CS..Hα-helixtrans-52.8-46.1175.400000112.1F143 L148 S224 I225 F231 Y232F143-A228 HydrophobicContact CD1-CB 4.35Å; F143-A228 HydrophobicContact CD2-CB 3.96Å; F143-A228 HydrophobicContact CE1-CB 3.85Å; F143-A228 HydrophobicContact CE2-CB 3.42Å; F143-A228 VanDerWaalsContact CE2-CB 3.42Å; F143-A228 HydrophobicContact CG-CB 4.4Å; F143-A228 HydrophobicContact CZ-CB 3.36Å; L148-A228 HydrophobicContact CD2-CB 4.31Å; S224-A228 WeakPolarHBondContact O-CB 3.27Å; S224-A228 PolarHBondContact O-N 3.34Å; I225-A228 WeakPolarHBondContact O-CB 3.23Å; I225-A228 PolarHBondContact O-N 2.87Å; A228-F231 PolarHBondContact O-N 3.19Å; A228-Y232 WeakPolarHBondContact O-CD2 3.49Å; A228-Y232 PolarHBondContact O-N 2.74Å
229K91.4Very high91.5Very high136 Ų13674.9 Ų74.959%0.59139%0.385SS*.Hα-helixtrans-60.3-48.3177.6179.4169.2175.7171.40111.6I225 A227 F231 E233I225-K229 WeakPolarHBondContact O-CB 3.35Å; I225-K229 PolarHBondContact O-N 3.47Å; A227-K229 VanDerWaalsContact C-N 3.29Å; A227-K229 PolarHBondContact O-N 3.24Å; K229-F231 VanDerWaalsContact C-N 3.34Å; K229-F231 PolarHBondContact O-N 3.09Å; K229-E233 WeakPolarHBondContact CE-OE1 3.16Å; K229-E233 HydrophobicContact CG-CG 4.39Å; K229-E233 WeakPolarHBondContact CG-OE1 3.39Å; K229-E233 IonicContact NZ-OE1 3.44Å; K229-E233 WeakPolarHBondContact O-CB 3.31Å; K229-E233 VanDerWaalsContact O-CG 3.32Å; K229-E233 WeakPolarHBondContact O-CG 3.36Å; K229-E233 PolarHBondContact O-N 3.47Å
230K88.2Confident91.3Very high126 Ų12675.9 Ų75.955%0.54839%0.389SS..Hα-helixtrans-63.2-39.9179.3-67158.1-163.9156.80111.6E226 A227 H234E226-K230 WeakPolarHBondContact O-CD 3.45Å; E226-K230 WeakPolarHBondContact O-CE 3.3Å; E226-K230 VanDerWaalsContact O-CG 3.27Å; E226-K230 WeakPolarHBondContact O-CG 3.24Å; E226-K230 PolarHBondContact O-N 3.11Å; E226-K230 IonicContact OE2-NZ 3.64Å; E226-K230 PolarHBondContact OE2-NZ 3.46Å; A227-K230 PolarHBondContact O-N 2.94Å; A227-K230 VanDerWaalsContact O-N 3.12Å; K230-H234 PolarHBondContact O-N 3.27Å; K230-H234 VanDerWaalsContact O-N 3.15Å
231F89.7Confident91.3Very high21 Ų2178.9 Ų78.99%0.09240%0.404CS..Hα-helixtrans-62.6-55.4175.8175.4-89.9000112.1V139 F143 A227 A228 K229 E233 H234 Q235V139-F231 HydrophobicContact CG1-CD2 3.78Å; V139-F231 HydrophobicContact CG1-CE2 4.26Å; V139-F231 WeakPolarHBondContact O-CD2 3.31Å; V139-F231 WeakPolarHBondContact O-CE2 3.38Å; F143-F231 HydrophobicContact CB-CB 3.87Å; F143-F231 HydrophobicContact CB-CD2 3.77Å; F143-F231 HydrophobicContact CB-CE2 4.42Å; F143-F231 HydrophobicContact CB-CG 3.83Å; F143-F231 HydrophobicContact CD1-CB 4.18Å; F143-F231 AromaticContact CD1-CD1 3.71Å; F143-F231 HydrophobicContact CD1-CD1 3.71Å; F143-F231 HydrophobicContact CD1-CD2 4.37Å; F143-F231 HydrophobicContact CD1-CE1 4.12Å; F143-F231 AromaticContact CD1-CG 3.85Å; F143-F231 HydrophobicContact CD1-CG 3.85Å; F143-F231 HydrophobicContact CE1-CD1 4.49Å; F143-F231 HydrophobicContact CG-CB 4.22Å; F143-F231 HydrophobicContact CG-CG 4.21Å; A227-F231 WeakPolarHBondContact O-CB 3.38Å; A227-F231 PolarHBondContact O-N 3.45Å; A228-F231 PolarHBondContact O-N 3.19Å; K229-F231 VanDerWaalsContact C-N 3.34Å; K229-F231 PolarHBondContact O-N 3.09Å; F231-E233 PolarHBondContact O-N 3.05Å; F231-H234 WeakPolarHBondContact O-CA 3.38Å; F231-H234 VanDerWaalsContact O-CB 3.3Å; F231-H234 WeakPolarHBondContact O-CB 3.21Å; F231-H234 PolarHBondContact O-N 2.66Å; F231-Q235 VanDerWaalsContact CE1-CD 3.42Å; F231-Q235 HydrophobicContact CE1-CG 4.24Å; F231-Q235 VanDerWaalsContact CE1-OE1 3.32Å; F231-Q235 HydrophobicContact CZ-CG 4.4Å; F231-Q235 PolarHBondContact O-N 2.93Å
232Y90.9Very high91.3Very high108 Ų10882 Ų8242%0.42442%0.422SS..Hα-helixtrans-70-32.2-179.1-73-58.2000113F143 N145 A228 H234 Q235 G236F143-Y232 HydrophobicContact CD1-CE2 4.42Å; F143-Y232 AromaticContact CE1-CE2 3.79Å; F143-Y232 HydrophobicContact CE1-CE2 3.79Å; N145-Y232 PolarHBondContact ND2-OH 3.21Å; A228-Y232 WeakPolarHBondContact O-CD2 3.49Å; A228-Y232 PolarHBondContact O-N 2.74Å; Y232-H234 PolarHBondContact O-N 2.95Å; Y232-Q235 PolarHBondContact O-N 3.23Å; Y232-G236 PolarHBondContact O-N 3.34Å
233E90.1Very high91.3Very high91 Ų9179.4 Ų79.443%0.42542%0.417SS..Hα-helixtrans-63.4-23.2167.8-85.1-169.6-146.600113.4K229 F231 K237K229-E233 WeakPolarHBondContact CE-OE1 3.16Å; K229-E233 HydrophobicContact CG-CG 4.39Å; K229-E233 WeakPolarHBondContact CG-OE1 3.39Å; K229-E233 IonicContact NZ-OE1 3.44Å; K229-E233 WeakPolarHBondContact O-CB 3.31Å; K229-E233 VanDerWaalsContact O-CG 3.32Å; K229-E233 WeakPolarHBondContact O-CG 3.36Å; K229-E233 PolarHBondContact O-N 3.47Å; F231-E233 PolarHBondContact O-N 3.05Å; E233-K237 WeakPolarHBondContact O-CD 3.49Å; E233-K237 VanDerWaalsContact O-CE 3.31Å; E233-K237 WeakPolarHBondContact O-CE 3.17Å; E233-K237 VanDerWaalsContact O-CG 3.24Å; E233-K237 WeakPolarHBondContact O-CG 3.49Å; E233-K237 PolarHBondContact O-NZ 3.36Å; E233-K237 IonicContact OE2-NZ 2.7Å; E233-K237 PolarHBondContact OE2-NZ 3.26Å
234H86.8Confident91.4Very high36 Ų3680.2 Ų80.217%0.16742%0.419CS..Hα-helixtrans-82.3-52.2174.1-166.8-31.8000110.6K134 K230 F231 Y232 G236 K237 E238K134-H234 PolarHBondContact NZ-CD2 2.88Å; K134-H234 VanDerWaalsContact NZ-CD2 3.27Å; K134-H234 PolarHBondContact NZ-NE2 3.34Å; K230-H234 PolarHBondContact O-N 3.27Å; K230-H234 VanDerWaalsContact O-N 3.15Å; F231-H234 WeakPolarHBondContact O-CA 3.38Å; F231-H234 VanDerWaalsContact O-CB 3.3Å; F231-H234 WeakPolarHBondContact O-CB 3.21Å; F231-H234 PolarHBondContact O-N 2.66Å; Y232-H234 PolarHBondContact O-N 2.95Å; H234-G236 VanDerWaalsContact C-N 3.29Å; H234-G236 PolarHBondContact O-N 3.27Å; H234-K237 WeakPolarHBondContact O-CB 3.45Å; H234-K237 PolarHBondContact O-N 3.25Å; H234-E238 IonicContact CE1-OE1 2.65Å; H234-E238 PolarHBondContact CE1-OE1 3.36Å; H234-E238 IonicContact CE1-OE2 3.85Å; H234-E238 IonicContact ND1-OE1 2.69Å; H234-E238 IonicContact ND1-OE2 2.72Å; H234-E238 PolarHBondContact O-N 3.02Å
235Q89Confident91.5Very high77 Ų7782 Ų8236%0.3643%0.434SS..Hα-helixtrans-57.6-43178.3-69.8-167.2-30.900111.3F231 Y232 K237 E238 V239F231-Q235 VanDerWaalsContact CE1-CD 3.42Å; F231-Q235 HydrophobicContact CE1-CG 4.24Å; F231-Q235 VanDerWaalsContact CE1-OE1 3.32Å; F231-Q235 HydrophobicContact CZ-CG 4.4Å; F231-Q235 PolarHBondContact O-N 2.93Å; Y232-Q235 PolarHBondContact O-N 3.23Å; Q235-K237 PolarHBondContact O-N 3.43Å; Q235-E238 PolarHBondContact O-N 3.01Å; Q235-E238 VanDerWaalsContact O-N 3.09Å; Q235-V239 WeakPolarHBondContact O-CG2 3.45Å; Q235-V239 PolarHBondContact O-N 3.41Å
236G88.8Confident91.6Very high34 Ų3486 Ų8635%0.35145%0.445SS..Hα-helixtrans-61.6-26.1176.900000114.3Y232 H234 K240Y232-G236 PolarHBondContact O-N 3.34Å; H234-G236 VanDerWaalsContact C-N 3.29Å; H234-G236 PolarHBondContact O-N 3.27Å; G236-K240 WeakPolarHBondContact O-CB 3.45Å; G236-K240 VanDerWaalsContact O-CG 3.26Å; G236-K240 WeakPolarHBondContact O-CG 3.43Å; G236-K240 PolarHBondContact O-N 2.73Å
237K90.6Very high91.8Very high120 Ų12087.5 Ų87.552%0.52245%0.45SS..Hα-helixtrans-77.2-38.2173.9-70167.6-172.1119.90111.1E233 H234 Q235 K240 V241E233-K237 WeakPolarHBondContact O-CD 3.49Å; E233-K237 VanDerWaalsContact O-CE 3.31Å; E233-K237 WeakPolarHBondContact O-CE 3.17Å; E233-K237 VanDerWaalsContact O-CG 3.24Å; E233-K237 WeakPolarHBondContact O-CG 3.49Å; E233-K237 PolarHBondContact O-NZ 3.36Å; E233-K237 IonicContact OE2-NZ 2.7Å; E233-K237 PolarHBondContact OE2-NZ 3.26Å; H234-K237 WeakPolarHBondContact O-CB 3.45Å; H234-K237 PolarHBondContact O-N 3.25Å; Q235-K237 PolarHBondContact O-N 3.43Å; K237-K240 PolarHBondContact O-N 3.06Å; K237-V241 WeakPolarHBondContact O-CG2 3.42Å; K237-V241 PolarHBondContact O-N 2.9Å; K237-V241 VanDerWaalsContact O-N 3.14Å
238E87.9Confident92Very high102 Ų10288.4 Ų88.448%0.47746%0.455SS..Hα-helixtrans-69.9-44176.3-65.5178.2144.300111.7H234 Q235 K240 V241 V242H234-E238 IonicContact CE1-OE1 2.65Å; H234-E238 PolarHBondContact CE1-OE1 3.36Å; H234-E238 IonicContact CE1-OE2 3.85Å; H234-E238 IonicContact ND1-OE1 2.69Å; H234-E238 IonicContact ND1-OE2 2.72Å; H234-E238 PolarHBondContact O-N 3.02Å; Q235-E238 PolarHBondContact O-N 3.01Å; Q235-E238 VanDerWaalsContact O-N 3.09Å; E238-K240 VanDerWaalsContact C-N 3.29Å; E238-K240 PolarHBondContact O-N 2.68Å; E238-V241 WeakPolarHBondContact O-CB 3.33Å; E238-V241 PolarHBondContact O-N 3.27Å; E238-V242 WeakPolarHBondContact O-CG2 3.47Å; E238-V242 PolarHBondContact O-N 3.19Å
239V94.8Very high92.2Very high97 Ų9793 Ų9359%0.58847%0.473SS*.Hα-helixtrans-58.3-40.1172.4172.90000111.1Q235 V241 V242 A243Q235-V239 WeakPolarHBondContact O-CG2 3.45Å; Q235-V239 PolarHBondContact O-N 3.41Å; V239-V241 PolarHBondContact O-N 2.93Å; V239-V242 PolarHBondContact O-N 3.47Å; V239-A243 VanDerWaalsContact O-CB 3.31Å; V239-A243 WeakPolarHBondContact O-CB 3.31Å; V239-A243 PolarHBondContact O-N 2.81Å
240K93.9Very high92.5Very high162 Ų16288 Ų8870%0.70446%0.459SS*.Hα-helixtrans-62.9-37.2173.5-80.9-179.7179.2-166.40113.1G236 K237 E238 S244G236-K240 WeakPolarHBondContact O-CB 3.45Å; G236-K240 VanDerWaalsContact O-CG 3.26Å; G236-K240 WeakPolarHBondContact O-CG 3.43Å; G236-K240 PolarHBondContact O-N 2.73Å; K237-K240 PolarHBondContact O-N 3.06Å; E238-K240 VanDerWaalsContact C-N 3.29Å; E238-K240 PolarHBondContact O-N 2.68Å; K240-S244 VanDerWaalsContact O-CB 3.28Å; K240-S244 WeakPolarHBondContact O-CB 3.37Å; K240-S244 PolarHBondContact O-N 2.87Å
241V93.3Very high92.8Very high103 Ų10385.5 Ų85.562%0.62446%0.455SS*.Hα-helixtrans-65.8-45.1173.8172.10000111K237 E238 V239 S244 A245K237-V241 WeakPolarHBondContact O-CG2 3.42Å; K237-V241 PolarHBondContact O-N 2.9Å; K237-V241 VanDerWaalsContact O-N 3.14Å; E238-V241 WeakPolarHBondContact O-CB 3.33Å; E238-V241 PolarHBondContact O-N 3.27Å; V239-V241 PolarHBondContact O-N 2.93Å; V241-S244 PolarHBondContact O-N 3.21Å; V241-A245 PolarHBondContact O-N 3.18Å
242V95Very high93Very high80 Ų8091.2 Ų91.249%0.48548%0.476SS..Hα-helixtrans-63.4-46.6177.6174.60000111.3E238 V239 S244 A245 Y246E238-V242 WeakPolarHBondContact O-CG2 3.47Å; E238-V242 PolarHBondContact O-N 3.19Å; V239-V242 PolarHBondContact O-N 3.47Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.03Å; V242-A245 WeakPolarHBondContact O-CB 3.28Å; V242-A245 PolarHBondContact O-N 2.88Å; V242-A245 VanDerWaalsContact O-N 3.15Å; V242-Y246 HydrophobicContact CG1-CD2 3.79Å; V242-Y246 HydrophobicContact CG1-CE2 3.72Å; V242-Y246 WeakPolarHBondContact O-CD2 3.46Å; V242-Y246 PolarHBondContact O-N 3.49Å
243A94.9Very high93.3Very high56 Ų5690.4 Ų90.446%0.46348%0.478SS..Hα-helixtrans-61-40.5176.400000112.1V239 Y246 K247V239-A243 VanDerWaalsContact O-CB 3.31Å; V239-A243 WeakPolarHBondContact O-CB 3.31Å; V239-A243 PolarHBondContact O-N 2.81Å; A243-Y246 PolarHBondContact O-N 3.32Å; A243-K247 WeakPolarHBondContact O-CB 3.48Å; A243-K247 PolarHBondContact O-N 2.92Å
244S93.7Very high93.6Very high78 Ų7893.4 Ų93.455%0.54549%0.49SS..Hα-helixtrans-63-41.3173.5-173.70000112.1K240 V241 V242 K247 S248K240-S244 VanDerWaalsContact O-CB 3.28Å; K240-S244 WeakPolarHBondContact O-CB 3.37Å; K240-S244 PolarHBondContact O-N 2.87Å; V241-S244 PolarHBondContact O-N 3.21Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.03Å; S244-K247 PolarHBondContact O-N 2.89Å; S244-S248 WeakPolarHBondContact O-CB 3.47Å; S244-S248 PolarHBondContact O-N 3.46Å
245A94.7Very high94.1Very high54 Ų5495.1 Ų95.145%0.44650%0.5SS..Hα-helixtrans-60.8-46.2174.600000111.8V241 V242 S248 F249V241-A245 PolarHBondContact O-N 3.18Å; V242-A245 WeakPolarHBondContact O-CB 3.28Å; V242-A245 PolarHBondContact O-N 2.88Å; V242-A245 VanDerWaalsContact O-N 3.15Å; A245-S248 WeakPolarHBondContact O-CB 3.22Å; A245-S248 PolarHBondContact O-N 2.9Å; A245-S248 PolarHBondContact O-OG 2.97Å; A245-F249 PolarHBondContact O-N 3.35Å
246Y96.9Very high94.4Very high168 Ų16896.1 Ų96.166%0.65951%0.511SS*.Hα-helixtrans-65-40.5174.6-81-72.9000112.9V242 A243 S248 F249 G250V242-Y246 HydrophobicContact CG1-CD2 3.79Å; V242-Y246 HydrophobicContact CG1-CE2 3.72Å; V242-Y246 WeakPolarHBondContact O-CD2 3.46Å; V242-Y246 PolarHBondContact O-N 3.49Å; A243-Y246 PolarHBondContact O-N 3.32Å; Y246-S248 VanDerWaalsContact C-N 3.31Å; Y246-S248 PolarHBondContact O-N 3.22Å; Y246-F249 WeakPolarHBondContact O-CB 3.48Å; Y246-F249 PolarHBondContact O-N 3.34Å; Y246-G250 PolarHBondContact O-N 3Å
247K95.9Very high94.7Very high147 Ų147100.5 Ų100.564%0.63952%0.52SS*.Hα-helixtrans-59.4-41.9173.1-168.7167.1-176.8169.60111A243 S244 F249 G250 T251A243-K247 WeakPolarHBondContact O-CB 3.48Å; A243-K247 PolarHBondContact O-N 2.92Å; S244-K247 PolarHBondContact O-N 2.89Å; K247-F249 VanDerWaalsContact C-N 3.3Å; K247-F249 PolarHBondContact O-N 2.98Å; K247-G250 PolarHBondContact O-N 3.15Å; K247-T251 PolarHBondContact O-N 3.09Å; K247-T251 PolarHBondContact O-OG1 3.01Å; K247-T251 VanDerWaalsContact O-OG1 3.13Å
248S93.6Very high94.9Very high50 Ų50101.1 Ų101.135%0.3552%0.519SS..Hα-helixtrans-64.6-31.6174.487.30000113.4S244 A245 Y246 R252S244-S248 WeakPolarHBondContact O-CB 3.47Å; S244-S248 PolarHBondContact O-N 3.46Å; A245-S248 WeakPolarHBondContact O-CB 3.22Å; A245-S248 PolarHBondContact O-N 2.9Å; A245-S248 PolarHBondContact O-OG 2.97Å; Y246-S248 VanDerWaalsContact C-N 3.31Å; Y246-S248 PolarHBondContact O-N 3.22Å; S248-R252 WeakPolarHBondContact O-CG 3.09Å; S248-R252 PolarHBondContact O-N 2.86Å; S248-R252 VanDerWaalsContact O-N 3.14Å; S248-R252 PolarHBondContact O-NE 2.88Å; S248-R252 PolarHBondContact OG-NH2 3.37Å
249F96Very high95.1Very high107 Ų107101 Ų10147%0.46952%0.517SS..Hα-helixtrans-76.9-44.5179.1-177.5-117.8000110.9A245 Y246 K247 T251 R252 I253A245-F249 PolarHBondContact O-N 3.35Å; Y246-F249 WeakPolarHBondContact O-CB 3.48Å; Y246-F249 PolarHBondContact O-N 3.34Å; K247-F249 VanDerWaalsContact C-N 3.3Å; K247-F249 PolarHBondContact O-N 2.98Å; F249-T251 VanDerWaalsContact C-N 3.34Å; F249-T251 PolarHBondContact O-N 3.15Å; F249-R252 WeakPolarHBondContact O-CB 3.34Å; F249-R252 PolarHBondContact O-N 3.35Å; F249-R252 VanDerWaalsContact O-N 3.11Å; F249-I253 HydrophobicContact CD1-CD1 3.86Å; F249-I253 HydrophobicContact CE1-CD1 3.51Å; F249-I253 HydrophobicContact CE1-CG1 4.47Å; F249-I253 HydrophobicContact CE2-CD1 4.36Å; F249-I253 HydrophobicContact CG-CD1 4.43Å; F249-I253 HydrophobicContact CZ-CD1 3.79Å; F249-I253 HydrophobicContact CZ-CG1 4.37Å; F249-I253 WeakPolarHBondContact O-CG1 3.3Å; F249-I253 PolarHBondContact O-N 2.78Å
250G97.1Very high94.9Very high30 Ų30100.8 Ų100.831%0.30951%0.512SS..Hα-helixtrans-57.5-43.4171.700000112.6Y246 K247 R252 I253 K254Y246-G250 PolarHBondContact O-N 3Å; K247-G250 PolarHBondContact O-N 3.15Å; G250-R252 PolarHBondContact O-N 2.9Å; G250-I253 PolarHBondContact O-N 2.94Å; G250-K254 WeakPolarHBondContact O-CG 3.38Å; G250-K254 PolarHBondContact O-N 2.97Å
251T96.1Very high94.8Very high75 Ų7596.6 Ų96.646%0.4650%0.497SS..Hα-helixtrans-62.4-41.1173.5-62.70000112.2K247 F249 K254 I255K247-T251 PolarHBondContact O-N 3.09Å; K247-T251 PolarHBondContact O-OG1 3.01Å; K247-T251 VanDerWaalsContact O-OG1 3.13Å; F249-T251 VanDerWaalsContact C-N 3.34Å; F249-T251 PolarHBondContact O-N 3.15Å; T251-K254 PolarHBondContact O-N 3.31Å; T251-I255 HydrophobicContact CG2-CD1 4.05Å; T251-I255 VanDerWaalsContact O-CG1 3.31Å; T251-I255 WeakPolarHBondContact O-CG1 3.4Å; T251-I255 PolarHBondContact O-N 3.01Å
252R94.1Very high94.6Very high140 Ų14096.7 Ų96.753%0.52849%0.491SS..Hα-helixtrans-63.5-42.1174.5-79.1176.5-75.7161.8-6.4112.2S248 F249 G250 I255 V256S248-R252 WeakPolarHBondContact O-CG 3.09Å; S248-R252 PolarHBondContact O-N 2.86Å; S248-R252 VanDerWaalsContact O-N 3.14Å; S248-R252 PolarHBondContact O-NE 2.88Å; S248-R252 PolarHBondContact OG-NH2 3.37Å; F249-R252 WeakPolarHBondContact O-CB 3.34Å; F249-R252 PolarHBondContact O-N 3.35Å; F249-R252 VanDerWaalsContact O-N 3.11Å; G250-R252 PolarHBondContact O-N 2.9Å; R252-I255 PolarHBondContact O-N 2.97Å; R252-V256 WeakPolarHBondContact O-CG2 3.41Å; R252-V256 PolarHBondContact O-N 3.48Å
253I97.1Very high94.1Very high92 Ų9295.7 Ų95.747%0.47249%0.485SS..Hα-helixtrans-60.7-47.4173.2-69.2168.7000110.6F249 G250 I255 V256 K257F249-I253 HydrophobicContact CD1-CD1 3.86Å; F249-I253 HydrophobicContact CE1-CD1 3.51Å; F249-I253 HydrophobicContact CE1-CG1 4.47Å; F249-I253 HydrophobicContact CE2-CD1 4.36Å; F249-I253 HydrophobicContact CG-CD1 4.43Å; F249-I253 HydrophobicContact CZ-CD1 3.79Å; F249-I253 HydrophobicContact CZ-CG1 4.37Å; F249-I253 WeakPolarHBondContact O-CG1 3.3Å; F249-I253 PolarHBondContact O-N 2.78Å; G250-I253 PolarHBondContact O-N 2.94Å; I253-I255 VanDerWaalsContact C-N 3.26Å; I253-I255 PolarHBondContact O-N 3.33Å; I253-V256 PolarHBondContact O-N 2.87Å; I253-K257 WeakPolarHBondContact O-CB 3.25Å; I253-K257 PolarHBondContact O-N 3.07Å
254K96.5Very high93.6Very high154 Ų15497.3 Ų97.367%0.6749%0.485SS*.Hα-helixtrans-58-36.8176.7-73-179.7178.9-173.80112.1G250 T251 R258G250-K254 WeakPolarHBondContact O-CG 3.38Å; G250-K254 PolarHBondContact O-N 2.97Å; T251-K254 PolarHBondContact O-N 3.31Å; K254-R258 PolarHBondContact O-N 3.14Å; K254-R258 VanDerWaalsContact O-N 3.11Å
255I95.4Very high93Very high72 Ų7298.4 Ų98.437%0.36949%0.49SS..Hα-helixtrans-70-45.9174.8-68.3163.3000111.9T251 R252 I253 R258 K259T251-I255 HydrophobicContact CG2-CD1 4.05Å; T251-I255 VanDerWaalsContact O-CG1 3.31Å; T251-I255 WeakPolarHBondContact O-CG1 3.4Å; T251-I255 PolarHBondContact O-N 3.01Å; R252-I255 PolarHBondContact O-N 2.97Å; I253-I255 VanDerWaalsContact C-N 3.26Å; I253-I255 PolarHBondContact O-N 3.33Å; I255-R258 PolarHBondContact O-N 3.36Å; I255-K259 PolarHBondContact O-N 3.45Å
256V95.4Very high91.9Very high98 Ų98102.3 Ų102.359%0.59450%0.503SS*.Hα-helixtrans-63.6-42.7178.2171.60000110.8R252 I253 K259 L260R252-V256 WeakPolarHBondContact O-CG2 3.41Å; R252-V256 PolarHBondContact O-N 3.48Å; I253-V256 PolarHBondContact O-N 2.87Å; V256-K259 PolarHBondContact O-N 3.33Å; V256-L260 PolarHBondContact O-N 3.2Å
257K95.1Very high90.6Very high125 Ų125100 Ų10054%0.54350%0.502SS..Hα-helixtrans-58.3-49.8174.4-164.9-150.1178.2-1050110.9I253 K259 L260 D261I253-K257 WeakPolarHBondContact O-CB 3.25Å; I253-K257 PolarHBondContact O-N 3.07Å; K257-K259 VanDerWaalsContact C-N 3.34Å; K257-K259 PolarHBondContact O-N 2.92Å; K257-L260 CarbonylContact O-C 3.59Å; K257-L260 WeakPolarHBondContact O-CA 3.49Å; K257-L260 WeakPolarHBondContact O-CB 3.49Å; K257-L260 PolarHBondContact O-N 3.07Å; K257-D261 IonicContact NZ-OD1 3.78Å; K257-D261 PolarHBondContact NZ-OD1 2.96Å; K257-D261 IonicContact NZ-OD2 3.83Å; K257-D261 PolarHBondContact NZ-OD2 3.03Å; K257-D261 PolarHBondContact O-N 3.19Å
258R94.9Very high89.2Confident133 Ų13397.5 Ų97.550%0.50251%0.509SS..Hα-helixtrans-58.3-44.4178.6-163.5-165.4-64.5107.10.5112K254 I255 L260 D261 E262K254-R258 PolarHBondContact O-N 3.14Å; K254-R258 VanDerWaalsContact O-N 3.11Å; I255-R258 PolarHBondContact O-N 3.36Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 2.96Å; R258-D261 PolarHBondContact O-N 3.06Å; R258-E262 WeakPolarHBondContact CD-OE1 3.15Å; R258-E262 HydrophobicContact CG-CG 4.45Å; R258-E262 VanDerWaalsContact CG-OE1 3.26Å; R258-E262 WeakPolarHBondContact CG-OE1 3.03Å; R258-E262 WeakPolarHBondContact O-CB 3.33Å; R258-E262 WeakPolarHBondContact O-CG 3.41Å; R258-E262 PolarHBondContact O-N 2.87Å
259K92.2Very high87.7Confident99 Ų9999.9 Ų99.943%0.4353%0.526SS..Hα-helixtrans-64.1-31.4175.8-73.3-171.5173.8-167.80113.3I255 V256 K257 T263I255-K259 PolarHBondContact O-N 3.45Å; V256-K259 PolarHBondContact O-N 3.33Å; K257-K259 VanDerWaalsContact C-N 3.34Å; K257-K259 PolarHBondContact O-N 2.92Å; K259-T263 WeakPolarHBondContact O-CB 3.35Å; K259-T263 WeakPolarHBondContact O-CG2 3.41Å; K259-T263 PolarHBondContact O-N 3.18Å; K259-T263 VanDerWaalsContact O-N 3.07Å; K259-T263 PolarHBondContact O-OG1 3.04Å
260L91.7Very high86Confident94 Ų94100.5 Ų100.549%0.49254%0.54SS..Hα-helixtrans-71.1-47.1172.8-174.662.1000110.7V256 K257 R258 E262 T263 I264V256-L260 PolarHBondContact O-N 3.2Å; K257-L260 CarbonylContact O-C 3.59Å; K257-L260 WeakPolarHBondContact O-CA 3.49Å; K257-L260 WeakPolarHBondContact O-CB 3.49Å; K257-L260 PolarHBondContact O-N 3.07Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 2.96Å; L260-E262 VanDerWaalsContact C-N 3.25Å; L260-E262 PolarHBondContact O-N 3.35Å; L260-T263 WeakPolarHBondContact CA-OG1 3.49Å; L260-T263 PolarHBondContact O-N 2.95Å; L260-T263 VanDerWaalsContact O-N 3.09Å; L260-T263 PolarHBondContact O-OG1 3.45Å; L260-I264 HydrophobicContact CD1-CD1 4.32Å; L260-I264 HydrophobicContact CD1-CG1 4.28Å; L260-I264 HydrophobicContact CG-CD1 3.9Å; L260-I264 HydrophobicContact CG-CG1 4.35Å; L260-I264 VanDerWaalsContact O-CG1 3.28Å; L260-I264 WeakPolarHBondContact O-CG1 3.34Å; L260-I264 PolarHBondContact O-N 3.4Å
261D90.4Very high84.3Confident73 Ų73106.8 Ų106.839%0.3957%0.565SS.*Hα-helixtrans-59.2-34.8175-59.5-34000111.7K257 R258 P265K257-D261 IonicContact NZ-OD1 3.78Å; K257-D261 PolarHBondContact NZ-OD1 2.96Å; K257-D261 IonicContact NZ-OD2 3.83Å; K257-D261 PolarHBondContact NZ-OD2 3.03Å; K257-D261 PolarHBondContact O-N 3.19Å; R258-D261 PolarHBondContact O-N 3.06Å; D261-P265 WeakPolarHBondContact O-CD 3.26Å
262E89.6Confident82.5Confident105 Ų105108.4 Ų108.449%0.49158%0.577SS.*Hα-helixtrans-73.5-30.7174.2-74.5161.9-170.200113.5R258 L260 N266R258-E262 WeakPolarHBondContact CD-OE1 3.15Å; R258-E262 HydrophobicContact CG-CG 4.45Å; R258-E262 VanDerWaalsContact CG-OE1 3.26Å; R258-E262 WeakPolarHBondContact CG-OE1 3.03Å; R258-E262 WeakPolarHBondContact O-CB 3.33Å; R258-E262 WeakPolarHBondContact O-CG 3.41Å; R258-E262 PolarHBondContact O-N 2.87Å; L260-E262 VanDerWaalsContact C-N 3.25Å; L260-E262 PolarHBondContact O-N 3.35Å; E262-N266 PolarHBondContact O-ND2 3.36Å
263T84Confident80.7Confident59 Ų59107 Ų10736%0.36259%0.588SS.*Hα-helixtrans-90.1-30.6-178.545.50000113K259 L260 N266 L267K259-T263 WeakPolarHBondContact O-CB 3.35Å; K259-T263 WeakPolarHBondContact O-CG2 3.41Å; K259-T263 PolarHBondContact O-N 3.18Å; K259-T263 VanDerWaalsContact O-N 3.07Å; K259-T263 PolarHBondContact O-OG1 3.04Å; L260-T263 WeakPolarHBondContact CA-OG1 3.49Å; L260-T263 PolarHBondContact O-N 2.95Å; L260-T263 VanDerWaalsContact O-N 3.09Å; L260-T263 PolarHBondContact O-OG1 3.45Å; T263-N266 CarbonylContact O-C 3.45Å; T263-N266 WeakPolarHBondContact O-CA 3.2Å; T263-N266 PolarHBondContact O-N 3.24Å; T263-L267 PolarHBondContact O-N 2.98Å
264I84.4Confident79Confident91 Ų91107.9 Ų107.947%0.46760%0.6SS.*G310 helixtrans-49.7-46.9178.7-79.5164.6000113.4L260 N266 L267L260-I264 HydrophobicContact CD1-CD1 4.32Å; L260-I264 HydrophobicContact CD1-CG1 4.28Å; L260-I264 HydrophobicContact CG-CD1 3.9Å; L260-I264 HydrophobicContact CG-CG1 4.35Å; L260-I264 VanDerWaalsContact O-CG1 3.28Å; L260-I264 WeakPolarHBondContact O-CG1 3.34Å; L260-I264 PolarHBondContact O-N 3.4Å; I264-N266 PolarHBondContact O-N 3.3Å; I264-L267 PolarHBondContact O-N 2.65Å
265P81.8Confident77.2Confident100 Ų100105.9 Ų105.965%0.64960%0.597SS**G310 helixtrans-68-19.1177.3-21.233.8000114.5D261D261-P265 WeakPolarHBondContact O-CD 3.26Å
266N72Confident75.6Confident136 Ų136109 Ų10973%0.72762%0.619SS**G310 helixtrans-99.9-6.9-178.5-66.3-62.8000112.7E262 T263 I264 A268E262-N266 PolarHBondContact O-ND2 3.36Å; T263-N266 CarbonylContact O-C 3.45Å; T263-N266 WeakPolarHBondContact O-CA 3.2Å; T263-N266 PolarHBondContact O-N 3.24Å; I264-N266 PolarHBondContact O-N 3.3Å; N266-A268 PolarHBondContact O-N 3.42Å
267L70.3Confident73.7Confident119 Ų119110.6 Ų110.662%0.62362%0.624SS**SBendtrans-66.7119.5165.9-66.1177.5000107.8T263 I264 S269T263-L267 PolarHBondContact O-N 2.98Å; I264-L267 PolarHBondContact O-N 2.65Å; L267-S269 PolarHBondContact O-N 3.3Å; L267-S269 VanDerWaalsContact O-N 3.16Å
268A65.6Low72.1Confident96 Ų96106.8 Ų106.879%0.79362%0.616SS**PPolyproline II helixtrans-54.3124.7174.200000109.2N266N266-A268 PolarHBondContact O-N 3.42Å
269S61.2Low70.4Confident100 Ų100106.4 Ų106.470%0.69963%0.631SS**PPolyproline II helixtrans-49.7133.4175.352.40000109.3L267 I271L267-S269 PolarHBondContact O-N 3.3Å; L267-S269 VanDerWaalsContact O-N 3.16Å; S269-I271 PolarHBondContact O-N 2.82Å
270P61.1Low68.6Low119 Ų119106.7 Ų106.777%0.77365%0.646SS**PPolyproline II helixtrans-47.7129.7-178.1-28.934.7000110.5P272P270-P272 WeakPolarHBondContact O-CD 3.35Å; P270-P272 VanDerWaalsContact O-N 3.08Å
271I61.8Low66.7Low162 Ų162108.3 Ų108.383%0.83166%0.661SS**PPolyproline II helixtrans-50.3122.3178.9-60.3174.5000106.6S269 S273S269-I271 PolarHBondContact O-N 2.82Å; I271-S273 PolarHBondContact O-N 3.47Å
272P58.8Low64.9Low110 Ų110113.2 Ų113.271%0.71468%0.682SS**PPolyproline II helixtrans-50.9131.5-178.8-28.735.4000109.4P270P270-P272 WeakPolarHBondContact O-CD 3.35Å; P270-P272 VanDerWaalsContact O-N 3.08Å
273S56Low63.1Low109 Ų109119 Ų11976%0.76270%0.7SS**PPolyproline II helixtrans-50.2137178.7-55.10000109.2I271 D275I271-S273 PolarHBondContact O-N 3.47Å; S273-D275 PolarHBondContact O-N 3.05Å
274P61.9Low61.6Low111 Ų111124.1 Ų124.172%0.72172%0.724SS**PPolyproline II helixtrans-49.8144.4-179.7-27.634.6000111V276 A278P274-V276 PolarHBondContact O-N 3.36Å; P274-A278 HydrophobicContact CB-CB 4.08Å
275D57.3Low59.9Low113 Ų113123.5 Ų123.560%0.60473%0.733SS**PPolyproline II helixtrans-49.7142.6177.4-179.923.4000110.1S273 N277 A278S273-D275 PolarHBondContact O-N 3.05Å; D275-N277 PolarHBondContact O-N 3.43Å; D275-N277 PolarHBondContact OD2-ND2 2.85Å; D275-A278 WeakPolarHBondContact O-CB 3.46Å; D275-A278 PolarHBondContact O-N 3.14Å
276V61.8Low58.2Low138 Ų138126.2 Ų126.284%0.83674%0.742SS**THydrogen-bonded Turntrans-60.1-18-176.6141.60000112.6P274P274-V276 PolarHBondContact O-N 3.36Å
277N55.7Low56.8Low130 Ų130127.4 Ų127.470%0.69575%0.748SS**THydrogen-bonded Turntrans-94.2-0.4174.9-52.1-72.8000114.1D275D275-N277 PolarHBondContact O-N 3.43Å; D275-N277 PolarHBondContact OD2-ND2 2.85Å
278A61.5Low55.5Low46 Ų46129.7 Ų129.738%0.3876%0.755SS.*SBendtrans-64131.2170.100000109P274 D275 S280P274-A278 HydrophobicContact CB-CB 4.08Å; D275-A278 WeakPolarHBondContact O-CB 3.46Å; D275-A278 PolarHBondContact O-N 3.14Å; A278-S280 PolarHBondContact O-N 2.95Å
279P60.5Low54.2Low124 Ų124132.2 Ų132.281%0.80575%0.754SS**PPolyproline II helixtrans-57.2124.7177-2534.4000110.8
280S54.3Low53.2Low106 Ų106133.2 Ų133.274%0.74176%0.759SS**PPolyproline II helixtrans-50.8127.4169.2-63.40000109.1A278 E282A278-S280 PolarHBondContact O-N 2.95Å; S280-E282 PolarHBondContact O-N 3.09Å; S280-E282 VanDerWaalsContact O-N 3.17Å
281P51.8Low52.2Low127 Ų127135.1 Ų135.183%0.82576%0.757SS**PPolyproline II helixtrans-53.9124.9-179.3-27.935.2000110.9R283P281-R283 PolarHBondContact O-N 3.2Å
282E51.8Low51.5Low176 Ų176137 Ų13782%0.82276%0.763SS**PPolyproline II helixtrans-62.3136.8176-64.5-170.5144.800109.1S280S280-E282 PolarHBondContact O-N 3.09Å; S280-E282 VanDerWaalsContact O-N 3.17Å
283R51.3Low50.5Low228 Ų228137.4 Ų137.486%0.8676%0.759SS**THydrogen-bonded Turntrans-65.9143.5165.7-84.8-178.8-83.3169.7-5.5108P281P281-R283 PolarHBondContact O-N 3.2Å
284D52.5Low49.8Very low165 Ų165138.7 Ų138.788%0.88276%0.757SS**THydrogen-bonded Turntrans78.729.8175.5-43.3-23.2000115.7
285A48.3Very low48.6Very low79 Ų79141 Ų14165%0.65376%0.762SS**  trans-85.8122.714600000109.3L287A285-L287 PolarHBondContact O-N 3.48Å
286D46.8Very low47.6Very low157 Ų157140 Ų14084%0.8476%0.761SS**  trans-59108177.5-102-37.3000110.7Q288D286-Q288 PolarHBondContact O-N 3.16Å
287L43.3Very low46.4Very low160 Ų160141.4 Ų141.484%0.83876%0.763SS**  trans-72.879.8160.6-81.8173000108.4A285 L289A285-L287 PolarHBondContact O-N 3.48Å; L287-L289 PolarHBondContact O-N 3.35Å
288Q42.5Very low45.9Very low168 Ų168141.3 Ų141.379%0.78576%0.763SS**  trans-53.599.7149.7-70.9-178.5-10.500106.7D286 P290D286-Q288 PolarHBondContact O-N 3.16Å; Q288-P290 WeakPolarHBondContact O-CD 3.31Å
289L39.3Very low44.8Very low148 Ų148146.9 Ų146.978%0.77579%0.785SS**PPolyproline II helixtrans-51.9127.2168.5-64.4174.1000106.7L287 E291L287-L289 PolarHBondContact O-N 3.35Å; L289-E291 PolarHBondContact O-N 3.23Å
290P39.7Very low43.9Very low122 Ų122148.1 Ų148.179%0.79278%0.778SS**PPolyproline II helixtrans-49.4135.1159-22.633.8000107.4Q288Q288-P290 WeakPolarHBondContact O-CD 3.31Å
291E40Very low43.2Very low159 Ų159146 Ų14674%0.74377%0.773SS**PPolyproline II helixtrans-48.7160.4-179-58175.3141.300111.3L289 N293L289-E291 PolarHBondContact O-N 3.23Å; E291-N293 PolarHBondContact O-N 3.22Å; E291-N293 PolarHBondContact OE2-ND2 2.82Å
292E46.1Very low42.5Very low201 Ų201143.1 Ų143.194%0.93977%0.767SS**  trans-66.649.9-179-64-173.7112.300114.3N294E292-N294 VanDerWaalsContact C-N 3.3Å; E292-N294 PolarHBondContact O-N 3.27Å
293N39.2Very low41.8Very low119 Ų119140.4 Ų140.464%0.63677%0.767SS**  trans-84.372.8176.6-79.7-53.7000110E291E291-N293 PolarHBondContact O-N 3.22Å; E291-N293 PolarHBondContact OE2-ND2 2.82Å
294N41.1Very low41.3Very low135 Ų135133.3 Ų133.372%0.72275%0.745SS**  trans4290.5155.3-68.5-89.7000115.7E292 P296E292-N294 VanDerWaalsContact C-N 3.3Å; E292-N294 PolarHBondContact O-N 3.27Å; N294-P296 WeakPolarHBondContact O-CD 3.41Å
295I35.8Very low40.8Very low160 Ų160134 Ų13482%0.82175%0.749SS**  trans-72.2111.2144-61177.2000105.9L297I295-L297 PolarHBondContact O-N 2.94Å
296P35.9Very low40.6Very low92 Ų92132.9 Ų132.960%0.59775%0.745SS**  trans-76.796.1-178.231.9-33.5000109.6N294 N298N294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-N298 HydrophobicContact CB-CB 4.39Å; P296-N298 PolarHBondContact O-N 3.02Å
297L38.2Very low40.4Very low168 Ų168132 Ų13288%0.8873%0.734SS**  trans-68.632.7162.2-85.3169.2000112.6I295I295-L297 PolarHBondContact O-N 2.94Å
298N44.8Very low40.3Very low127 Ų127129.8 Ų129.868%0.67973%0.727SS**  trans-100.816.1178.8-92.3-33.8000112.7P296 F300 G301P296-N298 HydrophobicContact CB-CB 4.39Å; P296-N298 PolarHBondContact O-N 3.02Å; N298-F300 PolarHBondContact O-N 2.94Å; N298-F300 VanDerWaalsContact O-N 3.1Å; N298-G301 PolarHBondContact O-N 2.81Å
299L38.3Very low40.3Very low164 Ų164125.7 Ų125.786%0.85972%0.717SS**THydrogen-bonded Turntrans-64.1-13.4176.6-16659.9000113.4
300F40.3Very low40.7Very low150 Ų150127.1 Ų127.166%0.65871%0.713SS**THydrogen-bonded Turntrans-1044.5169.9-68.3-72.5000114.2N298 G302N298-F300 PolarHBondContact O-N 2.94Å; N298-F300 VanDerWaalsContact O-N 3.1Å; F300-G302 PolarHBondContact O-N 2.87Å
301G39.5Very low41.1Very low61 Ų61128.3 Ų128.363%0.62971%0.712SS**THydrogen-bonded Turntrans-76.898.118000000112.3N298N298-G301 PolarHBondContact O-N 2.81Å
302G37.2Very low41.2Very low67 Ų67127.6 Ų127.669%0.69171%0.713SS**THydrogen-bonded Turntrans173.1-27168.800000119F300F300-G302 PolarHBondContact O-N 2.87Å
303S37.7Very low41.2Very low119 Ų119121.9 Ų121.983%0.83271%0.708SS**SBendtrans-157.443.1-173.7-750000115.5
304I41.8Very low41.6Very low79 Ų79118.9 Ų118.941%0.40571%0.706SS.*  trans-139.457.7173.450.9171.5000112.8G306 F307I304-G306 PolarHBondContact O-N 3Å; I304-F307 HydrophobicContact CB-CB 4.49Å; I304-F307 HydrophobicContact CD1-CB 4.03Å; I304-F307 HydrophobicContact CD1-CG 4.32Å; I304-F307 HydrophobicContact CG1-CB 4.48Å; I304-F307 PolarHBondContact O-N 2.95Å
305N40.4Very low41.7Very low180 Ų180122.3 Ų122.396%0.96371%0.714SS**THydrogen-bonded Turntrans-62.999.7171.6-71.2-2.3000109.9
306G45.6Very low42.3Very low54 Ų54118.1 Ų118.156%0.55769%0.693SS**THydrogen-bonded Turntrans140.5-7.6-178.200000115.6I304I304-G306 PolarHBondContact O-N 3Å
307F42.5Very low43Very low140 Ų140119.9 Ų119.961%0.61471%0.705SS**SBendtrans-85.7-28.7-178-161.4-103.8000114.3I304 S309 L311I304-F307 HydrophobicContact CB-CB 4.49Å; I304-F307 HydrophobicContact CD1-CB 4.03Å; I304-F307 HydrophobicContact CD1-CG 4.32Å; I304-F307 HydrophobicContact CG1-CB 4.48Å; I304-F307 PolarHBondContact O-N 2.95Å; F307-S309 PolarHBondContact O-N 2.76Å; F307-L311 HydrophobicContact CE1-CD1 4.48Å
308T40Very low43.4Very low113 Ų113118 Ų11869%0.69369%0.689SS**G310 helixtrans-75.6-24.4-167.7-36.30000114.7Y310 L311T308-Y310 PolarHBondContact O-N 3.14Å; T308-L311 PolarHBondContact O-N 3.45Å
309S43.4Very low43.6Very low82 Ų82116.7 Ų116.757%0.57368%0.682SS**G310 helixtrans-73.68.9-171580000115.9F307F307-S309 PolarHBondContact O-N 2.76Å
310Y47.1Very low44.2Very low178 Ų178114 Ų11470%0.69867%0.668SS**G310 helixtrans-125.81.2-176.8-60-73.5000114T308T308-Y310 PolarHBondContact O-N 3.14Å
311L48Very low44.5Very low147 Ų147112 Ų11277%0.7766%0.664SS**THydrogen-bonded Turntrans-110.2-21.1175.5-67.4172.6000112.8F307 T308 G313F307-L311 HydrophobicContact CE1-CD1 4.48Å; T308-L311 PolarHBondContact O-N 3.45Å; L311-G313 PolarHBondContact O-N 3.02Å
312D43.2Very low45Very low143 Ų143115 Ų11577%0.76567%0.665SS**SBendtrans-96.381.7178.7-175.628.4000112G314D312-G314 PolarHBondContact O-N 2.8Å
313G45.6Very low45.3Very low81 Ų81120.2 Ų120.284%0.83567%0.669SS**SBendtrans60.5-14.5156.300000120.7L311L311-G313 PolarHBondContact O-N 3.02Å
314G46.5Very low45.7Very low56 Ų56123.1 Ų123.158%0.57767%0.667SS**  trans-67.2142.9-170.700000113.5D312 L316D312-G314 PolarHBondContact O-N 2.8Å; G314-L316 PolarHBondContact O-N 3.28Å; G314-L316 VanDerWaalsContact O-N 3.09Å
315K42.8Very low45.7Very low208 Ų208128.4 Ų128.490%0.90468%0.682SS**  trans-61114.8178.5-79.7-170.9173.6-176.70111.7
316L49.3Very low46Very low72 Ų72127.9 Ų127.938%0.37768%0.679SS.*  trans-59.7153.8160.2-64.7173.5000110.4G314 F318 I320G314-L316 PolarHBondContact O-N 3.28Å; G314-L316 VanDerWaalsContact O-N 3.09Å; L316-F318 VanDerWaalsContact CB-O 3.28Å; L316-F318 WeakPolarHBondContact CB-O 3.48Å; L316-F318 HydrophobicContact CD1-CE2 4.09Å; L316-F318 PolarHBondContact O-N 2.72Å; L316-F318 VanDerWaalsContact O-N 3.15Å; L316-I320 HydrophobicContact CD1-CD1 3.94Å
317P49.7Very low45.6Very low129 Ų129129.3 Ų129.384%0.83868%0.681SS**SBendtrans-73.45174.830.3-33.9000113.9
318F47.6Very low45.7Very low127 Ų127132.8 Ų132.856%0.55770%0.696SS**SBendtrans-145.8151.3174.848.1-95.9000108.9L316L316-F318 VanDerWaalsContact CB-O 3.28Å; L316-F318 WeakPolarHBondContact CB-O 3.48Å; L316-F318 HydrophobicContact CD1-CE2 4.09Å; L316-F318 PolarHBondContact O-N 2.72Å; L316-F318 VanDerWaalsContact O-N 3.15Å
319D49.8Very low45.6Very low100 Ų100134.9 Ų134.954%0.53570%0.703SS.*  trans-82.3134.9-178.1-162.4-32.1000111.2N321 D322D319-N321 PolarHBondContact O-N 3.22Å; D319-N321 WeakPolarHBondContact OD1-CB 3.48Å; D319-N321 PolarHBondContact OD1-N 2.91Å; D319-N321 PolarHBondContact OD1-ND2 2.73Å; D319-D322 PolarHBondContact O-N 3.25Å
320I50.1Low45.2Very low109 Ų109143 Ų14356%0.55972%0.721SS**G310 helixtrans-70.8-19.8177.5-145.474.1000112.3L316 D322L316-I320 HydrophobicContact CD1-CD1 3.94Å; I320-D322 VanDerWaalsContact C-N 3.33Å
321N46.4Very low44.5Very low107 Ų107137.7 Ų137.757%0.57272%0.72SS**G310 helixtrans-77-15.9-179.3-64.9-74.3000113.6D319 F323 K324D319-N321 PolarHBondContact O-N 3.22Å; D319-N321 WeakPolarHBondContact OD1-CB 3.48Å; D319-N321 PolarHBondContact OD1-N 2.91Å; D319-N321 PolarHBondContact OD1-ND2 2.73Å; N321-F323 PolarHBondContact O-N 3.44Å; N321-K324 PolarHBondContact O-N 2.88Å
322D49.9Very low44.2Very low123 Ų123136.7 Ų136.766%0.65873%0.726SS**G310 helixtrans-63.8-28.9-177.8-140.527.4000111.5D319 I320 K324D319-D322 PolarHBondContact O-N 3.25Å; I320-D322 VanDerWaalsContact C-N 3.33Å; D322-K324 PolarHBondContact O-N 2.78Å
323F44.5Very low43.9Very low177 Ų177134.5 Ų134.578%0.77673%0.727SS**G310 helixtrans-72.2-3.4172.9-70.4-80.6000115.3N321N321-F323 PolarHBondContact O-N 3.44Å
324K45.3Very low43.7Very low181 Ų181138.5 Ų138.579%0.78773%0.728SS**G310 helixtrans-119.612.7-179.5-72.8-164.2173.9-173.70114.1N321 D322 D326N321-K324 PolarHBondContact O-N 2.88Å; D322-K324 PolarHBondContact O-N 2.78Å; K324-D326 PolarHBondContact O-N 3.26Å
325R42.2Very low43.4Very low189 Ų189142 Ų14271%0.71373%0.729SS**  trans-88.693.9177.6-155.7177-166.1171.52.4110.6S327R325-S327 PolarHBondContact O-N 2.95Å
326D45.9Very low43.1Very low169 Ų169138.1 Ų138.190%0.90472%0.723SS**  trans-54.2112.6165.1-83.9-52.6000109.1K324K324-D326 PolarHBondContact O-N 3.26Å
327S38.4Very low42.7Very low85 Ų85143 Ų14359%0.59475%0.747SS**  trans-146.8112.4-179.4-750000109.2R325 D329R325-S327 PolarHBondContact O-N 2.95Å; S327-D329 VanDerWaalsContact C-N 3.26Å; S327-D329 PolarHBondContact O-N 3.43Å; S327-D329 VanDerWaalsContact O-N 3.08Å
328K44.4Very low42.4Very low212 Ų212140.3 Ų140.392%0.92274%0.743SS**  trans-89.851.4-164.7-165.4-177.6175178.50111.9
329D36.4Very low42.1Very low158 Ų158139.8 Ų139.885%0.84576%0.755SS**  trans-140.9130.2171.2-89.4-53.6000109.4S327S327-D329 VanDerWaalsContact C-N 3.26Å; S327-D329 PolarHBondContact O-N 3.43Å; S327-D329 VanDerWaalsContact O-N 3.08Å
330R36.3Very low41.4Very low252 Ų252144.6 Ų144.695%0.95177%0.766SS**  trans-109.8111.1-174.8-83.5-174.5166.6-162.2-4.9111.6
331G33.1Very low40.7Very low66 Ų66144.8 Ų144.868%0.6878%0.777SS**  trans-127110.5163.100000110.4A333G331-A333 PolarHBondContact O-N 3.36Å
332S41.2Very low40.3Very low127 Ų127147.4 Ų147.489%0.88879%0.791SS**  trans39.972.6165.858.80000117.6
333A37.5Very low39.8Very low97 Ų97148.9 Ų148.980%0.80280%0.798SS**  trans-83.514614900000109.1G331 E335G331-A333 PolarHBondContact O-N 3.36Å; A333-E335 PolarHBondContact O-N 3.36Å
334I39.8Very low39.5Very low165 Ų165149.4 Ų149.485%0.84680%0.804SS**  trans-78.5114.7-178.5-60.3172.7000109.3
335E41.8Very low39Very low130 Ų130145 Ų14561%0.60780%0.801SS**  trans-73.6130.9168.9-72.3-161.9-168.300110.6A333 I337 R340A333-E335 PolarHBondContact O-N 3.36Å; E335-I337 PolarHBondContact O-N 3.3Å; E335-R340 IonicContact OE1-NH2 3.46Å; E335-R340 IonicContact OE2-CZ 3.96Å; E335-R340 IonicContact OE2-NH2 2.86Å; E335-R340 PolarHBondContact OE2-NH2 3.42Å
336V35.1Very low38.5Very low126 Ų126145.6 Ų145.676%0.76480%0.804SS**  trans-79.4105.9171.3179.10000108.4G338V336-G338 PolarHBondContact O-N 3.13Å
337I41.3Very low38Very low174 Ų174142.8 Ų142.889%0.89279%0.793SS**THydrogen-bonded Turntrans-67.8121.2171.6-57.5174.6000107.8E335E335-I337 PolarHBondContact O-N 3.3Å
338G42.9Very low37.8Very low73 Ų73143.5 Ų143.575%0.75380%0.796SS**THydrogen-bonded Turntrans150.3-13.1-179.400000116.2V336V336-G338 PolarHBondContact O-N 3.13Å
339S42Very low37.1Very low116 Ų116139 Ų13981%0.81179%0.791SS**  trans-125.465.2-177.7-59.90000113.1
340R35Very low36.8Very low201 Ų201135.7 Ų135.776%0.75879%0.786SS**  trans-136.5133.3165.8-62.7-179.3-174.2-107.83.9107.1E335E335-R340 IonicContact OE1-NH2 3.46Å; E335-R340 IonicContact OE2-CZ 3.96Å; E335-R340 IonicContact OE2-NH2 2.86Å; E335-R340 PolarHBondContact OE2-NH2 3.42Å
341S34.9Very low36.5Very low112 Ų112130.8 Ų130.878%0.78378%0.778SS**  trans-76.6143.5-176.247.60000112D343S341-D343 PolarHBondContact O-N 3.02Å
342D37.8Very low36.3Very low162 Ų162136 Ų13687%0.86678%0.782SS**SBendtrans-69.187.8172.7-60.7-67.7000111.5
343D39.5Very low35.8Very low154 Ų154139.7 Ų139.782%0.82478%0.778SS**  trans-169.779161.1-104.5-28.6000109.4S341S341-D343 PolarHBondContact O-N 3.02Å
344E38Very low35.4Very low189 Ų189144.5 Ų144.588%0.88378%0.781SS**  trans178.6131.6156.1-103.5-61.115500109.2Y346E344-Y346 PolarHBondContact O-N 3.49Å
345A34.6Very low35.1Very low88 Ų88142.1 Ų142.173%0.72778%0.777SS**  trans-91.7104.2-16900000112.6V347A345-V347 PolarHBondContact O-N 3.31Å
346Y33.2Very low34.4Very low201 Ų201144.7 Ų144.779%0.78879%0.788SS**  trans-74.7116.7-179.4-173.7-96.5000113.1E344 P348E344-Y346 PolarHBondContact O-N 3.49Å; Y346-P348 HydrophobicContact CD1-CG 4.39Å; Y346-P348 HydrophobicContact CE1-CG 4.39Å; Y346-P348 WeakPolarHBondContact O-CD 3.34Å
347V35.6Very low34.1Very low111 Ų111143.9 Ų143.967%0.67379%0.786SS**  trans-97.7113.7177.2-176.40000110.8A345 S349A345-V347 PolarHBondContact O-N 3.31Å; V347-S349 PolarHBondContact O-N 3.49Å
348P33.4Very low33.8Very low99 Ų99143.3 Ų143.364%0.64378%0.783SS**  trans-66.7115.6-179.5-21.434000112.3Y346 A350Y346-P348 HydrophobicContact CD1-CG 4.39Å; Y346-P348 HydrophobicContact CE1-CG 4.39Å; Y346-P348 WeakPolarHBondContact O-CD 3.34Å; P348-A350 VanDerWaalsContact C-N 3.29Å; P348-A350 PolarHBondContact O-N 3.4Å
349S29.3Very low33Very low119 Ų119145 Ų14583%0.83278%0.783SS**  trans-83.369.4-177.1-69.80000112.2V347 N351V347-S349 PolarHBondContact O-N 3.49Å; S349-N351 PolarHBondContact O-N 2.86Å
350A31.1Very low32.4Very low88 Ų88141.9 Ų141.973%0.72776%0.761SS**  trans-8194.7174.800000111.5P348P348-A350 VanDerWaalsContact C-N 3.29Å; P348-A350 PolarHBondContact O-N 3.4Å
351N29.8Very low32Very low149 Ų149136.6 Ų136.680%0.79776%0.761SS**  trans-162.3166.5162.8-108-53000112.1S349S349-N351 PolarHBondContact O-N 2.86Å
352F28.5Very low31.5Very low174 Ų174135.9 Ų135.976%0.76375%0.748SS**  trans69.5119.3-169.2-59.6-80.7000114
353Y30.9Very low30.9Very low206 Ų206132.5 Ų132.581%0.80874%0.737SS**  cis-133.6145.56.8-98.6-87.4000112.7
354K28.8Very low30.3Very low198 Ų198130 Ų13086%0.86173%0.732SS**  trans-107.4145.8149.8-98-174.4174-178.40108.8
355P33.7Very low29.7Very low115 Ų115126.3 Ų126.375%0.74773%0.727SS**  trans-87.5145.9173.135.1-32.9000111.7
356E26.4Very low29.8Very low183 Ų183129.4 Ų129.486%0.85573%0.73SS**  trans-154.9167.3166.6-96-56.595.300108.4
357P30.6Very low29.5Very low110 Ų110126.3 Ų126.371%0.71473%0.734SS**  trans-100.8173.7-136.838.1-41.4000117.5
358I33.8Very low29.1Very low162 Ų162123.9 Ų123.983%0.83173%0.731SS**  trans-87.8128.5175.2-56.9171.6000110.5
359S26.4Very low28.9Very low107 Ų107127.8 Ų127.875%0.74875%0.746SS**  trans-147.5125151.3-90.30000112.4
360S30Very low28.9Very low51 Ų51125.9 Ų125.936%0.35775%0.745SS.*  trans-87.8152.6-172.856.60000113.7K592 S593S360-K592 WeakPolarHBondContact OG-CG 3.28Å; S360-S593 WeakPolarHBondContact O-CB 3.15Å; S360-S593 PolarHBondContact OG-N 3.06Å
361A26.6Very low28.8Very low91 Ų91125.2 Ų125.275%0.75275%0.747SS**  trans-146.2149.3149.600000105.5
362D23.2Very low28.9Very low97 Ų97124 Ų12452%0.51975%0.75SS.*  149.3164.568.5-63.4-57.3000105.4K592D362-K592 PolarHBondContact O-NZ 3.33Å; D362-K592 WeakPolarHBondContact OD1-CE 3.47Å; D362-K592 IonicContact OD1-NZ 3.59Å; D362-K592 PolarHBondContact OD1-NZ 2.85Å; D362-K592 WeakPolarHBondContact OD2-CD 3.4Å; D362-K592 WeakPolarHBondContact OD2-CE 3.36Å; D362-K592 IonicContact OD2-NZ 3.31Å; D362-K592 PolarHBondContact OD2-NZ 3.4Å
363S25.1Very low29Very low90 Ų90120 Ų12063%0.62975%0.749SS**  trans-46.2145.3177.9520000114.5
364S27Very low28.9Very low103 Ų103116.2 Ų116.272%0.7275%0.747SS**  43.414172.278.90000113.6
365S26.6Very low29Very low110 Ų110117.2 Ų117.277%0.76975%0.747SS**  cis-154.2177.431.3-59.50000112.2
366I35.8Very low28.5Very low154 Ų154117.3 Ų117.379%0.7975%0.746SS**  trans-88137.1-174.7-63.7162.3000113
367P27.2Very low29.4Very low135 Ų135113.4 Ų113.488%0.87774%0.736SS**  trans-95.3115.8150.55.314.5000110.2
368G27.2Very low29.2Very low60 Ų60115.8 Ų115.862%0.61974%0.743SS**  cis170.3170.9-11.400000112.4
369L29.2Very low29Very low181 Ų181112.3 Ų112.395%0.94874%0.738SS**  trans-162.5109.7157-111172000109.7
370G28.4Very low30Very low80 Ų80112.3 Ų112.383%0.82574%0.736SS**  trans59.111215600000121.7
371G30.8Very low29.8Very low73 Ų73116.6 Ų116.675%0.75375%0.754SS**  104.9107.312400000121
372S31Very low29.8Very low124 Ų124122 Ų12287%0.86776%0.761SS**  trans68.4136.2140.4-62.30000123.4
373A31.3Very low29.9Very low89 Ų89120.6 Ų120.674%0.73677%0.769SS**  trans31.5115.3146.300000119.3
374V28Very low30Very low128 Ų128122.3 Ų122.378%0.77678%0.781SS**  60.695.151.9-167.50000113.8
375Y29.8Very low30.2Very low219 Ų219124.3 Ų124.386%0.85978%0.784SS**  -169.5152120.1-122.5-102.8000111.7
376T24.4Very low30.8Very low117 Ų117123 Ų12372%0.71878%0.775SS**  trans-120.5-177.1168.456.20000107.7
377P45.7Very low30.7Very low100 Ų100122.8 Ų122.865%0.64977%0.77SS**  cis-132.1-159.5-4.233.8-10.2000113.3
378D26.4Very low31Very low160 Ų160121.6 Ų121.686%0.85676%0.757SS**  trans80.4157.7152.8-64.9-27.1000122.1
379A28.5Very low31.4Very low90 Ų90125.8 Ų125.874%0.74476%0.76SS**  trans-128.3-162-169.100000108.7
380P46.8Very low31.6Very low106 Ų106126.9 Ų126.969%0.68875%0.753SS**  cis-134.5-154.3-6.725.61.6000113.3
381L26.2Very low32Very low141 Ų141128.5 Ų128.574%0.73875%0.747SS**  trans98.6126.7150.2-56.9168.7000122.2
382F26.8Very low33.2Very low204 Ų204130.7 Ų130.790%0.89575%0.748SS**  trans65.3151141-84.7-99.3000124.9
383G25.8Very low34.6Very low68 Ų68130.1 Ų130.170%0.70174%0.741SS**  trans116.7129169.100000114.2
384S27.9Very low35.8Very low126 Ų126131.2 Ų131.288%0.88174%0.741SS**  cis70.4136.223.7-63.60000115.5
385N30.9Very low37.3Very low146 Ų146130.5 Ų130.578%0.78174%0.739SS**  cis-168.8171.8-8.8-168.621000110.7
386S38.4Very low37.7Very low82 Ų82124 Ų12457%0.57373%0.726SS**  trans70.7165.3158.4-56.10000118.6
387Q34.6Very low38.2Very low149 Ų149126.6 Ų126.670%0.69673%0.729SS**  cis-162.1168.7-3.4-130164.8-97.900114.4
388D32.8Very low37.5Very low111 Ų111127.8 Ų127.859%0.59473%0.729SS**  trans66.9155.4147.7-64.7-27.9000123.1
389Q35.2Very low37.8Very low147 Ų147130.8 Ų130.869%0.68773%0.73SS**  cis-164.5159.7-22.3-112.8176.446.900115.3
390Y33.7Very low38Very low204 Ų204130.2 Ų130.280%0.873%0.733SS**  trans69.5127.7150.6-90.7-85.2000128.7
391V36.4Very low37.2Very low115 Ų115132.8 Ų132.870%0.69774%0.741SS**  trans-65.9174.4167.9-128.40000114.2
392P55.9Low37.5Very low119 Ų119133 Ų13377%0.77374%0.743SS**  -152.9-149.357.151.1-27.1000116.1
393P61.7Low37.7Very low111 Ų111126.9 Ų126.972%0.72174%0.737SS**  -136.9-145-126.342.4-15.4000113.9
394P56.3Low38Very low113 Ų113131.2 Ų131.273%0.73475%0.745SS**  cis-126.4-132.2-15.729.7-2.3000114.5
395P58.6Low38Very low112 Ų112128.5 Ų128.573%0.72774%0.736SS**  -113.1-148.1-110.839.9-19000114.2
396S37.6Very low38Very low84 Ų84125.3 Ų125.359%0.58774%0.738SS**  cis-176.1146.815.6290000115.2
397H36Very low37.6Very low170 Ų170127.1 Ų127.179%0.78775%0.751SS**  trans66.9160.7141.8-58.4-30000121.1
398L30.7Very low37.5Very low125 Ų125125.8 Ų125.865%0.65476%0.757SS**  cis-157.3155.8-6.9-144.481.8000111.4
399Y33.6Very low37.5Very low224 Ų224124.3 Ų124.388%0.87877%0.769SS**  trans42.3137.3157.3-73.4-156.6000119.9
400G31.1Very low37.4Very low77 Ų77120.9 Ų120.979%0.79477%0.773SS**  132.1176.764.500000108.6
401D30.2Very low37.7Very low160 Ų160116.8 Ų116.886%0.85677%0.771SS**  cis-161.7-174.9-11.9-16820.2000110.5
402N33Very low38Very low146 Ų146117 Ų11778%0.78178%0.778SS**  trans-32.7151.8174.1-166.717.3000120
403G31.2Very low36.9Very low76 Ų76117.9 Ų117.978%0.78478%0.776SS**  trans173.681.6172.800000119
404N31.3Very low35.7Very low159 Ų159121.5 Ų121.585%0.8578%0.783SS**  trans-68.8135.2-179.3161.380.7000117.6
405G29.3Very low34.6Very low69 Ų69126.9 Ų126.971%0.71179%0.791SS**  trans98.5142131.700000120.1
406G29.8Very low33.6Very low79 Ų79127.5 Ų127.581%0.81479%0.792SS**  trans153.2110.1164.300000117.9
407S30.4Very low33.7Very low120 Ų120129.4 Ų129.484%0.83980%0.803SS**  trans-30.2157.2151.7-61.10000116.7
408S31.8Very low33.7Very low120 Ų120125.8 Ų125.884%0.83980%0.802SS**  cis-1791592.840.60000112
409G34Very low34Very low80 Ų80126 Ų12683%0.82581%0.811SS**  trans119.3158.1148.600000117
410G32.9Very low34.2Very low75 Ų75123.9 Ų123.977%0.77381%0.811SS**  trans104.4135.8173.200000114.8
411P39.1Very low34.7Very low119 Ų119125.8 Ų125.877%0.77381%0.81SS**  trans-83.117217636-35.9000112.7D413P411-D413 PolarHBondContact O-N 2.67Å
412S43Very low35.1Very low120 Ų120123.6 Ų123.684%0.83980%0.804SS**  trans-78.8109.5175540000112.4
413D33.7Very low35.3Very low136 Ų136122.5 Ų122.573%0.72781%0.805SS**  trans-101.5142.8168.4-87.5-51000112.3P411P411-D413 PolarHBondContact O-N 2.67Å
414Q36.2Very low35.5Very low187 Ų187125 Ų12587%0.87481%0.808SS**  trans-86111.4-179.1-67.3174.6-16.700110.5T416Q414-T416 PolarHBondContact O-N 2.91Å
415Y33.4Very low35.8Very low227 Ų227125.4 Ų125.489%0.8981%0.809SS**  trans-84.2106.5177.6-99-92.3000112.7
416T37.2Very low36.2Very low124 Ų124127.5 Ų127.576%0.76181%0.81SS**PPolyproline II helixtrans-86.2128.2166.750.20000111.1Q414Q414-T416 PolarHBondContact O-N 2.91Å
417P39.3Very low36.6Very low125 Ų125129.7 Ų129.781%0.81281%0.81SS**PPolyproline II helixtrans-77.9150.5173.131.6-33.7000112.3
418A35.6Very low36.7Very low93 Ų93129.6 Ų129.677%0.76981%0.809SS**PPolyproline II helixtrans-82.2156.4-175.300000113.9
419P36.9Very low36.8Very low129 Ų129132 Ų13284%0.83881%0.812SS**PPolyproline II helixtrans-78.9163.5-177.632.5-36.6000114.3
420M38.5Very low36.7Very low180 Ų180131.3 Ų131.389%0.88780%0.804SS**  trans-121.6158.1176.6-79.3-156.7-62.100112
421P41Very low37.3Very low118 Ų118133.6 Ų133.677%0.76681%0.805SS**PPolyproline II helixtrans-81.3161.7-162.731.8-37.6000115.8
422P40.2Very low36.8Very low114 Ų114133.3 Ų133.374%0.7481%0.807SS**PPolyproline II helixtrans-82.3153.1-175.633-36.6000115
423P37Very low36.1Very low122 Ų122133.2 Ų133.279%0.79281%0.806SS**PPolyproline II helixtrans-84.9166.6173.735.3-35.4000113.8
424P34.7Very low35.8Very low130 Ų130130.7 Ų130.784%0.84481%0.812SS**PPolyproline II helixtrans-92.1167.3-161.936.4-38000116.7
425L37.6Very low35.5Very low166 Ų166127.5 Ų127.587%0.86981%0.81SS**PPolyproline II helixtrans-83.7150.7178.6-69.2165.4000113.9
426P38.4Very low35.4Very low114 Ų114120.9 Ų120.974%0.7480%0.803SS**PPolyproline II helixtrans-74.7160163.733.4-34.5000112
427P38.8Very low35.2Very low125 Ų125122 Ų12281%0.81280%0.804SS**PPolyproline II helixtrans-82.5149.5-165.132.3-36.6000114.9
428S31.3Very low34.9Very low117 Ų117123 Ų12382%0.81880%0.802SS**  trans-106138.1160.3176.90000109.3
429L33.7Very low34.5Very low171 Ų171127.6 Ų127.690%0.89581%0.805SS**  trans-139.2135.8171.4-82176.2000111.5
430G31.3Very low34.1Very low65 Ų65127.6 Ų127.667%0.6780%0.798SS**  trans-166.7-169.7157.200000107
431P47Very low34Very low123 Ų123123.6 Ų123.680%0.79979%0.788SS**  cis-113-159.1-21.540.1-27.5000110.2
432S27.3Very low33.3Very low114 Ų114122.9 Ų122.980%0.79778%0.782SS**  trans71.5149.4176.180.30000115.9
433S29.3Very low32.8Very low117 Ų117128.3 Ų128.382%0.81879%0.788SS**  cis-170.1141-21.347.70000109.7
434G27.7Very low32.6Very low83 Ų83128.3 Ų128.386%0.85678%0.781SS**  trans149.1145.6169.700000113
435S29.6Very low32.2Very low120 Ų120129.3 Ų129.384%0.83978%0.776SS**  trans-129.3129.2176.8-174.70000108.9
436A31.3Very low31.9Very low89 Ų89125.7 Ų125.774%0.73677%0.765SS**  trans176.6101158.500000111.1
437D33.9Very low31.5Very low146 Ų146128 Ų12878%0.78177%0.768SS**  32.3131.6128.4-42.4-33.8000122.7
438D33Very low31Very low146 Ų146125.9 Ų125.978%0.78176%0.756SS**  trans88.8158.1134-104-31.2000124.7
439F25.6Very low30.7Very low190 Ų190131.2 Ų131.283%0.83376%0.758SS**  trans71.3117.7-178.1-73.6-90.8000118.1
440N28.9Very low31Very low129 Ų129129.3 Ų129.369%0.6975%0.754SS**  cis104.912912.6-165.93.7000115.7
441S36.4Very low31.4Very low97 Ų97131.9 Ų131.968%0.67876%0.758SS**  trans70.1152.6166.1-68.10000116.9
442T26.5Very low30.6Very low103 Ų103133.8 Ų133.863%0.63276%0.761SS**  cis-148.4164.42.8-5.90000106.8
443W29.1Very low30.6Very low228 Ų228134.3 Ų134.386%0.86476%0.755SS**  cis-148135.438.7-64.675000108.4
444N33.4Very low30.6Very low121 Ų121134.1 Ų134.165%0.64775%0.753SS**  64.1127.163.4-146.918.4000112
445M27.2Very low30.7Very low151 Ų151134 Ų13474%0.74474%0.74SS**  cis-140.1-177.429.5-118.4-170.6-17200111.1
446S29.5Very low30.8Very low91 Ų91136 Ų13664%0.63674%0.74SS**  cis-165.5162.4429.10000112.4
447M31.3Very low30.8Very low163 Ų163138.4 Ų138.480%0.80374%0.741SS**  trans32.7147.7142.7-56.5-57176.300123.1
448S28.2Very low30.6Very low79 Ų79135.3 Ų135.355%0.55273%0.73SS**  cis-171.9155.7-21.651.70000107
449W24.4Very low30.6Very low230 Ų230133.8 Ų133.887%0.87173%0.732SS**  -171152.470.3-87.192.8000111.8
450T39.5Very low30.7Very low130 Ų130128.6 Ų128.680%0.79873%0.731SS**  trans-142.8152.4158.554.50000110.1
451P41Very low30.7Very low119 Ų119126.8 Ų126.877%0.77373%0.734SS**  trans-144.5162.3134.236.2-22000112.5
452L28.6Very low30.3Very low164 Ų164127.9 Ų127.986%0.85974%0.742SS**  cis-160160.3-20.6176.659.7000107.8
453D28.6Very low30.3Very low125 Ų125129 Ų12967%0.66875%0.754SS**  trans-57.1152.1175.7175.631.5000114.8S455D453-S455 PolarHBondContact OD1-N 3.29Å
454S28.8Very low30.3Very low112 Ų112122.8 Ų122.878%0.78375%0.745SS**  trans-157.755.9161.3-75.40000113.2
455S30.1Very low30.2Very low82 Ų82121 Ų12157%0.57374%0.742SS**  trans50.2138.4130.572.20000123.3D453D453-S455 PolarHBondContact OD1-N 3.29Å
456L32.1Very low30.2Very low162 Ų162124.2 Ų124.285%0.84875%0.747SS**  trans80.3103.7149.5-66.2167.3000122.4
457N31Very low30.2Very low138 Ų138123.2 Ų123.274%0.73875%0.745SS**  81.8107.9112.2-153.748.2000123.3
458S30.2Very low29.9Very low81 Ų81121.4 Ų121.457%0.56674%0.739SS**  trans60.1112.6136.575.80000123.8
459S32.1Very low29.8Very low115 Ų115125.4 Ų125.480%0.80475%0.749SS**  68.6124.7124.767.70000123.3
460G27.1Very low30Very low80 Ų80119.1 Ų119.183%0.82574%0.739SS**  trans95.8151.5152.500000116
461A28.6Very low29.9Very low92 Ų92119.4 Ų119.476%0.7674%0.741SS**  cis-162.6163-14.600000110.3
462S29.6Very low29.9Very low119 Ų119118.6 Ų118.683%0.83274%0.736SS**  trans37.8123.5152.8-52.40000121.3
463S26.8Very low29.9Very low126 Ų126118.3 Ų118.388%0.88174%0.735SS**  168178101.7-159.50000111.5
464S28.5Very low30.1Very low98 Ų98117.7 Ų117.769%0.68574%0.741SS**  trans-131.6172.9-168.562.80000114.4
465S29.9Very low30.8Very low83 Ų83118.1 Ų118.158%0.5874%0.741SS**  trans92.4143.5145.173.20000121.5
466Y28Very low31.6Very low219 Ų219120 Ų12086%0.85975%0.751SS**  trans71.4144.7168-49.5-68.3000118.6
467A29.6Very low31.7Very low70 Ų70120.7 Ų120.758%0.57975%0.75SS**  cis-171172.7-20.600000110.8
468N25.9Very low32Very low126 Ų126123.2 Ų123.267%0.67476%0.755SS**  trans76.6120.4155.6-63.1-41.3000118.1
469Q26.1Very low32.2Very low163 Ų163123.8 Ų123.876%0.76275%0.751SS**  91.1139.595.3-75.6178.146.200113
470S28.1Very low32.2Very low97 Ų97127.7 Ų127.768%0.67875%0.748SS**  cis-160160.1-6.3-820000109.7
471T37.9Very low32.4Very low136 Ų136133 Ų13383%0.83475%0.749SS**  trans-78.2146.5157.538.70000110.7
472P40.5Very low32.4Very low103 Ų103133.3 Ų133.367%0.66975%0.751SS**  -151.6151.6119.736-18.4000117.1
473N27.6Very low32.2Very low158 Ų158133.7 Ų133.785%0.84575%0.754SS**  trans60.4117.1142.5-57.5-1.1000122.9
474S34.5Very low32.4Very low111 Ų111132.9 Ų132.978%0.77675%0.748SS**  trans-71.7170.4139.4-32.80000110.1
475P42.8Very low32.3Very low121 Ų121135.1 Ų135.179%0.78676%0.758SS**  cis-136.1-150.631.241.1-17.5000111.4
476P46.1Very low32.3Very low123 Ų123135.9 Ų135.980%0.79977%0.769SS**  cis-138.2-169.2-1.744.2-23.8000117.6
477H35.7Very low32.4Very low176 Ų176129.4 Ų129.482%0.81576%0.761SS**  trans-75.3155.2-178.5-130.8-47.3000115.7
478F36.7Very low33.1Very low191 Ų191131.8 Ų131.884%0.83877%0.77SS**  trans172.8172.9140.8-108.5-142.8000110.1
479D33.6Very low33.5Very low93 Ų93132.1 Ų132.150%0.49777%0.771SS.*  cis-170151.6-45.9-178.225.9000109
480R32.3Very low33.8Very low196 Ų196131.4 Ų131.474%0.7477%0.768SS**  trans67.6154.6168.8-68.8154.9-164.2-160-1.7118.4
481K30.9Very low33.7Very low193 Ų193134.6 Ų134.684%0.83977%0.766SS**  cis-158.1172.52.4-130.2168.5-177.1-172.50112
482A28.5Very low33.4Very low97 Ų97133 Ų13380%0.80275%0.752SS**  trans-111.8172.1177.800000114.2
483S25.9Very low32.6Very low127 Ų127135.3 Ų135.389%0.88875%0.754SS**  trans-152.8159158.1-164.60000110.7
484S30.4Very low32.7Very low109 Ų109132.7 Ų132.776%0.76274%0.74SS**  trans-151.7153.6-163.156.90000115
485T28Very low32.4Very low145 Ų145135.8 Ų135.889%0.8975%0.746SS**  trans-161.1140.4165.1300000108.6
486A30Very low31.7Very low100 Ų100137.1 Ų137.183%0.82674%0.742SS**  cis-153.9160.6-600000110.8
487A30.2Very low30.9Very low82 Ų82137.5 Ų137.568%0.67874%0.742SS**  trans-106.5172174.400000111.7
488P43.3Very low30.5Very low120 Ų120136.1 Ų136.178%0.77974%0.741SS**  -125.8142.391.43.719000113.1
489I35.2Very low30.7Very low133 Ų133132.1 Ų132.168%0.68273%0.734SS**  79.6131.262-72167.9000111.6
490E30.6Very low30.4Very low149 Ų149132.5 Ų132.570%0.69675%0.75SS**  cis-162.4-177.3-5.8-114.1162.6-149.100107.9
491Y26.2Very low30.3Very low163 Ų163127.6 Ų127.664%0.63975%0.751SS**  cis-143.6152.610.9-146.4-118.1000106.1E493Y491-E493 HydrophobicContact CD1-CG 4.43Å; Y491-E493 HydrophobicContact CE1-CG 4.01Å
492N31.5Very low30.1Very low103 Ų103126.9 Ų126.955%0.55176%0.756SS**  61.514364.8-103.47.1000115.5L494N492-L494 WeakPolarHBondContact OD1-CD1 3.44Å
493E25.2Very low29.9Very low151 Ų151125.7 Ų125.771%0.70675%0.753SS**  cis-131.3146.312.5-70.2-171.1124.400110.6Y491Y491-E493 HydrophobicContact CD1-CG 4.43Å; Y491-E493 HydrophobicContact CE1-CG 4.01Å
494L29.5Very low30.1Very low104 Ų104124 Ų12455%0.54575%0.746SS.*  74.8118.753.1-72175000116.2N492N492-L494 WeakPolarHBondContact OD1-CD1 3.44Å
495L28.2Very low30.1Very low175 Ų175127.5 Ų127.592%0.91675%0.751SS**  -161138115.1-109.8168.3000112
496H28.8Very low30.2Very low149 Ų149127.5 Ų127.569%0.6975%0.745SS**  trans-112.5162.5-179.9-69.7-102.8000111.6
497T27.8Very low30.7Very low132 Ų132128.5 Ų128.581%0.8174%0.741SS**  trans164.6152.1134.533.90000108.6
498N27.9Very low30.8Very low146 Ų146131.5 Ų131.578%0.78175%0.746SS**  cis-149.7169.7-2.6-135.314.5000109.3
499P40.1Very low30.5Very low108 Ų108133.2 Ų133.270%0.70174%0.743SS**  trans-96.4156.4-17737-33.5000115.4
500A29Very low30.5Very low101 Ų101138.8 Ų138.884%0.83576%0.755SS**  trans31.2125.2150.100000122.1
501A28.7Very low30.7Very low92 Ų92138 Ų13876%0.7676%0.761SS**  -173.5139.9116.900000113.9
502L27.6Very low30.9Very low178 Ų178138.6 Ų138.693%0.93277%0.774SS**  trans36.4118.6145.3-59.7171.4000121.5
503G24.5Very low30.6Very low73 Ų73142.6 Ų142.675%0.75379%0.79SS**  111.8129.7117.800000119.4
504A30.1Very low31Very low90 Ų90143.7 Ų143.774%0.74480%0.799SS**  trans62.1141.8155.300000120.4
505E29.5Very low31.2Very low184 Ų184144.2 Ų144.286%0.8681%0.809SS**  trans63.8160.5157.8-67.7160-172.400115.7
506D30Very low31.8Very low144 Ų144141.6 Ų141.677%0.7780%0.803SS**  cis-139.9167.4-4.9-150.2-12.1000111.1
507V40.3Very low31.8Very low121 Ų121139.1 Ų139.173%0.73381%0.808SS**  trans-107.5117.6170.6175.90000109.4
508D33.8Very low31.7Very low145 Ų145141.8 Ų141.878%0.77581%0.808SS**  trans-147.7158.6160.8-149-6.5000114.1
509H36.8Very low31.6Very low157 Ų157142.5 Ų142.573%0.72781%0.807SS**  trans-94.1151-163.2-53.1-83.6000113.2
510R35.3Very low30.9Very low249 Ų249147.5 Ų147.594%0.9482%0.818SS**  trans-148.7120.1150.1-114.7159.2-151.5-129.71.1114.3
511T33.2Very low30.7Very low133 Ų133145.6 Ų145.682%0.81681%0.808SS**  trans-74.7147.7170.619.70000111.7
512L30.4Very low30.8Very low175 Ų175145.5 Ų145.592%0.91681%0.808SS**  trans-129.1154.8161.1-74.3176.5000110.2
513Q26.4Very low31Very low187 Ų187146.5 Ų146.587%0.87481%0.805SS**  trans-105.7154.3-165.2-63172.4-48.400112.6
514L33.9Very low31.2Very low174 Ų174151.2 Ų151.291%0.91181%0.812SS**  trans-118.8135.2166-70.3173.2000110.4
515P32.4Very low31.1Very low115 Ų115150 Ų15075%0.74781%0.808SS**  trans-137.5178.5154.545.9-32000110.9
516P41.3Very low31.1Very low121 Ų121149.7 Ų149.779%0.78681%0.811SS**  -137.9163.6-88.834.9-14.6000115.6
517A29Very low31.3Very low96 Ų96148.3 Ų148.379%0.79381%0.813SS**  trans-150.9127.2160.100000113.8
518F25.9Very low30.7Very low188 Ų188152 Ų15283%0.82582%0.819SS**  trans-24.3162.1158.6-58.9-85.6000118.6
519E25Very low30.4Very low161 Ų161152.4 Ų152.475%0.75282%0.821SS**  cis174.2142.2-30.1-131.8-169.9158.400106
520F26.2Very low30.3Very low213 Ų213154 Ų15493%0.93483%0.826SS**  trans-164.7134.4144.7-127.8-89.9000111
521G25.4Very low30.1Very low61 Ų61148.1 Ų148.163%0.62982%0.823SS**  trans-104.4-170.5171.200000112
522A30.7Very low30.1Very low91 Ų91153 Ų15375%0.75283%0.827SS**  cis-165.3179.7-0.600000109.5
523K30.4Very low30.3Very low199 Ų199153.6 Ų153.687%0.86583%0.825SS**  trans78.3127-179.6-50.4169.8-178.1174.30112.5
524L29.7Very low30.7Very low172 Ų172153 Ų15390%0.90183%0.827SS**  cis-134.9168.83.3-66.8174000109.7
525G27.4Very low31Very low64 Ų64150.6 Ų150.666%0.6682%0.819SS**  cis144113.4-7.800000113.1
526L30.4Very low31.1Very low178 Ų178152.4 Ų152.493%0.93282%0.822SS**  trans67.9140.4-174.1-55.7172.2000115
527S32.4Very low30.8Very low115 Ų115154.6 Ų154.680%0.80483%0.825SS**  cis-152.8157.4-15.949.40000110.6
528K28.6Very low31.3Very low198 Ų198156.8 Ų156.886%0.86182%0.824SS**  trans-100.7126.2-166.5168.4-172.7179-179.80112
529D28.4Very low32Very low153 Ų153157.1 Ų157.182%0.81883%0.828SS**  trans-167.8159.2145.8-114.6-27.8000115.2
530K33.5Very low32.7Very low190 Ų190159.3 Ų159.383%0.82683%0.829SS**  trans54.283.8170.7-68.5-172.9175.7-176.50119
531S31.2Very low33.3Very low126 Ų126157.1 Ų157.188%0.88183%0.827SS**  trans-124.558.2150.9-53.90000111.6
532R33.6Very low33.8Very low236 Ų236162.3 Ų162.389%0.89184%0.84SS**  trans-154.592.4168.4-76.9-161.8176.6-128.6-3.4111
533Q33.4Very low34Very low187 Ų187166.1 Ų166.187%0.87485%0.845SS**  trans163.795.5151.6-97.3177.3-49.200109.5
534L35.4Very low34.2Very low176 Ų176161.5 Ų161.592%0.92184%0.838SS**  trans-148.358.6161.7-80.4-173000109.7
535V40.8Very low34.1Very low122 Ų122161 Ų16174%0.73984%0.835SS**  trans-131.4157.4154.5-173.20000104.8
536D34.1Very low34.3Very low154 Ų154163.8 Ų163.882%0.82484%0.84SS**  trans73.1104.3-175-46.6-34.5000115.5
537I36Very low34.2Very low166 Ų166159.1 Ų159.185%0.85184%0.835SS**  trans-130.6125.3154.1-65.2-176.5000107.4
538D39Very low34.2Very low142 Ų142159.2 Ų159.276%0.75984%0.836SS**  trans-86148.4-159.9-137.5-23.4000114.3R540D538-R540 PolarHBondContact O-N 2.88Å
539H40.4Very low34.9Very low195 Ų195156 Ų15690%0.90384%0.835SS**  trans-8159.4179-66.2-80.1000112.3
540R40.1Very low34.8Very low208 Ų208152.9 Ų152.979%0.78584%0.839SS**  trans-14184.3-168.7-160175.8-172.7-171.72.1115.6D538D538-R540 PolarHBondContact O-N 2.88Å
541N38.6Very low34.6Very low167 Ų167147.7 Ų147.789%0.89384%0.84SS**  trans-165.486.4144.5-97.7-31.1000112
542L36.6Very low34.6Very low170 Ų170146.5 Ų146.589%0.8984%0.837SS**  trans-105.6128.8154.7-74.6173.4000108
543I33.4Very low34.4Very low170 Ų170142.6 Ų142.687%0.87283%0.829SS**  trans-164.6143.3152.4-104.8153.4000108.5
544S35.2Very low34.3Very low102 Ų102141.9 Ų141.971%0.71382%0.823SS**  trans-100.4142.7-169.9-48.30000113
545L28.5Very low34Very low161 Ų161139.3 Ų139.384%0.84381%0.81SS**  trans-141.6114.3152.2-66174.7000106.1
546T31.7Very low33.3Very low123 Ų123142.7 Ų142.776%0.75582%0.815SS**  5698.152.477.30000113.4
547G28.2Very low33.1Very low80 Ų80141.8 Ų141.883%0.82582%0.815SS**  trans16871.4175.300000116.6
548S30.7Very low32.7Very low118 Ų118137.4 Ų137.483%0.82581%0.811SS**  trans-99.8144.5155.2-61.30000108.6
549P43.5Very low32.2Very low130 Ų130134.4 Ų134.484%0.84481%0.814SS**  -150.4145.2109.436.4-19.9000116.4
550G27.6Very low31.6Very low87 Ų87132.6 Ų132.690%0.89781%0.811SS**  trans83.6142.6155.100000117.6
551G28.8Very low31.2Very low82 Ų82128.4 Ų128.485%0.84581%0.808SS**  cis150.5102-11.400000114.7
552A30.7Very low30.8Very low100 Ų100125.9 Ų125.983%0.82679%0.794SS**  trans172.7149.5160.300000109.1
553E29.8Very low30.3Very low155 Ų155127.6 Ų127.672%0.72479%0.791SS**  cis-173.3144.6-29.3-113.3-102.5140.300106.7
554K31.5Very low30.1Very low172 Ų172129.4 Ų129.475%0.74879%0.786SS**  trans71.9149.6170.8-58171.9-174.9175.10119.8
555D28.8Very low29.7Very low122 Ų122132.4 Ų132.465%0.65279%0.793SS**  cis-178.2153.4-45.9-99.3-34.6000109.2
556F25.7Very low30Very low192 Ų192130.2 Ų130.284%0.84279%0.786SS**  trans3.5149.2155.7-65.6-90.9000121.1
557T29.9Very low30Very low135 Ų135130.3 Ų130.383%0.82879%0.788SS**  cis-139.7174.222.9540000111.2
558G27.4Very low30.1Very low74 Ų74131.3 Ų131.376%0.76378%0.783SS**  cis123.2123.12.200000112.8
559G29.2Very low30.6Very low79 Ų79131 Ų13181%0.81478%0.778SS**  trans89.6127.6179.900000114.5
560D27.1Very low29.9Very low158 Ų158131.1 Ų131.185%0.84577%0.772SS**  cis109.3150.24.4-158.225.6000117
561V32.6Very low29.9Very low119 Ų119132.9 Ų132.972%0.72176%0.761SS**  trans82.7141.6169.6-159.60000119.7
562D29.2Very low29.9Very low114 Ų114137.3 Ų137.361%0.6176%0.759SS**  trans-88.5167.9-172.7-164.3-2.6000113.5
563Y27.2Very low29.8Very low206 Ų206136 Ų13681%0.80876%0.756SS**  159.5159.6126.1-85.3-62.7000115
564R28Very low29.8Very low208 Ų208135.6 Ų135.679%0.78576%0.757SS**  trans-106.8151.4-164-51.2165.4-179.6173-6.7112.9
565I28.7Very low29.6Very low166 Ų166135.5 Ų135.585%0.85176%0.761SS**  173.9156.3115.4-91.2164.2000111.7
566V32.9Very low29.9Very low115 Ų115133.7 Ų133.770%0.69776%0.763SS**  trans-82.1168.7-173.6-141.20000112.6
567P33.5Very low30.7Very low124 Ų124130.1 Ų130.181%0.80576%0.759SS**  -142.9148.297.238-24.3000116
568S30Very low31.1Very low102 Ų102129.4 Ų129.471%0.71376%0.757SS**  trans-94.8172158.3-50.50000109.7
569P40.1Very low31.2Very low112 Ų112129.2 Ų129.273%0.72776%0.755SS**  -149.8156.98737.4-19.4000117.2
570N29Very low31.1Very low132 Ų132132.3 Ų132.371%0.70675%0.753SS**  trans68.3151.8145.7-71.738.7000120.5
571D29Very low31.2Very low124 Ų124131.3 Ų131.366%0.66375%0.748SS**  cis-148.6165.85.9-127.6-31.6000115.8
572E27.3Very low31Very low174 Ų174136.1 Ų136.181%0.81375%0.754SS**  trans43.4133.3161.3-56.7-173.7144.800120.6
573G28.4Very low30.8Very low73 Ų73134.6 Ų134.675%0.75376%0.758SS**  cis177.7-1412.400000108.8
574I29.9Very low30.7Very low146 Ų146134.9 Ų134.975%0.74976%0.763SS**  cis-155.2135-6.6-56.3177.4000108.7
575M28.5Very low30.6Very low171 Ų171130.3 Ų130.384%0.84276%0.763SS**  trans58.7127.3157.3-76.2179.5154.500126
576A34.3Very low30.5Very low84 Ų84131.9 Ų131.969%0.69476%0.764SS**  -99.1-166.2125.800000108
577P43.5Very low30.1Very low117 Ų117132.1 Ų132.176%0.7677%0.766SS**  cis-130.6-1220.135.2-9.2000109.2
578P37.9Very low29.6Very low119 Ų119131.4 Ų131.477%0.77376%0.762SS**  cis-125.1-171-39.836.2-17.5000113.4
579G29.6Very low29.4Very low71 Ų71131.8 Ų131.873%0.73277%0.765SS**  trans-120.6170.6153.100000111.2
580N25.8Very low29.7Very low144 Ų144131.3 Ų131.377%0.7776%0.762SS**  trans-157157.5156.4-147.9-6.6000113.5
581N30.1Very low29.5Very low136 Ų136131.4 Ų131.473%0.72776%0.762SS**  trans-80.4165.2176-68.8-66.8000112.8
582Y27.9Very low29.5Very low220 Ų220129.1 Ų129.186%0.86375%0.746SS**  trans171142.3142.3-84-49.9000108.1
583A24.6Very low29.6Very low82 Ų82122.9 Ų122.968%0.67872%0.722SS**  cis-149.9-159.4-4.200000107.4
584K26.3Very low29.5Very low212 Ų212126.4 Ų126.492%0.92272%0.723SS**  cis-174.2158.234.2-136.9157.5-168.8167.70110.2
585S25.4Very low29.4Very low113 Ų113123.8 Ų123.879%0.7972%0.723SS**  trans-118151.4-18054.60000114
586K26.3Very low29.4Very low198 Ų198121.4 Ų121.486%0.86172%0.723SS**  trans170.6154.7164-109.8-171.4177-173.30110.3
587T24.7Very low29.1Very low120 Ų120123.2 Ų123.274%0.73673%0.731SS**  cis-148.9-176.5-9.9-23.50000109.2
588C22.9Very low28.4Very low109 Ų109122 Ų12274%0.73673%0.726SS**  trans-87.9144.7-174.8-47.20000115.9
589S24.9Very low28Very low111 Ų111121.3 Ų121.378%0.77672%0.724SS**  37.5178.2120.8-29.70000122.1
590P46.7Very low28.1Very low102 Ų102126 Ų12666%0.66273%0.726SS**  cis-141.5-166-3.127.6-0.3000116.5
591L26.2Very low28.3Very low133 Ų133124.5 Ų124.570%0.69673%0.727SS**  trans85.3149155.7-45.7-175000119
592K28.4Very low28.4Very low77 Ų77124.1 Ų124.134%0.33573%0.725SS.*  cis-167.3147.1-13.3-118.2164174.31620115.7S360 D362S360-K592 WeakPolarHBondContact OG-CG 3.28Å; D362-K592 PolarHBondContact O-NZ 3.33Å; D362-K592 WeakPolarHBondContact OD1-CE 3.47Å; D362-K592 IonicContact OD1-NZ 3.59Å; D362-K592 PolarHBondContact OD1-NZ 2.85Å; D362-K592 WeakPolarHBondContact OD2-CD 3.4Å; D362-K592 WeakPolarHBondContact OD2-CE 3.36Å; D362-K592 IonicContact OD2-NZ 3.31Å; D362-K592 PolarHBondContact OD2-NZ 3.4Å
593S29.3Very low28.5Very low43 Ų43123 Ų12330%0.30172%0.719SS.*  trans47132139.568.50000125.2S360S360-S593 WeakPolarHBondContact O-CB 3.15Å; S360-S593 PolarHBondContact OG-N 3.06Å
594N27.4Very low29Very low147 Ų147125.9 Ų125.979%0.78673%0.728SS**  178.4153107.6-102.3-20.7000118.4
595A27.6Very low29.2Very low91 Ų91122.8 Ų122.875%0.75272%0.722SS**  trans75.3162.5152.600000121.8
596S27.8Very low29.5Very low120 Ų120121.3 Ų121.384%0.83972%0.724SS**  trans-155.9-175.2-161.9-45.10000112.9
597S27.9Very low29.8Very low123 Ų123116.3 Ų116.386%0.8672%0.72SS**  trans86.9143.6165.4-150.30000116.5
598S29Very low30.4Very low92 Ų92117.4 Ų117.464%0.64373%0.726SS**  cis-171.4167.8-17.71730000111.2
599S29.3Very low31Very low104 Ų104124 Ų12473%0.72774%0.736SS**  trans80.9160.5153.5-48.50000120.3
600E31.3Very low32Very low170 Ų170128.3 Ų128.379%0.79474%0.737SS**  cis-170.6160.6-45.5-166.5156.8115.600109.3
601S31.3Very low31.6Very low111 Ų111128.2 Ų128.278%0.77673%0.731SS**  trans71.2145.8167.6790000117.7
602D30.7Very low32.3Very low129 Ų129127.4 Ų127.469%0.6973%0.733SS**  cis-149.3-175.9-14.7-142.4-40.5000111.5
603R31.5Very low32.9Very low195 Ų195126.7 Ų126.774%0.73674%0.742SS**  trans-80.5164.8-165.4-58.9155.4178.784.2-4.1116.6
604V33.5Very low33.7Very low144 Ų144131.7 Ų131.787%0.87377%0.765SS**  -158.3145.5109.2143.10000109.5
605D32.3Very low34.5Very low146 Ų146130.5 Ų130.578%0.78176%0.756SS**  trans-87.5162.6-168.6-63.7-86.4000115.7
606G29.8Very low35Very low82 Ų82132 Ų13285%0.84576%0.756SS**  trans-172.538177.800000115.5
607A32.4Very low35.7Very low93 Ų93132.6 Ų132.677%0.76975%0.748SS**  trans-111.2107-173.100000113.5R609A607-R609 PolarHBondContact O-N 3.02Å
608T38.7Very low36.2Very low143 Ų143133.3 Ų133.388%0.87774%0.742SS**PPolyproline II helixtrans-68.9118.716045.80000109.1
609R35Very low36.9Very low248 Ų248137.4 Ų137.494%0.93675%0.753SS**PPolyproline II helixtrans-70.3136.1174.7-68-176.1178.4-172-0.4110A607A607-R609 PolarHBondContact O-N 3.02Å
610Y46.6Very low37.5Very low201 Ų201138.9 Ų138.979%0.78875%0.753SS**PPolyproline II helixtrans-91.4127168.5-155.2-81.1000107.7
611D38.7Very low38.1Very low101 Ų101137.1 Ų137.154%0.5475%0.747SS.*PPolyproline II helixtrans-95127.8177.3-158-52000109.9A613D611-A613 PolarHBondContact O-N 3.37Å; D611-A613 WeakPolarHBondContact OD1-CB 3.43Å; D611-A613 PolarHBondContact OD1-N 2.97Å
612P40.8Very low38.7Very low115 Ų115134.1 Ų134.175%0.74773%0.726SS**THydrogen-bonded Turntrans-67.1-10.5176.1-21.634.5000115.3
613A40.8Very low39.3Very low62 Ų62135 Ų13551%0.51273%0.731SS.*THydrogen-bonded Turntrans-73.9-29.3-176.300000114.6D611 M615D611-A613 PolarHBondContact O-N 3.37Å; D611-A613 WeakPolarHBondContact OD1-CB 3.43Å; D611-A613 PolarHBondContact OD1-N 2.97Å; A613-M615 PolarHBondContact O-N 3.15Å
614D46Very low39.9Very low149 Ų149132.4 Ų132.480%0.79773%0.731SS**THydrogen-bonded Turntrans-77.424.2-174.2-74.9-16.4000114.3
615M43.3Very low40.6Very low122 Ų122129.4 Ų129.460%0.60171%0.71SS**THydrogen-bonded Turntrans-117.123.2-179.2-77.2-69.7-5700113.1A613 I617A613-M615 PolarHBondContact O-N 3.15Å; M615-I617 PolarHBondContact O-N 2.94Å; M615-I617 VanDerWaalsContact O-N 3.15Å
616V39.4Very low41.3Very low123 Ų123125.7 Ų125.775%0.74569%0.689SS**  trans-72.9102.5166.9-176.10000108.2
617I41.9Very low42.1Very low132 Ų132127.1 Ų127.168%0.67768%0.678SS**  trans-82.6115.9169.3-61.1172.8000106.8M615 M619M615-I617 PolarHBondContact O-N 2.94Å; M615-I617 VanDerWaalsContact O-N 3.15Å; I617-M619 PolarHBondContact O-N 3Å
618D37.3Very low42.6Very low137 Ų137128 Ų12873%0.73367%0.666SS**  trans-57.7128.8170.3-70.2-48.2000109.3
619M45.4Very low42.7Very low178 Ų178125.5 Ų125.588%0.87766%0.655SS**  trans-117.123-164.6-158.7160.55700112.4I617 M621I617-M619 PolarHBondContact O-N 3Å; M619-M621 VanDerWaalsContact C-N 3.34Å; M619-M621 PolarHBondContact O-N 3Å
620D41.1Very low43.3Very low135 Ų135119 Ų11972%0.72264%0.638SS**  trans-91.358.3175.163.9-34.8000112.2S622D620-S622 PolarHBondContact O-N 3.16Å; D620-S622 VanDerWaalsContact O-N 3.16Å
621M43Very low42.9Very low133 Ų133117.3 Ų117.366%0.65563%0.63SS**  trans-46.5122.4166.3-73.3-87.3-6500110M619 D625M619-M621 VanDerWaalsContact C-N 3.34Å; M619-M621 PolarHBondContact O-N 3Å; M621-D625 HydrophobicContact CE-CB 3.92Å; M621-D625 HydrophobicContact SD-CB 4.36Å
622S44.2Very low43Very low48 Ų48120.9 Ų120.934%0.33664%0.644SS.*  trans-73.7159179.274.50000110.9D620 D624 D625D620-S622 PolarHBondContact O-N 3.16Å; D620-S622 VanDerWaalsContact O-N 3.16Å; S622-D624 PolarHBondContact O-N 2.7Å; S622-D624 PolarHBondContact OG-N 3.16Å; S622-D625 WeakPolarHBondContact CB-OD2 3.4Å; S622-D625 PolarHBondContact N-OD2 2.72Å; S622-D625 PolarHBondContact O-N 3.31Å; S622-D625 PolarHBondContact OG-N 3.49Å; S622-D625 PolarHBondContact OG-OD2 2.75Å
623D44.5Very low42.6Very low149 Ų149121.4 Ų121.480%0.79765%0.647SS**Hα-helixtrans-61.7-22.3173.8-98.5-29.1000111.5
624D44.3Very low42.2Very low139 Ų139127.2 Ų127.274%0.74366%0.661SS**Hα-helixtrans-73.9-36.6177.4-66.8-55.8000112.8S622 I626 D627S622-D624 PolarHBondContact O-N 2.7Å; S622-D624 PolarHBondContact OG-N 3.16Å; D624-I626 PolarHBondContact O-N 3.38Å; D624-D627 PolarHBondContact O-N 2.7Å
625D47.4Very low41.5Very low81 Ų81128.8 Ų128.843%0.43366%0.663SS.*Hα-helixtrans-63.3-26.7178.5-64.3-65.5000112.5M621 S622 S629M621-D625 HydrophobicContact CE-CB 3.92Å; M621-D625 HydrophobicContact SD-CB 4.36Å; S622-D625 WeakPolarHBondContact CB-OD2 3.4Å; S622-D625 PolarHBondContact N-OD2 2.72Å; S622-D625 PolarHBondContact O-N 3.31Å; S622-D625 PolarHBondContact OG-N 3.49Å; S622-D625 PolarHBondContact OG-OD2 2.75Å; D625-S629 PolarHBondContact O-N 3.19Å
626I47.7Very low40.7Very low68 Ų68129.8 Ų129.835%0.34967%0.671SS.*Hα-helixtrans-74.4-35.7-177.2-65.9177.4000111.4D624 S629 L630D624-I626 PolarHBondContact O-N 3.38Å; I626-S629 PolarHBondContact O-N 3.29Å; I626-S629 PolarHBondContact O-OG 3.34Å; I626-L630 HydrophobicContact CG2-CD1 4.5Å; I626-L630 PolarHBondContact O-N 3.11Å
627D45.8Very low40.5Very low113 Ų113130.9 Ų130.960%0.60467%0.673SS**Hα-helixtrans-75.9-28.5179.7-114.725.3000112.1D624 S629 L630 R631D624-D627 PolarHBondContact O-N 2.7Å; D627-S629 VanDerWaalsContact C-N 3.29Å; D627-S629 PolarHBondContact O-N 2.91Å; D627-L630 PolarHBondContact O-N 3.01Å; D627-L630 VanDerWaalsContact O-N 3.14Å; D627-R631 PolarHBondContact O-N 3.33Å
628E43.5Very low40Very low111 Ų111127.8 Ų127.852%0.51967%0.673SS.*Hα-helixtrans-62.8-37.2169.3-15965.4-115.200111.1L630 R631E628-L630 PolarHBondContact O-N 2.89Å; E628-R631 PolarHBondContact O-N 2.82Å; E628-R631 WeakPolarHBondContact OE1-CD 3.39Å; E628-R631 IonicContact OE1-CZ 3.9Å; E628-R631 IonicContact OE1-NE 3.31Å; E628-R631 IonicContact OE1-NH1 3.42Å; E628-R631 PolarHBondContact OE1-NH1 2.98Å; E628-R631 IonicContact OE2-CZ 2.69Å; E628-R631 VanDerWaalsContact OE2-CZ 3.31Å; E628-R631 IonicContact OE2-NH1 2.74Å; E628-R631 PolarHBondContact OE2-NH1 2.86Å; E628-R631 IonicContact OE2-NH2 2.71Å
629S40.6Very low39.8Very low91 Ų91129 Ų12964%0.63668%0.68SS**THydrogen-bonded Turntrans-69.8-10.817585.10000114.9D625 I626 D627D625-S629 PolarHBondContact O-N 3.19Å; I626-S629 PolarHBondContact O-N 3.29Å; I626-S629 PolarHBondContact O-OG 3.34Å; D627-S629 VanDerWaalsContact C-N 3.29Å; D627-S629 PolarHBondContact O-N 2.91Å
630L46.6Very low39.2Very low111 Ų111124 Ų12458%0.58167%0.667SS**THydrogen-bonded Turntrans-110.80.8-178-78.8169000113.8I626 D627 E628 E632I626-L630 HydrophobicContact CG2-CD1 4.5Å; I626-L630 PolarHBondContact O-N 3.11Å; D627-L630 PolarHBondContact O-N 3.01Å; D627-L630 VanDerWaalsContact O-N 3.14Å; E628-L630 PolarHBondContact O-N 2.89Å; L630-E632 PolarHBondContact O-N 3.26Å
631R37.7Very low39Very low165 Ų165127.1 Ų127.162%0.62368%0.677SS**  trans-70.7113.7165.2-67-175-173145.111.8109.2D627 E628D627-R631 PolarHBondContact O-N 3.33Å; E628-R631 PolarHBondContact O-N 2.82Å; E628-R631 WeakPolarHBondContact OE1-CD 3.39Å; E628-R631 IonicContact OE1-CZ 3.9Å; E628-R631 IonicContact OE1-NE 3.31Å; E628-R631 IonicContact OE1-NH1 3.42Å; E628-R631 PolarHBondContact OE1-NH1 2.98Å; E628-R631 IonicContact OE2-CZ 2.69Å; E628-R631 VanDerWaalsContact OE2-CZ 3.31Å; E628-R631 IonicContact OE2-NH1 2.74Å; E628-R631 PolarHBondContact OE2-NH1 2.86Å; E628-R631 IonicContact OE2-NH2 2.71Å
632E40.9Very low39Very low177 Ų177128 Ų12883%0.82768%0.682SS**  trans-57.6143.2162.5-65.4-17114400109L630 K634L630-E632 PolarHBondContact O-N 3.26Å; E632-K634 VanDerWaalsContact C-N 3.28Å; E632-K634 PolarHBondContact O-N 3.11Å
633P33.9Very low39Very low125 Ų125130 Ų13081%0.81269%0.69SS**  trans-64.397.616728.5-32.7000107.4E635P633-E635 PolarHBondContact O-N 3.14Å; P633-E635 VanDerWaalsContact O-N 3.15Å
634K30.8Very low39Very low185 Ų185127.8 Ų127.880%0.80469%0.692SS**  trans-54.8121.2172.5-167.6-177.9-176.1-169.20106.9E632 D636E632-K634 VanDerWaalsContact C-N 3.28Å; E632-K634 PolarHBondContact O-N 3.11Å; K634-D636 PolarHBondContact O-N 3.39Å
635E31.4Very low39.2Very low181 Ų181128.5 Ų128.585%0.84670%0.695SS**  trans-64.393.3172.8-71.4-173.2152.100107.8P633 N637P633-E635 PolarHBondContact O-N 3.14Å; P633-E635 VanDerWaalsContact O-N 3.15Å; E635-N637 PolarHBondContact O-N 2.99Å
636D27.6Very low38.8Very low143 Ų143127.4 Ų127.477%0.76570%0.704SS**  trans-70.2112.6172.6-156.137.8000106.7K634 G638K634-D636 PolarHBondContact O-N 3.39Å; D636-G638 PolarHBondContact O-N 2.95Å
637N34.9Very low38.3Very low147 Ų147127.8 Ų127.879%0.78672%0.717SS**  trans-70.390.9173-76.5-76.6000106.3E635 D639E635-N637 PolarHBondContact O-N 2.99Å; N637-D639 PolarHBondContact O-N 3.09Å
638G31.4Very low37.6Very low66 Ų66130.1 Ų130.168%0.6873%0.729SS**  trans-55.4108.8179.300000110.1D636 A640D636-G638 PolarHBondContact O-N 2.95Å; G638-A640 PolarHBondContact O-N 3.07Å; G638-A640 VanDerWaalsContact O-N 3.11Å
639D32.1Very low37.1Very low164 Ų164130.7 Ų130.788%0.87774%0.74SS**  trans-57.7116172.6-83.6-45.4000108.1N637 E641N637-D639 PolarHBondContact O-N 3.09Å; D639-E641 PolarHBondContact O-N 3.32Å; D639-E641 VanDerWaalsContact O-N 3.12Å
640A34.2Very low36.8Very low73 Ų73132.6 Ų132.660%0.60375%0.75SS**  trans-74.3104.9-178.300000109.5G638 I642G638-A640 PolarHBondContact O-N 3.07Å; G638-A640 VanDerWaalsContact O-N 3.11Å; A640-I642 PolarHBondContact O-N 2.82Å
641E35.8Very low36.1Very low200 Ų200133.2 Ų133.294%0.93576%0.764SS**PPolyproline II helixtrans-59.8123.2163.8-75.3-159.2126.800109.2D639D639-E641 PolarHBondContact O-N 3.32Å; D639-E641 VanDerWaalsContact O-N 3.12Å
642I42.9Very low35.8Very low150 Ų150136 Ų13677%0.76977%0.774SS**PPolyproline II helixtrans-88.6116.3179.8-64.2172000107.6A640A640-I642 PolarHBondContact O-N 2.82Å
643D45.8Very low35.3Very low92 Ų92133.9 Ų133.949%0.49278%0.775SS.*PPolyproline II helixtrans-68162.5169.395.4-29.5000110.9N645 G646D643-N645 PolarHBondContact O-N 2.88Å; D643-N645 PolarHBondContact OD1-N 3.16Å; D643-G646 PolarHBondContact O-N 2.81Å; D643-G646 PolarHBondContact OD1-N 3.25Å
644A43.4Very low35.1Very low102 Ų102134 Ų13484%0.84377%0.774SS**THydrogen-bonded Turntrans-68.55-171.600000115.3
645N48Very low35.1Very low153 Ų153132.9 Ų132.982%0.81878%0.776SS**THydrogen-bonded Turntrans-128.8-6176.5-65.9-75.6000114.4D643D643-N645 PolarHBondContact O-N 2.88Å; D643-N645 PolarHBondContact OD1-N 3.16Å
646G39.3Very low35Very low59 Ų59131.8 Ų131.861%0.60878%0.775SS**  trans77.839.316100000116.1D643D643-G646 PolarHBondContact O-N 2.81Å; D643-G646 PolarHBondContact OD1-N 3.25Å
647A36.7Very low35.1Very low76 Ų76134 Ų13463%0.62878%0.78SS**  trans-111.3145.4175.500000112.7
648L31.7Very low35.1Very low162 Ų162133 Ų13385%0.84878%0.78SS**  trans-108127.8179.3-67.3173.4000111.4
649T34.2Very low35.2Very low122 Ų122135.1 Ų135.175%0.74878%0.782SS**  trans-128.5129.1177.157.70000111.7
650P33.6Very low35.3Very low131 Ų131133.4 Ų133.485%0.85178%0.779SS**  trans-80124.6-179.831-33.5000112.3
651S31.1Very low35.3Very low125 Ų125136.8 Ų136.887%0.87479%0.788SS**  trans-74.4146.3177.8-54.60000113
652R32.3Very low35.3Very low224 Ų224136.8 Ų136.885%0.84579%0.785SS**  trans-124.6135.5174.4-170.5-179.1-174-163.41.5108.7
653P30.3Very low35.2Very low131 Ų131137.5 Ų137.585%0.85179%0.788SS**  trans-66.4142.4-176.126.5-34.8000112.1
654V29.9Very low34.5Very low129 Ų129139.1 Ų139.178%0.78280%0.797SS**  trans-102134.3-175173.90000110.7
655L29.6Very low34Very low160 Ų160140 Ų14084%0.83879%0.794SS**  trans-159.2136.1150.8-119.1170000111.3
656L29.5Very low33.2Very low159 Ų159142.7 Ų142.783%0.83279%0.793SS**  trans63.890.1172.5-121.170.6000117.3
657E30.8Very low32.9Very low188 Ų188146.2 Ų146.288%0.87980%0.798SS**  trans-75.5151.5157.7-66.2-178.4115.800111.2
658T33.6Very low32.6Very low126 Ų126146.7 Ų146.777%0.77380%0.802SS**  trans-110.1136.8167.152.40000110.2
659P33.7Very low32.5Very low111 Ų111145.8 Ų145.872%0.72180%0.798SS**  trans-58.8145-176.1-27.135.5000115D661P659-D661 PolarHBondContact O-N 2.73Å
660P34.8Very low32.2Very low128 Ų128147.9 Ų147.983%0.83180%0.804SS**SBendtrans-86.364.3-169.536.4-38.3000113.7
661D35.1Very low32.1Very low145 Ų145147.2 Ų147.278%0.77580%0.803SS**  trans-122.313.6-178.5-104-39.7000114.9P659P659-D661 PolarHBondContact O-N 2.73Å
662F35.7Very low31.9Very low199 Ų199151.4 Ų151.487%0.87381%0.805SS**  trans-145.487.8170.9-91.9-75.6000113.3
663I39.3Very low32.1Very low165 Ų165149 Ų14985%0.84681%0.806SS**  trans-121.7123.5161.1-64.9179.7000108.1
664N32.6Very low32Very low127 Ų127145.6 Ų145.668%0.67980%0.795SS**  trans-83.1141.8-176.8-97.7-37.7000112.1W666N664-W666 PolarHBondContact O-N 3.04Å
665P31.5Very low32.4Very low119 Ų119145.5 Ų145.577%0.77380%0.797SS**SBendtrans-92.684.6-166.535.8-36.1000113.1
666W32.4Very low32.8Very low211 Ų211144 Ų14480%0.79980%0.796SS**  trans-125-21.917970.8-68.7000116N664 A668N664-W666 PolarHBondContact O-N 3.04Å; W666-A668 VanDerWaalsContact C-N 3.26Å; W666-A668 PolarHBondContact O-N 2.94Å
667D32.8Very low33.1Very low133 Ų133144.4 Ų144.471%0.71180%0.799SS**SBendtrans-812.7177.8-66.2-65.5000114.6N669D667-N669 PolarHBondContact O-N 3.36Å
668A30.2Very low33.6Very low85 Ų85140.4 Ų140.470%0.70279%0.789SS**  trans-90.238.1-170.600000115.1W666W666-A668 VanDerWaalsContact C-N 3.26Å; W666-A668 PolarHBondContact O-N 2.94Å
669N29.7Very low33.9Very low143 Ų143141.3 Ų141.377%0.76579%0.789SS**  trans-167.3103.4160.6-112.5-35.5000115D667D667-N669 PolarHBondContact O-N 3.36Å
670N28.7Very low34.5Very low166 Ų166144.2 Ų144.289%0.88879%0.793SS**  -172.9107.7128.4-99.8-44.3000110.5
671S31.1Very low34.8Very low117 Ų117146.1 Ų146.182%0.81879%0.791SS**  trans-100.5134.1172.9-65.30000111
672F27.4Very low35.2Very low213 Ų213144.5 Ų144.593%0.93478%0.783SS**  trans-140.1138.9158.8-161-100000109
673M34.7Very low35.7Very low174 Ų174142.1 Ų142.186%0.85777%0.774SS**  trans-95.1153-153-61.7-171.474.900115.7
674G29.8Very low36Very low60 Ų60141.7 Ų141.762%0.61977%0.768SS**  trans-119.816215300000110.5
675P36.9Very low36.6Very low126 Ų126142.2 Ų142.282%0.81877%0.767SS**PPolyproline II helixtrans-78.2163.5-174.532.7-36.3000113.9
676P38.3Very low37.4Very low128 Ų128143 Ų14383%0.83176%0.76SS**PPolyproline II helixtrans-71.8164.1177.431.3-36.6000113.6
677L36.8Very low38.3Very low168 Ų168138.3 Ų138.388%0.8875%0.747SS**PPolyproline II helixtrans-75152.9176.2-66.1164.8000112.1
678P39.8Very low39.1Very low105 Ų105138.5 Ų138.568%0.68274%0.743SS**PPolyproline II helixtrans-82.6165.1168.335.8-34.9000112.6
679D41.6Very low40.2Very low145 Ų145141 Ų14178%0.77574%0.74SS**PPolyproline II helixtrans-72167.3-173.5-56.9-81.4000115.3E681D679-E681 VanDerWaalsContact C-N 3.31Å; D679-E681 PolarHBondContact O-N 3.47Å
680E45.2Very low41.6Very low172 Ų172139.6 Ų139.680%0.80473%0.729SS**THydrogen-bonded Turntrans-73.4-6.3-164-62.6-176.8103.400116.4D682E680-D682 PolarHBondContact O-N 3.32Å
681E41.3Very low42.9Very low167 Ų167137.2 Ų137.278%0.7871%0.713SS**THydrogen-bonded Turntrans-73.3-24.8-173.7-64.2-167.113000114.5D679 Q683D679-E681 VanDerWaalsContact C-N 3.31Å; D679-E681 PolarHBondContact O-N 3.47Å; E681-Q683 PolarHBondContact O-N 2.92Å
682D42.4Very low44.3Very low112 Ų112136.1 Ų136.160%0.59970%0.698SS**Hα-helixtrans-73.4-23.2-178-97.3-25.9000113.6E680 Q684 H686E680-D682 PolarHBondContact O-N 3.32Å; D682-Q684 PolarHBondContact O-N 3.29Å; D682-H686 PolarHBondContact O-N 3.34Å
683Q47.4Very low46.1Very low149 Ų149132.2 Ų132.270%0.69668%0.682SS**Hα-helixtrans-71.3-28.8-174.1-67.6-168.247.500113.3E681 H687E681-Q683 PolarHBondContact O-N 2.92Å; Q683-H687 PolarHBondContact O-N 3.35Å
684Q45.7Very low47.2Very low155 Ų155130 Ų13072%0.72467%0.67SS**Hα-helixtrans-75.8-43-178.7-71.9-178.5-7.200112.2D682 H686 H687 E688D682-Q684 PolarHBondContact O-N 3.29Å; Q684-H686 VanDerWaalsContact C-N 3.28Å; Q684-H686 PolarHBondContact O-N 2.98Å; Q684-H687 PolarHBondContact O-N 3.3Å; Q684-H687 VanDerWaalsContact O-N 3.12Å; Q684-E688 PolarHBondContact O-N 2.89Å
685Q45.8Very low48.6Very low139 Ų139132.8 Ų132.865%0.6567%0.667SS**Hα-helixtrans-60.6-38.9176-66.6-175.559.500111.9H687 E688 Q689Q685-H687 VanDerWaalsContact C-N 3.29Å; Q685-H687 PolarHBondContact O-N 3.1Å; Q685-E688 PolarHBondContact O-N 2.99Å; Q685-Q689 WeakPolarHBondContact O-CB 3.28Å; Q685-Q689 PolarHBondContact O-N 3.46Å; Q685-Q689 VanDerWaalsContact O-N 3.11Å
686H48.2Very low49.5Very low135 Ų135133.5 Ų133.563%0.62566%0.659SS**Hα-helixtrans-69.7-26.2179.1-139-62.2000113.1D682 Q684D682-H686 PolarHBondContact O-N 3.34Å; Q684-H686 VanDerWaalsContact C-N 3.28Å; Q684-H686 PolarHBondContact O-N 2.98Å
687H50.1Low50.4Low113 Ų113133.1 Ų133.152%0.52365%0.65SS.*Hα-helixtrans-79.3-42.8176.1-15090.9000111.7Q683 Q684 Q685 Q690 Q691Q683-H687 PolarHBondContact O-N 3.35Å; Q684-H687 PolarHBondContact O-N 3.3Å; Q684-H687 VanDerWaalsContact O-N 3.12Å; Q685-H687 VanDerWaalsContact C-N 3.29Å; Q685-H687 PolarHBondContact O-N 3.1Å; H687-Q690 PolarHBondContact O-N 3.18Å; H687-Q691 PolarHBondContact CD2-NE2 2.97Å; H687-Q691 PolarHBondContact O-N 2.88Å
688E49.5Very low51.2Low136 Ų136131.8 Ų131.864%0.63664%0.639SS**Hα-helixtrans-65.9-39.5179.4-154.7174.3127.800112Q684 Q685 Q690 Q691 N692Q684-E688 PolarHBondContact O-N 2.89Å; Q685-E688 PolarHBondContact O-N 2.99Å; E688-Q690 VanDerWaalsContact C-N 3.31Å; E688-Q690 PolarHBondContact O-N 3.47Å; E688-Q691 PolarHBondContact O-N 3.15Å; E688-N692 PolarHBondContact O-N 3.37Å
689Q54.4Low51.8Low138 Ų138132.4 Ų132.465%0.64563%0.633SS**Hα-helixtrans-64.2-34.1173.6-169.3171.110000112.5Q685 Q693Q685-Q689 WeakPolarHBondContact O-CB 3.28Å; Q685-Q689 PolarHBondContact O-N 3.46Å; Q685-Q689 VanDerWaalsContact O-N 3.11Å; Q689-Q693 PolarHBondContact O-N 3.25Å
690Q58.1Low52.2Low113 Ų113132.2 Ų132.253%0.52863%0.627SS.*Hα-helixtrans-74.5-34.2177.4-169166.2102.700112.5H687 E688 Q694H687-Q690 PolarHBondContact O-N 3.18Å; E688-Q690 VanDerWaalsContact C-N 3.31Å; E688-Q690 PolarHBondContact O-N 3.47Å; Q690-Q694 PolarHBondContact O-N 3.16Å
691Q57Low52.6Low116 Ų116129.5 Ų129.554%0.54261%0.614SS.*Hα-helixtrans-67.7-43.9173.3-70.1-170.413.700112.2H687 E688 Q693 Q694 Q695H687-Q691 PolarHBondContact CD2-NE2 2.97Å; H687-Q691 PolarHBondContact O-N 2.88Å; E688-Q691 PolarHBondContact O-N 3.15Å; Q691-Q693 VanDerWaalsContact C-N 3.3Å; Q691-Q693 PolarHBondContact O-N 3.08Å; Q691-Q694 PolarHBondContact O-N 3.01Å; Q691-Q695 PolarHBondContact O-N 3.25Å
692N59.7Low52.9Low94 Ų94127.5 Ų127.550%0.50360%0.604SS.*Hα-helixtrans-58.1-41.8175.4-88.2-26.4000112.2E688 Q694 Q695 E696E688-N692 PolarHBondContact O-N 3.37Å; N692-Q694 PolarHBondContact O-N 3.44Å; N692-Q695 PolarHBondContact O-N 2.9Å; N692-Q695 VanDerWaalsContact O-N 3.09Å; N692-E696 PolarHBondContact O-N 2.77Å
693Q65.4Low52.9Low131 Ų131128.9 Ų128.961%0.61261%0.607SS**Hα-helixtrans-66.7-33.7179.4-166166.2102.700113Q689 Q691 L697Q689-Q693 PolarHBondContact O-N 3.25Å; Q691-Q693 VanDerWaalsContact C-N 3.3Å; Q691-Q693 PolarHBondContact O-N 3.08Å; Q693-L697 WeakPolarHBondContact O-CG 3.45Å; Q693-L697 PolarHBondContact O-N 3.49Å
694Q58.6Low53.1Low127 Ų127127.9 Ų127.959%0.59360%0.602SS**Hα-helixtrans-69.5-36170-68.4-172.824.600112.1Q690 Q691 N692 L697 Q698Q690-Q694 PolarHBondContact O-N 3.16Å; Q691-Q694 PolarHBondContact O-N 3.01Å; N692-Q694 PolarHBondContact O-N 3.44Å; Q694-L697 PolarHBondContact O-N 2.69Å; Q694-Q698 WeakPolarHBondContact O-CB 3.19Å; Q694-Q698 PolarHBondContact O-N 2.97Å
695Q58.1Low53.1Low119 Ų119126.7 Ų126.756%0.55660%0.597SS**Hα-helixtrans-70.7-34.7179.8-159.8174.897.600112.8Q691 N692 Q699Q691-Q695 PolarHBondContact O-N 3.25Å; N692-Q695 PolarHBondContact O-N 2.9Å; N692-Q695 VanDerWaalsContact O-N 3.09Å; Q695-Q699 WeakPolarHBondContact O-CG 3.16Å; Q695-Q699 PolarHBondContact O-N 3.37Å; Q695-Q699 VanDerWaalsContact O-N 3.07Å; Q695-Q699 PolarHBondContact O-NE2 3.35Å
696E56.7Low52.8Low142 Ų142127.1 Ų127.166%0.66460%0.598SS**Hα-helixtrans-63.8-48.7168.3-91-168.8102.700111.9N692 Q698 Q699 H700N692-E696 PolarHBondContact O-N 2.77Å; E696-Q698 VanDerWaalsContact C-N 3.25Å; E696-Q698 PolarHBondContact O-N 2.81Å; E696-Q699 PolarHBondContact O-N 2.9Å; E696-H700 WeakPolarHBondContact O-CB 3.45Å; E696-H700 PolarHBondContact O-N 3Å
697L55.5Low52.6Low119 Ų119128.4 Ų128.462%0.62361%0.605SS**Hα-helixtrans-58.2-38.7178.2-77.4166.8000112.1Q693 Q694 H700 H701Q693-L697 WeakPolarHBondContact O-CG 3.45Å; Q693-L697 PolarHBondContact O-N 3.49Å; Q694-L697 PolarHBondContact O-N 2.69Å; L697-H700 PolarHBondContact O-N 3.09Å; L697-H701 PolarHBondContact O-N 3.21Å; L697-H701 VanDerWaalsContact O-N 3.08Å
698Q55.4Low52.4Low141 Ų141130.8 Ų130.866%0.65962%0.616SS**Hα-helixtrans-74.1-36.3-180-161.1159.996.700112.7Q694 E696 H701 Q702Q694-Q698 WeakPolarHBondContact O-CB 3.19Å; Q694-Q698 PolarHBondContact O-N 2.97Å; E696-Q698 VanDerWaalsContact C-N 3.25Å; E696-Q698 PolarHBondContact O-N 2.81Å; Q698-H701 PolarHBondContact O-N 3.3Å; Q698-Q702 PolarHBondContact O-N 3.44Å; Q698-Q702 VanDerWaalsContact O-N 3.13Å
699Q52.1Low52.3Low118 Ų118132.2 Ų132.255%0.55162%0.623SS**Hα-helixtrans-63.8-43.8169.5-77.1178.479.300111.9Q695 E696 H701 Q702 H703Q695-Q699 WeakPolarHBondContact O-CG 3.16Å; Q695-Q699 PolarHBondContact O-N 3.37Å; Q695-Q699 VanDerWaalsContact O-N 3.07Å; Q695-Q699 PolarHBondContact O-NE2 3.35Å; E696-Q699 PolarHBondContact O-N 2.9Å; Q699-H701 PolarHBondContact O-N 3.49Å; Q699-Q702 PolarHBondContact O-N 3.23Å; Q699-H703 PolarHBondContact O-N 3.05Å
700H48.5Very low51.4Low141 Ų141133.9 Ų133.965%0.65363%0.631SS**Hα-helixtrans-62.6-30.2177.8-155-62.3000112.1E696 L697 Q704E696-H700 WeakPolarHBondContact O-CB 3.45Å; E696-H700 PolarHBondContact O-N 3Å; L697-H700 PolarHBondContact O-N 3.09Å; H700-Q704 PolarHBondContact O-N 2.81Å
701H55Low50.4Low115 Ų115133.9 Ų133.953%0.53264%0.64SS.*Hα-helixtrans-72.8-41.8174.1-140.981.2000112.8L697 Q698 Q699 H703 Q704 Q705L697-H701 PolarHBondContact O-N 3.21Å; L697-H701 VanDerWaalsContact O-N 3.08Å; Q698-H701 PolarHBondContact O-N 3.3Å; Q699-H701 PolarHBondContact O-N 3.49Å; H701-H703 VanDerWaalsContact C-N 3.34Å; H701-H703 PolarHBondContact O-N 3.46Å; H701-Q704 PolarHBondContact O-N 2.65Å; H701-Q705 PolarHBondContact O-N 3.18Å
702Q46.7Very low49.2Very low124 Ų124140.1 Ų140.158%0.57966%0.659SS**Hα-helixtrans-64.1-37.9174.2-72.9-168.97.800112.7Q698 Q699 Q704 Q705 H706Q698-Q702 PolarHBondContact O-N 3.44Å; Q698-Q702 VanDerWaalsContact O-N 3.13Å; Q699-Q702 PolarHBondContact O-N 3.23Å; Q702-Q704 VanDerWaalsContact C-N 3.27Å; Q702-Q704 PolarHBondContact O-N 3.35Å; Q702-Q705 PolarHBondContact O-N 3.3Å; Q702-H706 PolarHBondContact O-N 3.01Å; Q702-H706 PolarHBondContact O-ND1 2.87Å
703H43.8Very low47.9Very low141 Ų141143.2 Ų143.265%0.65368%0.676SS**Hα-helixtrans-65.9-30.7179-138.593.9000112.3Q699 H701Q699-H703 PolarHBondContact O-N 3.05Å; H701-H703 VanDerWaalsContact C-N 3.34Å; H701-H703 PolarHBondContact O-N 3.46Å
704Q50.6Low46.3Very low128 Ų128145.8 Ų145.860%0.59869%0.688SS**Hα-helixtrans-77.5-30.4177.1-165.2164.143.700113H700 H701 Q702H700-Q704 PolarHBondContact O-N 2.81Å; H701-Q704 PolarHBondContact O-N 2.65Å; Q702-Q704 VanDerWaalsContact C-N 3.27Å; Q702-Q704 PolarHBondContact O-N 3.35Å
705Q45.9Very low44.8Very low130 Ų130149.1 Ų149.161%0.60771%0.706SS**Hα-helixtrans-72.9-36.2175.4-67.9-172.712.600112.7H701 Q702 Q707 Q708H701-Q705 PolarHBondContact O-N 3.18Å; Q702-Q705 PolarHBondContact O-N 3.3Å; Q705-Q707 PolarHBondContact O-N 3.17Å; Q705-Q707 VanDerWaalsContact O-N 3.13Å; Q705-Q708 PolarHBondContact O-N 3.47Å; Q705-Q708 VanDerWaalsContact O-N 3.1Å
706H39.7Very low43.6Very low148 Ų148150.7 Ų150.769%0.68572%0.718SS**G310 helixtrans-65.3-14.5-179.9-87.282.1000114.8Q702 Q708Q702-H706 PolarHBondContact O-N 3.01Å; Q702-H706 PolarHBondContact O-ND1 2.87Å; H706-Q708 VanDerWaalsContact C-N 3.32Å
707Q43.6Very low42.4Very low162 Ų162155 Ų15576%0.75773%0.728SS**G310 helixtrans-81.8-4.7174-66.3-168.21000114.2Q705Q705-Q707 PolarHBondContact O-N 3.17Å; Q705-Q707 VanDerWaalsContact O-N 3.13Å
708Q45.6Very low41.3Very low163 Ų163157 Ų15776%0.76274%0.736SS**G310 helixtrans-117.136.4178.8-66.7-167.344.600114Q705 H706Q705-Q708 PolarHBondContact O-N 3.47Å; Q705-Q708 VanDerWaalsContact O-N 3.1Å; H706-Q708 VanDerWaalsContact C-N 3.32Å
709Q47Very low40.2Very low166 Ų166157.3 Ų157.378%0.77674%0.738SS**  trans-164.2101.6160.1-109.6146.3108.300113.1
710Q37.3Very low39.2Very low174 Ų174159.7 Ų159.781%0.81375%0.751SS**  trans-145.3136.2150.4-77.3-54.4-34.200109.5
711P36Very low38.4Very low112 Ų112156.7 Ų156.773%0.72776%0.758SS**  trans-83.8158.8178.234.4-33.9000112.1N713P711-N713 PolarHBondContact O-N 2.87Å
712W31.7Very low37.4Very low247 Ų247155.1 Ų155.194%0.93677%0.773SS**  trans-68128.3174.4-7774.2000111.9
713N31.7Very low36.7Very low160 Ų160153.5 Ų153.586%0.85679%0.79SS**  -166154.5128.9-109.2-46.6000115.1P711P711-N713 PolarHBondContact O-N 2.87Å
714Q32.5Very low36.2Very low185 Ų185150.7 Ų150.786%0.86480%0.799SS**  trans63.686.1151.6-160.6164.944.800119.7
715M27.7Very low35.5Very low197 Ų197149.2 Ų149.297%0.9781%0.808SS**  trans-140.2131.7137.7-148.7171.8-161.500110.7
716N32.4Very low35.3Very low152 Ų152148.7 Ų148.781%0.81382%0.816SS**  trans-138.986.3-174.2-175.515.4000111.5
717R32.3Very low35.8Very low231 Ų231147.3 Ų147.387%0.87282%0.82SS**  trans-158.1115.3160.2-129.3179-177.6-167.4-0.1112.2
718M31.3Very low35.8Very low161 Ų161145.3 Ų145.379%0.79382%0.822SS**  trans9.7143.9135.5-64.8159.1-176.700117.9
719Q32.9Very low35.8Very low149 Ų149143.3 Ų143.370%0.69682%0.823SS**  cis174.2153.34.7164.7171.74.400106.5
720M32.1Very low35.8Very low167 Ų167146.9 Ų146.982%0.82383%0.829SS**  cis-131.2164.918-90.8-60.5-154.500111.8
721G31.7Very low36.4Very low78 Ų78144.2 Ų144.280%0.80483%0.827SS**  109.8129.5122.900000120.4
722G32.5Very low36.9Very low82 Ų82144.7 Ų144.785%0.84583%0.83SS**  trans102.4102.7157.700000116.1
723G33.1Very low37.5Very low91 Ų91144.5 Ų144.594%0.93883%0.831SS**  trans-67.4154.8-169.500000117.9
724G33.4Very low37.6Very low82 Ų82140.6 Ų140.685%0.84583%0.828SS**  trans-178.878.1177.800000111.3
725A35.4Very low37.8Very low96 Ų96140.5 Ų140.579%0.79383%0.828SS**  trans-88.4171.1-177.300000112
726P41Very low39.3Very low119 Ų119135.6 Ų135.677%0.77381%0.811SS**  trans-97.7179.9-137.941.7-41.9000114.9
727P50.3Low39.2Very low119 Ų119138.5 Ų138.577%0.77382%0.816SS**  trans-84.3153.3-162.233.6-35.5000114.9
728P44.7Very low39.7Very low121 Ų121132.8 Ų132.879%0.78681%0.809SS**  trans-82.3154.9170.633.9-34.3000113
729P44.2Very low40.8Very low121 Ų121130 Ų13079%0.78680%0.804SS**  trans-99.6-179.7-169.739.7-37.9000115.2
730R47.1Very low40.8Very low241 Ų241131.9 Ų131.991%0.90981%0.81SS**  trans-58139.8167.8-75.9-173.8179.1-139.13.6112.4
731P49.8Very low40.9Very low118 Ų118132.4 Ų132.477%0.76681%0.81SS**  trans-96.1155.315935.6-31.2000112.9
732P47Very low40.8Very low121 Ų121138.1 Ų138.179%0.78681%0.807SS**  trans-98.8-170.2174.339.8-35.7000113.7
733Y44.4Very low40.8Very low243 Ų243141.9 Ų141.995%0.95380%0.801SS**  trans-25.8139.9177.7-69.7-92.2000119
734G33Very low41.2Very low78 Ų78143.5 Ų143.580%0.80479%0.794SS**  trans-165.8131165.400000115.2
735Q37.3Very low41.1Very low183 Ų183142.4 Ų142.486%0.85578%0.784SS**  trans-123174162.8-80.2-86.55.900106.3
736P59Low42.1Very low94 Ų94143.4 Ų143.461%0.6178%0.782SS**  cis-126173.2-3038.6-25.1000112
737F31.1Very low42.9Very low213 Ų213143 Ų14393%0.93478%0.78SS**  trans-150.7162.4166.3-86-55.1000112.6
738P42.5Very low42.2Very low111 Ų111144.9 Ų144.972%0.72178%0.78SS**  trans-133.4-143.3-13646-23.8000113
739P54.9Low41.8Very low104 Ų104146.8 Ų146.868%0.67578%0.783SS**  -130.2120.9-125.233.2-8.9000117.3
740F31.6Very low41Very low188 Ų188144.3 Ų144.383%0.82578%0.78SS**  trans-149.2155.9169-62.2-63.8000109.1
741Q35.6Very low41.3Very low177 Ų177138.6 Ų138.683%0.82777%0.774SS**  cis-153.1178.8-10-115.8166.935.600108.2
742R29.2Very low40.7Very low199 Ų199140.4 Ų140.475%0.75178%0.778SS**  trans-136.3163.8-173.7-162.9-179.9-166-99.45.7112.3
743F32.1Very low40.1Very low161 Ų161137.4 Ų137.471%0.70677%0.768SS**  trans89.5155170.6-65.6-78.4000116.2
744P41.9Very low39.6Very low124 Ų124135.2 Ų135.281%0.80577%0.769SS**  cis-118168.910.741.4-29.7000117.7
745G31.4Very low39.7Very low60 Ų60140.4 Ų140.462%0.61977%0.772SS**  trans-91.4-143.5157.800000110.4
746P55.1Low39.6Very low117 Ų117144 Ų14476%0.7678%0.778SS**  cis-128.2-14112.443.4-23.9000109.8
747P58.8Low38.2Very low111 Ų111142.9 Ų142.972%0.72178%0.784SS**  cis-128.8-175.9-18.835.5-15.5000113.8
748M36Very low38.3Very low157 Ų157145 Ų14577%0.77379%0.785SS**  cis-166.2146.4-31.2-99.5-68.9-161.700108
749N35.1Very low37.7Very low161 Ų161142.9 Ų142.986%0.86178%0.784SS**  trans159.2136.4130.9-82.2-15000112.1
750G28.8Very low36.5Very low70 Ų70150.2 Ų150.272%0.72280%0.798SS**  trans-128.8-142.1167.700000108.9
751P53.8Low36.4Very low121 Ų121144.6 Ų144.679%0.78679%0.793SS**  cis-118.9-159.2-4.344.8-29.9000110.1
752D36.3Very low36.2Very low156 Ų156148 Ų14883%0.83480%0.798SS**  cis-154.2171-1.6-146.8-40.3000110.2
753G34.7Very low36.1Very low57 Ų57141.9 Ų141.959%0.58880%0.797SS**  trans84.1172.6158.900000116.9
754M33.6Very low35.9Very low198 Ų198144.7 Ų144.798%0.97580%0.803SS**  cis-149.5171.5-18.3-104.1-150.9-174.700109.4
755Q35.9Very low35.3Very low187 Ų187145.5 Ų145.587%0.87480%0.8SS**  trans-124.9144.7-173.1-62.4179.1-5.500114
756R33.5Very low35.1Very low259 Ų259146 Ų14698%0.97781%0.806SS**  -173.9153.1128.9-104.3164.8-165.4-122.31.9111.8
757G30.6Very low34.8Very low70 Ų70147 Ų14772%0.72281%0.812SS**  trans-151129.8170.300000112.9
758R32.2Very low33.5Very low258 Ų258145.1 Ų145.197%0.97481%0.813SS**  trans-166.8158.8159.9-64-159.9-171.9-131.80.1105.7
759G30Very low34Very low66 Ų66144.3 Ų144.368%0.6882%0.819SS**  cis144.7100-6.600000112.5
760R30.3Very low33.8Very low258 Ų258140 Ų14097%0.97481%0.812SS**  trans68.8155.2-176-45-177.4-171-845.5114.6
761G29.5Very low35.1Very low70 Ų70142 Ų14272%0.72281%0.813SS**  cis156.3148.7-15.700000115.6
762R30.6Very low34Very low248 Ų248145.9 Ų145.994%0.93682%0.818SS**  trans67.2140.7166.5-68.6-174.4177-117.40.4120.6
763G28.6Very low33.8Very low70 Ų70149.4 Ų149.472%0.72282%0.819SS**  trans125140156.900000113.8
764W27.1Very low34.8Very low220 Ų220151.9 Ų151.983%0.83383%0.825SS**  cis172.5157.9-30.4-117.558.7000105.3
765N30Very low35.9Very low141 Ų141146.8 Ų146.875%0.75481%0.807SS**  trans71.1134.2169.3-62.8-24.9000120.8
766G26.9Very low35.8Very low71 Ų71147.8 Ų147.873%0.73280%0.804SS**  trans-96.1-134.8145.200000109.1
767P48.1Very low36Very low139 Ų139142.9 Ų142.990%0.90379%0.792SS**  cis-128.9-171.1-10.142.7-27.5000112.3
768G31.2Very low36Very low71 Ų71150.1 Ų150.173%0.73280%0.798SS**  trans130.3159.9148.900000117.5
769P48.4Very low36.1Very low139 Ų139146.1 Ų146.190%0.90379%0.792SS**  trans-134.4166.1-15040.1-22.3000116
770G30.9Very low37.1Very low70 Ų70148.6 Ų148.672%0.72280%0.796SS**  trans151.7163.7160.100000117.2
771P54.5Low37.1Very low112 Ų112139.5 Ų139.573%0.72778%0.783SS**  -125-163.8-129.641.8-29.3000114.6
772F32.2Very low38.2Very low204 Ų204142.9 Ų142.990%0.89579%0.792SS**  trans141.1162.5150.1-81-72.2000115.9
773R30.8Very low38.3Very low229 Ų229134.1 Ų134.186%0.86478%0.779SS**  trans-147.6173.4179.6-91.5-173.6173.9-121.85.8107.7
774P55.1Low38.4Very low110 Ų110140.5 Ų140.571%0.71479%0.787SS**  cis-119-107.3-23224.2000110.4
775P56.8Low38.6Very low90 Ų90137.2 Ų137.258%0.58479%0.786SS**  cis-139.2169.5-45.139.7-21.6000118.9
776Y35.5Very low38.6Very low209 Ų209133.4 Ų133.482%0.8278%0.78SS**  trans75.2145.5144.5-68.8-45.4000126.1
777Q37.3Very low39.6Very low155 Ų155136.5 Ų136.572%0.72479%0.787SS**  trans74.5150.6159.8-72.4176.772.300118.3
778R30.3Very low38.7Very low223 Ų223133.2 Ų133.284%0.84278%0.779SS**  cis-156.7165.36.5-132.9174.5-157.6-117.94.5113.6
779M34.3Very low39.4Very low173 Ų173136.4 Ų136.485%0.85279%0.786SS**  trans-89175.6166.8-86.4-90.2-171.900111.7
780P49.9Very low38.5Very low118 Ų118133 Ų13377%0.76678%0.777SS**  cis-146.4-163.725.844.2-21.7000118.4
781G31Very low39.1Very low68 Ų68136.1 Ų136.170%0.70179%0.785SS**  trans-84.9-145173.500000115.7
782P53.1Low38.2Very low141 Ų141142.1 Ų142.192%0.91679%0.793SS**  cis-146.9-168.42145.2-24.5000118.3
783G32.1Very low38.8Very low64 Ų64137.9 Ų137.966%0.6679%0.786SS**  trans128.3117.6164.300000115.5
784F31.7Very low38.7Very low203 Ų203136.7 Ų136.789%0.8979%0.787SS**  72.7136.870.1-82.4-108.3000114.9
785D30.6Very low37.7Very low152 Ų152140.6 Ų140.681%0.81379%0.793SS**  cis-159.4-172.5-0.1-152.7-21.9000112.4
786G30.1Very low37.1Very low60 Ų60142 Ų14262%0.61980%0.802SS**  trans-94.2-154-179.100000116.9
787P47.6Very low37Very low136 Ų136143.9 Ų143.988%0.88381%0.808SS**  cis-132.5-160.51.143.4-23.9000115.8
788G28.8Very low36.6Very low71 Ų71140.3 Ų140.373%0.73281%0.812SS**  trans-88.2-160-179.800000116.7
789P46.2Very low36.5Very low137 Ų137133.8 Ų133.889%0.8982%0.815SS**  cis-138.8-155.22343.6-22.2000116.7
790G29.3Very low36.3Very low69 Ų69129.3 Ų129.371%0.71181%0.813SS**  trans-86-161.8-178.400000117
791P44Very low36.5Very low135 Ų135130.2 Ų130.288%0.87782%0.819SS**  cis-144.9-149.437.944.4-22.3000117.1
792R35Very low36.5Very low237 Ų237130.9 Ų130.989%0.89483%0.826SS**  trans-81162.8-172.3-53.3170.1177.9-112.42.4115.2
793P45.2Very low35.4Very low116 Ų116127.9 Ų127.975%0.75382%0.821SS**  -157.3149.5104.838.2-18.6000120.5
794F29.4Very low36.2Very low203 Ų203130.7 Ų130.789%0.8983%0.827SS**  trans59.4153.9137.6-77.5-100.9000128.1
795F33.8Very low36.6Very low192 Ų192129.4 Ų129.484%0.84283%0.826SS**  trans-79.7176.1172.8-72.6-84.4000113
796P44.7Very low36.7Very low119 Ų119134.5 Ų134.577%0.77383%0.834SS**  cis-131.3173.737208000115.6
797R32.1Very low36.8Very low250 Ų250134.8 Ų134.894%0.94384%0.837SS**  cis88.1110.434.3-163.2-162-174.3-152.93.9116.1
798G28.9Very low36.1Very low79 Ų79140.6 Ų140.681%0.81484%0.841SS**  trans164147.6161.100000112.1
799G29.8Very low36.3Very low87 Ų87140.7 Ų140.790%0.89784%0.842SS**  cis132108.7-14.100000114.7
800G29.1Very low35.6Very low78 Ų78146.2 Ų146.280%0.80485%0.845SS**  trans160.6148.8169.300000115.8
801P54.6Low36.1Very low137 Ų137151.7 Ų151.789%0.8986%0.855SS**  trans-135.6174.2-169.443.1-26.9000117.5
802G30.3Very low35.7Very low83 Ų83157 Ų15786%0.85686%0.857SS**  trans117.3149.9146.800000118.5
803G31.1Very low36Very low78 Ų78148.9 Ų148.980%0.80485%0.848SS**  trans142.7125.2170.800000115.3
804P47.8Very low35.7Very low122 Ų122153.2 Ų153.279%0.79285%0.854SS**  trans-121.4162.2-170.241.9-32.8000117.9
805M39.7Very low36.1Very low177 Ų177147.7 Ų147.787%0.87285%0.847SS**  trans52.3111.4145.4-78.9-80.4-168.800121.4
806R33.2Very low36.3Very low258 Ų258150.6 Ų150.697%0.97485%0.852SS**  -170.4163.2126-100.9157-163.1-95.50.2110.9
807G31.6Very low36.1Very low67 Ų67153.8 Ų153.869%0.69186%0.859SS**  trans-132.8-145.4-164.600000117
808R34.6Very low36.6Very low257 Ų257154.7 Ų154.797%0.9788%0.877SS**  trans84.7134.4-153-58.7175.1179.5-127.82.1111.8
809G31Very low36.9Very low73 Ų73158.5 Ų158.575%0.75388%0.88SS**  cis120111.1-17.200000116
810R33.3Very low37.3Very low253 Ų253162.2 Ų162.296%0.95588%0.879SS**  trans-170.4142.8152.1-93-113-175.6-930.4110.8
811M39.4Very low37.8Very low184 Ų184166.9 Ų166.991%0.90688%0.884SS**  trans-94154.3167.9-62.7164.6166.700110.9
812R36.2Very low36.8Very low247 Ų247168.6 Ų168.693%0.93288%0.883SS**  trans-158.7123.5143.7-123.6-175.1-170.6-147.95.1111.3
813G40.1Very low37.2Very low67 Ų67174 Ų17469%0.69189%0.885SS**  trans-120167.115800000109.6
814K39.5Very low37.6Very low206 Ų206180.4 Ų180.490%0.89689%0.89SS**  trans164.5160.1165.8-98.2171.7-177.9-158.40108.1
815A38.2Very low36.9Very low88 Ų88184.6 Ų184.673%0.72790%0.897SS**  cis-175.7145.8-34.600000106.6
816W37.1Very low36.7Very low252 Ų252185.2 Ų185.296%0.95590%0.899SS**  trans-90.9137165.7-78.578.7000109.9
817M41.4Very low36.9Very low187 Ų187179.1 Ų179.192%0.92189%0.893SS**  trans163.7103.9139.9-93.8179.4176.800110.7
818M41Very low37.4Very low268 Ų268189.3 Ų189.3100%1.3291%0.911SS**  -151.20120.6-99.9-178.217700107.7

Retrieved 818 of 818 residues in 419.4 ms (Link to these results)

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