A0A087X8N7_POEFO Loading...

Prostacyclin synthase

Catalyzes the biosynthesis and metabolism of eicosanoids. Catalyzes the isomerization of prostaglandin H2 to prostacyclin (= prostaglandin I2), a potent mediator of vasodilation and inhibitor of platelet aggregation. Additionally, displays dehydratase activity, toward hydroperoxyeicosatetraenoates (HPETEs), especially toward (15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate (15(S)-HPETE).

AlphaFold DB , UniProt , Accession A0A087X8N7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1M55.4Low70.4Confident201 Ų201115.1 Ų115.199%0.9960%0.595SS**  0-320-95.6-168.5-6500114.6W3 I4M1-W3 VanDerWaalsContact C-N 3.35Å; M1-W3 PolarHBondContact O-N 3.17Å; M1-I4 HydrophobicContact CG-CD1 4.31Å; M1-I4 PolarHBondContact O-N 3.38Å
2I59.7Low70.1Confident149 Ų149111.8 Ų111.876%0.76459%0.588SS**THydrogen-bonded Turntrans-65.5-30-172.5-60.9168.9000113.9P6I2-P6 WeakPolarHBondContact O-CD 3.31Å
3W60.9Low70.1Confident205 Ų205110.4 Ų110.478%0.77757%0.574SS**THydrogen-bonded Turntrans-84.4-11.6179.3-64.9102.6000115.1M1 P6 V7M1-W3 VanDerWaalsContact C-N 3.35Å; M1-W3 PolarHBondContact O-N 3.17Å; W3-P6 WeakPolarHBondContact O-CD 3.43Å; W3-V7 VanDerWaalsContact O-CB 3.25Å; W3-V7 WeakPolarHBondContact O-CB 3.15Å; W3-V7 WeakPolarHBondContact O-CG2 3.22Å; W3-V7 PolarHBondContact O-N 3.03Å; W3-V7 VanDerWaalsContact O-N 3.12Å
4I71.9Confident70.1Confident97 Ų97110.7 Ų110.750%0.49758%0.576SS.*Hα-helixtrans-69.9-42-176.1-61.4176.2000110.5M1 L8M1-I4 HydrophobicContact CG-CD1 4.31Å; M1-I4 PolarHBondContact O-N 3.38Å; I4-L8 HydrophobicContact CG2-CD1 3.68Å; I4-L8 HydrophobicContact CG2-CG 4.29Å; I4-L8 VanDerWaalsContact O-CB 3.28Å; I4-L8 WeakPolarHBondContact O-CB 3.48Å; I4-L8 VanDerWaalsContact O-CG 3.24Å; I4-L8 WeakPolarHBondContact O-CG 3.33Å; I4-L8 PolarHBondContact O-N 2.67Å
5V73.9Confident69.8Low100 Ų100112.6 Ų112.661%0.60659%0.586SS**Hα-helixtrans-67.4-48.6-179.4179.10000111.9V7 L8 V9V5-V7 PolarHBondContact O-N 3.13Å; V5-L8 PolarHBondContact O-N 2.87Å; V5-V9 HydrophobicContact CG1-CG2 4.47Å; V5-V9 WeakPolarHBondContact O-CB 3.19Å; V5-V9 VanDerWaalsContact O-CG2 3.25Å; V5-V9 WeakPolarHBondContact O-CG2 3.2Å; V5-V9 PolarHBondContact O-N 3.49Å
6P75.9Confident69.7Low66 Ų66108.4 Ų108.443%0.42957%0.567SS.*Hα-helixtrans-60.9-40.2174.9-22.731.8000113.5I2 W3 V9 L10I2-P6 WeakPolarHBondContact O-CD 3.31Å; W3-P6 WeakPolarHBondContact O-CD 3.43Å; P6-V9 PolarHBondContact O-N 2.72Å; P6-L10 WeakPolarHBondContact O-CB 3.47Å; P6-L10 PolarHBondContact O-N 3.15Å
7V79.9Confident70Confident74 Ų74103.7 Ų103.745%0.44854%0.542SS..Hα-helixtrans-67.6-41.4178.4169.50000111.1W3 V5 L10 L11W3-V7 VanDerWaalsContact O-CB 3.25Å; W3-V7 WeakPolarHBondContact O-CB 3.15Å; W3-V7 WeakPolarHBondContact O-CG2 3.22Å; W3-V7 PolarHBondContact O-N 3.03Å; W3-V7 VanDerWaalsContact O-N 3.12Å; V5-V7 PolarHBondContact O-N 3.13Å; V7-L10 PolarHBondContact O-N 2.79Å; V7-L11 HydrophobicContact CG1-CD1 3.85Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 PolarHBondContact O-N 2.94Å
8L75.6Confident70.8Confident98 Ų9899.1 Ų99.151%0.51352%0.516SS..Hα-helixtrans-64.8-38.3173.3-77.7169.6000112.1I4 V5 C12I4-L8 HydrophobicContact CG2-CD1 3.68Å; I4-L8 HydrophobicContact CG2-CG 4.29Å; I4-L8 VanDerWaalsContact O-CB 3.28Å; I4-L8 WeakPolarHBondContact O-CB 3.48Å; I4-L8 VanDerWaalsContact O-CG 3.24Å; I4-L8 WeakPolarHBondContact O-CG 3.33Å; I4-L8 PolarHBondContact O-N 2.67Å; V5-L8 PolarHBondContact O-N 2.87Å; L8-C12 WeakPolarHBondContact O-CB 3.3Å; L8-C12 PolarHBondContact O-N 2.75Å; L8-C12 PolarHBondContact O-SG 3.04Å; L8-C12 VanDerWaalsContact O-SG 3.35Å
9V73.1Confident71.6Confident93 Ų93103.6 Ų103.656%0.56453%0.525SS*.Hα-helixtrans-65.7-42174.9170.20000110.9V5 P6 F13V5-V9 HydrophobicContact CG1-CG2 4.47Å; V5-V9 WeakPolarHBondContact O-CB 3.19Å; V5-V9 VanDerWaalsContact O-CG2 3.25Å; V5-V9 WeakPolarHBondContact O-CG2 3.2Å; V5-V9 PolarHBondContact O-N 3.49Å; P6-V9 PolarHBondContact O-N 2.72Å; V9-F13 VanDerWaalsContact O-CB 3.27Å; V9-F13 WeakPolarHBondContact O-CB 3.47Å; V9-F13 PolarHBondContact O-N 2.99Å
10L75.8Confident72.6Confident100 Ų100104.4 Ų104.452%0.52452%0.522SS..Hα-helixtrans-67.6-42.3176.8-173.768.8000111.9P6 V7 F13 L14P6-L10 WeakPolarHBondContact O-CB 3.47Å; P6-L10 PolarHBondContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 2.79Å; L10-F13 WeakPolarHBondContact O-CB 3.42Å; L10-F13 PolarHBondContact O-N 3.05Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.17Å
11L72.4Confident73.5Confident83 Ų83106.3 Ų106.344%0.43552%0.524SS..Hα-helixtrans-63.6-46.8173.7-98.8146.9000111.3V7 F13 L14 L15V7-L11 HydrophobicContact CG1-CD1 3.85Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 PolarHBondContact O-N 2.94Å; L11-F13 VanDerWaalsContact C-N 3.26Å; L11-F13 PolarHBondContact O-N 2.93Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-L15 HydrophobicContact CB-CD1 4.5Å; L11-L15 HydrophobicContact CD2-CD1 3.91Å; L11-L15 HydrophobicContact CD2-CG 4.34Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.19Å; L11-L15 PolarHBondContact O-N 2.93Å
12C67Low75.2Confident75 Ų75106.8 Ų106.851%0.50752%0.521SS..Hα-helixtrans-59.4-39.2172.9-81.60000111.5L8 T16L8-C12 WeakPolarHBondContact O-CB 3.3Å; L8-C12 PolarHBondContact O-N 2.75Å; L8-C12 PolarHBondContact O-SG 3.04Å; L8-C12 VanDerWaalsContact O-SG 3.35Å; C12-T16 VanDerWaalsContact O-CB 3.26Å; C12-T16 WeakPolarHBondContact O-CB 3.43Å; C12-T16 WeakPolarHBondContact O-CG2 3.25Å; C12-T16 PolarHBondContact O-N 3.45Å; C12-T16 PolarHBondContact O-OG1 2.7Å
13F69.9Low76.8Confident94 Ų94102.5 Ų102.541%0.41251%0.507SS..Hα-helixtrans-61.6-59.2174.3-177.8-97000110V9 L10 L11 L15 T16 H17V9-F13 VanDerWaalsContact O-CB 3.27Å; V9-F13 WeakPolarHBondContact O-CB 3.47Å; V9-F13 PolarHBondContact O-N 2.99Å; L10-F13 WeakPolarHBondContact O-CB 3.42Å; L10-F13 PolarHBondContact O-N 3.05Å; L11-F13 VanDerWaalsContact C-N 3.26Å; L11-F13 PolarHBondContact O-N 2.93Å; F13-L15 PolarHBondContact O-N 2.83Å; F13-T16 PolarHBondContact O-N 3.41Å; F13-H17 AromaticContact CE1-CD2 3.66Å; F13-H17 AromaticContact CE2-CD2 3.75Å; F13-H17 AromaticContact CZ-CD2 3.3Å; F13-H17 WeakPolarHBondContact CZ-CD2 3.41Å; F13-H17 AromaticContact CZ-NE2 3.69Å; F13-H17 WeakPolarHBondContact O-CB 3.43Å; F13-H17 PolarHBondContact O-N 3Å
14L69.8Low78.6Confident115 Ų11592.8 Ų92.860%0.60247%0.47SS*.Hα-helixtrans-59-42.1-178.1-68.8171000113L10 L11L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.17Å; L11-L14 PolarHBondContact O-N 2.93Å
15L66.2Low79.8Confident139 Ų13988.2 Ų88.273%0.72845%0.447SS*.Hα-helixtrans-72.7-26.2-179.2-69.8172.4000113.3L11 F13L11-L15 HydrophobicContact CB-CD1 4.5Å; L11-L15 HydrophobicContact CD2-CD1 3.91Å; L11-L15 HydrophobicContact CD2-CG 4.34Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.19Å; L11-L15 PolarHBondContact O-N 2.93Å; F13-L15 PolarHBondContact O-N 2.83Å
16T67.6Low80.9Confident46 Ų4684.6 Ų84.628%0.28243%0.426SS..Hα-helixtrans-103-4.5-179.968.10000113.4C12 F13 R18 Y68C12-T16 VanDerWaalsContact O-CB 3.26Å; C12-T16 WeakPolarHBondContact O-CB 3.43Å; C12-T16 WeakPolarHBondContact O-CG2 3.25Å; C12-T16 PolarHBondContact O-N 3.45Å; C12-T16 PolarHBondContact O-OG1 2.7Å; F13-T16 PolarHBondContact O-N 3.41Å; T16-R18 PolarHBondContact O-N 3.28Å; T16-Y68 PolarHBondContact O-OH 3.36Å
17H74.3Confident82Confident28 Ų2883.1 Ų83.113%0.1341%0.414CS..  trans-82.7100.3-175.3-167.6-84000111.4F13 W19 R29F13-H17 AromaticContact CE1-CD2 3.66Å; F13-H17 AromaticContact CE2-CD2 3.75Å; F13-H17 AromaticContact CZ-CD2 3.3Å; F13-H17 WeakPolarHBondContact CZ-CD2 3.41Å; F13-H17 AromaticContact CZ-NE2 3.69Å; F13-H17 WeakPolarHBondContact O-CB 3.43Å; F13-H17 PolarHBondContact O-N 3Å; H17-W19 AromaticContact CE1-CD2 3.67Å; H17-W19 AromaticContact CE1-CE2 3.27Å; H17-W19 AromaticContact CE1-CE3 3.93Å; H17-W19 AromaticContact CE1-CH2 3.53Å; H17-W19 AromaticContact CE1-CZ2 3.21Å; H17-W19 WeakPolarHBondContact CE1-CZ2 3.38Å; H17-W19 AromaticContact CE1-CZ3 3.86Å; H17-W19 AromaticContact CE1-NE1 3.82Å; H17-W19 AromaticContact ND1-CD1 3.87Å; H17-W19 AromaticContact ND1-CD2 3.8Å; H17-W19 AromaticContact ND1-CE2 3.31Å; H17-W19 VanDerWaalsContact ND1-CE2 3.31Å; H17-W19 AromaticContact ND1-CZ2 3.64Å; H17-W19 AromaticContact ND1-NE1 3.33Å; H17-W19 PolarHBondContact ND1-NE1 3.34Å; H17-R29 PolarHBondContact CD2-NH1 3.02Å; H17-R29 PolarHBondContact CE1-NH1 3.49Å; H17-R29 PolarHBondContact ND1-NH1 2.85Å; H17-R29 PolarHBondContact NE2-NH1 3.43Å; H17-R29 PolarHBondContact NE2-NH2 3.49Å; H17-R29 VanDerWaalsContact NE2-NH2 3.15Å
18R84.9Confident82.8Confident20 Ų2080.5 Ų80.58%0.07540%0.397CS..PPolyproline II helixtrans-82.2133.1169.9-177.2176.7170.1172.5-1.6110.8T16 E24 L27 R29 Y68 R359 D362T16-R18 PolarHBondContact O-N 3.28Å; R18-E24 IonicContact NH2-OE2 3.66Å; R18-L27 HydrophobicContact CG-CD2 4.24Å; R18-R29 PolarHBondContact O-NH1 2.98Å; R18-Y68 HydrophobicContact CB-CE1 3.76Å; R18-Y68 HydrophobicContact CB-CE2 3.82Å; R18-Y68 WeakPolarHBondContact CB-OH 3.12Å; R18-Y68 HydrophobicContact CG-CE1 4.36Å; R18-Y68 HydrophobicContact CG-CE2 4.5Å; R18-Y68 PolarHBondContact N-OH 2.94Å; R18-Y68 VanDerWaalsContact NH1-CB 3.27Å; R18-R359 VanDerWaalsContact CG-NH1 3.31Å; R18-R359 VanDerWaalsContact NE-CZ 3.33Å; R18-R359 VanDerWaalsContact NE-NH1 3.19Å; R18-R359 VanDerWaalsContact NH2-CD 3.31Å; R18-D362 IonicContact CZ-OD1 3.52Å; R18-D362 IonicContact CZ-OD2 3.4Å; R18-D362 VanDerWaalsContact CZ-OD2 3.25Å; R18-D362 IonicContact NH1-OD1 3.55Å; R18-D362 PolarHBondContact NH1-OD1 3.47Å; R18-D362 IonicContact NH1-OD2 2.67Å; R18-D362 PolarHBondContact NH1-OD2 2.95Å; R18-D362 IonicContact NH2-OD2 3.38Å; R18-D362 PolarHBondContact NH2-OD2 2.77Å
19W86.3Confident83.7Confident185 Ų18579.2 Ų79.270%0.70139%0.386SS*.PPolyproline II helixtrans-95.4144.2166.1-60.695.8000109.9H17 R359H17-W19 AromaticContact CE1-CD2 3.67Å; H17-W19 AromaticContact CE1-CE2 3.27Å; H17-W19 AromaticContact CE1-CE3 3.93Å; H17-W19 AromaticContact CE1-CH2 3.53Å; H17-W19 AromaticContact CE1-CZ2 3.21Å; H17-W19 WeakPolarHBondContact CE1-CZ2 3.38Å; H17-W19 AromaticContact CE1-CZ3 3.86Å; H17-W19 AromaticContact CE1-NE1 3.82Å; H17-W19 AromaticContact ND1-CD1 3.87Å; H17-W19 AromaticContact ND1-CD2 3.8Å; H17-W19 AromaticContact ND1-CE2 3.31Å; H17-W19 VanDerWaalsContact ND1-CE2 3.31Å; H17-W19 AromaticContact ND1-CZ2 3.64Å; H17-W19 AromaticContact ND1-NE1 3.33Å; H17-W19 PolarHBondContact ND1-NE1 3.34Å; W19-R359 PolarHBondContact O-NH1 3.38Å; W19-R359 PolarHBondContact O-NH2 2.93Å
20R92.4Very high84.6Confident120 Ų12075.8 Ų75.845%0.45337%0.369SS..PPolyproline II helixtrans-81.6132.7176176.7-176.6173.3-153.2-0.4110.1E24 P25 L27R20-E24 HydrophobicContact CG-CB 4.11Å; R20-E24 VanDerWaalsContact CZ-O 3.31Å; R20-E24 PolarHBondContact NE-O 3.49Å; R20-E24 PolarHBondContact NH2-O 2.86Å; R20-P25 WeakPolarHBondContact CD-O 3.26Å; R20-P25 PolarHBondContact NE-O 3.27Å; R20-L27 HydrophobicContact CB-CB 3.98Å; R20-L27 HydrophobicContact CB-CD2 4.16Å; R20-L27 HydrophobicContact CG-CB 4.32Å
21Y91.1Very high85.3Confident145 Ų14579.4 Ų79.457%0.56939%0.388SS*.PPolyproline II helixtrans-84.6151.4165-61.3-51.3000110.5A23 E24 R359Y21-A23 PolarHBondContact O-N 2.89Å; Y21-A23 VanDerWaalsContact O-N 3.13Å; Y21-E24 WeakPolarHBondContact CD2-OE1 3.46Å; Y21-E24 PolarHBondContact N-OE2 3.44Å; Y21-E24 VanDerWaalsContact N-OE2 3.14Å; Y21-E24 WeakPolarHBondContact O-CB 3.39Å; Y21-E24 PolarHBondContact O-N 2.7Å; Y21-R359 VanDerWaalsContact CE2-NH2 3.28Å
22K90.3Very high86Confident211 Ų21179.5 Ų79.592%0.91739%0.388SS*.THydrogen-bonded Turntrans-55.3-36-175.7-172.2179.2178.5-176.50113E24K22-E24 PolarHBondContact O-N 3.27Å
23A94Very high86.8Confident58 Ų5879.9 Ų79.948%0.47939%0.39SS..THydrogen-bonded Turntrans-76.4-2.1179.100000114.3Y21 Y356 L357Y21-A23 PolarHBondContact O-N 2.89Å; Y21-A23 VanDerWaalsContact O-N 3.13Å; A23-Y356 CarbonylContact O-C 3.56Å; A23-Y356 WeakPolarHBondContact O-CA 3.5Å; A23-L357 HydrophobicContact CB-CB 4.27Å; A23-L357 PolarHBondContact O-N 2.78Å
24E97.3Very high87.7Confident2 Ų282.2 Ų82.21%0.00940%0.396CS..SBendtrans-95.1158.6-178.4-66176.9179.300112.5R18 R20 Y21 K22 L357 R359R18-E24 IonicContact NH2-OE2 3.66Å; R20-E24 HydrophobicContact CG-CB 4.11Å; R20-E24 VanDerWaalsContact CZ-O 3.31Å; R20-E24 PolarHBondContact NE-O 3.49Å; R20-E24 PolarHBondContact NH2-O 2.86Å; Y21-E24 WeakPolarHBondContact CD2-OE1 3.46Å; Y21-E24 PolarHBondContact N-OE2 3.44Å; Y21-E24 VanDerWaalsContact N-OE2 3.14Å; Y21-E24 WeakPolarHBondContact O-CB 3.39Å; Y21-E24 PolarHBondContact O-N 2.7Å; K22-E24 PolarHBondContact O-N 3.27Å; E24-L357 HydrophobicContact CG-CB 4.19Å; E24-R359 IonicContact OE1-CZ 3.87Å; E24-R359 IonicContact OE1-NE 3.19Å; E24-R359 PolarHBondContact OE1-NE 3.06Å; E24-R359 IonicContact OE1-NH2 2.66Å; E24-R359 PolarHBondContact OE1-NH2 3.05Å; E24-R359 IonicContact OE2-CZ 3.19Å; E24-R359 IonicContact OE2-NE 3.67Å; E24-R359 IonicContact OE2-NH2 2.73Å; E24-R359 PolarHBondContact OE2-NH2 3.08Å
25P98Very high88.5Confident1 Ų178.7 Ų78.71%0.00638%0.378CS..PPolyproline II helixtrans-53.6153.5170.1-25.534.9000112.5R20 L27 I59 T70 Y356 L357R20-P25 WeakPolarHBondContact CD-O 3.26Å; R20-P25 PolarHBondContact NE-O 3.27Å; P25-L27 PolarHBondContact O-N 3.24Å; P25-I59 HydrophobicContact CB-CD1 4.48Å; P25-I59 HydrophobicContact CB-CG1 4.1Å; P25-I59 HydrophobicContact CG-CD1 3.85Å; P25-I59 HydrophobicContact CG-CG1 3.97Å; P25-T70 HydrophobicContact CB-CG2 4.43Å; P25-T70 HydrophobicContact CG-CG2 3.93Å; P25-Y356 HydrophobicContact CB-CD1 4.21Å; P25-Y356 HydrophobicContact CG-CD1 3.86Å; P25-Y356 HydrophobicContact CG-CG 4.17Å; P25-L357 WeakPolarHBondContact CD-O 3.29Å
26P98.1Very high89.8Confident24 Ų2472.4 Ų72.416%0.15635%0.347CS..PPolyproline II helixtrans-48.1128.4169.4-26.834.6000111.4H56 I59 F60 T61P26-H56 HydrophobicContact CB-CB 4.13Å; P26-H56 HydrophobicContact CG-CB 4.43Å; P26-I59 WeakPolarHBondContact CD-O 3.33Å; P26-F60 HydrophobicContact CB-CB 4.45Å; P26-F60 CarbonylContact O-C 3.55Å; P26-F60 WeakPolarHBondContact O-CA 3.4Å; P26-T61 PolarHBondContact O-N 2.97Å
27L97.6Very high91.1Very high34 Ų3471.3 Ų71.318%0.17834%0.338CS..EExtended strand (participates in β ladder)trans-105.8120.4-176.1176.262.3000110.5R18 R20 P25 R29 T61 Y68R18-L27 HydrophobicContact CG-CD2 4.24Å; R20-L27 HydrophobicContact CB-CB 3.98Å; R20-L27 HydrophobicContact CB-CD2 4.16Å; R20-L27 HydrophobicContact CG-CB 4.32Å; P25-L27 PolarHBondContact O-N 3.24Å; L27-R29 HydrophobicContact CD1-CG 4.13Å; L27-R29 HydrophobicContact CD2-CG 4.15Å; L27-R29 HydrophobicContact CG-CG 3.88Å; L27-T61 CarbonylContact C-O 3.55Å; L27-T61 WeakPolarHBondContact CA-O 3.33Å; L27-T61 HydrophobicContact CD1-CG2 3.77Å; L27-Y68 HydrophobicContact CD1-CD1 3.78Å; L27-Y68 HydrophobicContact CD1-CE1 3.97Å
28D97.1Very high92Very high19 Ų1971.1 Ų71.110%0.10234%0.341CS..EExtended strand (participates in β ladder)trans-120109.4175.7-163-39.4000111.1G30 H37 K55 H56 T61 V62 R63D28-G30 PolarHBondContact OD1-N 3.07Å; D28-H37 PolarHBondContact O-CD2 3.12Å; D28-H37 IonicContact OD1-CD2 2.84Å; D28-H37 IonicContact OD1-CE1 3.25Å; D28-H37 IonicContact OD1-NE2 3.75Å; D28-H37 PolarHBondContact OD1-NE2 2.79Å; D28-K55 IonicContact OD2-NZ 3.44Å; D28-K55 PolarHBondContact OD2-NZ 3.31Å; D28-H56 IonicContact OD2-CE1 2.73Å; D28-H56 IonicContact OD2-NE2 2.83Å; D28-H56 PolarHBondContact OD2-NE2 3.01Å; D28-T61 PolarHBondContact N-O 3.44Å; D28-V62 VanDerWaalsContact O-CA 3.24Å; D28-V62 WeakPolarHBondContact O-CA 3.36Å; D28-R63 PolarHBondContact O-N 2.85Å; D28-R63 VanDerWaalsContact O-N 3.13Å
29R94.3Very high92.3Very high71 Ų7176 Ų7627%0.26837%0.368SS..  trans-92.4-10.6-169.6-60.8177.8-66.8174.911113.8H17 R18 L27 G36 R63 Y68H17-R29 PolarHBondContact CD2-NH1 3.02Å; H17-R29 PolarHBondContact CE1-NH1 3.49Å; H17-R29 PolarHBondContact ND1-NH1 2.85Å; H17-R29 PolarHBondContact NE2-NH1 3.43Å; H17-R29 PolarHBondContact NE2-NH2 3.49Å; H17-R29 VanDerWaalsContact NE2-NH2 3.15Å; R18-R29 PolarHBondContact O-NH1 2.98Å; L27-R29 HydrophobicContact CD1-CG 4.13Å; L27-R29 HydrophobicContact CD2-CG 4.15Å; L27-R29 HydrophobicContact CG-CG 3.88Å; R29-G36 WeakPolarHBondContact O-CA 3.09Å; R29-R63 HydrophobicContact CB-CB 4.37Å; R29-R63 PolarHBondContact O-NE 3.41Å; R29-R63 PolarHBondContact O-NH2 2.86Å; R29-R63 VanDerWaalsContact O-NH2 3.16Å; R29-Y68 HydrophobicContact CG-CE1 4.49Å
30G93Very high92.7Very high22 Ų2270.8 Ų70.823%0.22735%0.352CS..  trans65.1172.6-167.400000112.9D28 H37D28-G30 PolarHBondContact OD1-N 3.07Å; G30-H37 VanDerWaalsContact CA-CE1 3.43Å; G30-H37 WeakPolarHBondContact CA-CE1 3.26Å; G30-H37 WeakPolarHBondContact CA-NE2 3.39Å; G30-H37 PolarHBondContact N-NE2 2.98Å; G30-H37 VanDerWaalsContact N-NE2 3.15Å
31L89.1Confident92.7Very high176 Ų17666.8 Ų66.892%0.92134%0.338SS*.SBendtrans-80.7-29-175.7-61.8174.9000112.9P33L31-P33 WeakPolarHBondContact O-CD 3.32Å
32I87.2Confident92.7Very high84 Ų8461 Ų6143%0.43132%0.321SS..SBendtrans-84.4117.7-174.4-52.1174.7000109.4L35 G36 R63I32-L35 HydrophobicContact CB-CB 4.19Å; I32-L35 HydrophobicContact CD1-CD2 4.08Å; I32-L35 HydrophobicContact CG2-CB 3.7Å; I32-L35 HydrophobicContact CG2-CD2 3.99Å; I32-L35 HydrophobicContact CG2-CG 4.45Å; I32-G36 WeakPolarHBondContact O-CA 3.42Å; I32-G36 PolarHBondContact O-N 2.84Å; I32-R63 PolarHBondContact O-NH2 2.9Å
33P85.4Confident92.8Very high83 Ų8358.9 Ų58.954%0.53931%0.312SS..THydrogen-bonded Turntrans-54.9141.5176.9-25.435.5000112L31 L35L31-P33 WeakPolarHBondContact O-CD 3.32Å; P33-L35 PolarHBondContact O-N 3.4Å
34W86.9Confident92.9Very high143 Ų14358.1 Ų58.154%0.54230%0.3SS..THydrogen-bonded Turntrans61-51.8-175.3-176.293.2000115.5G36 G66W34-G36 PolarHBondContact O-N 2.67Å; W34-G66 WeakPolarHBondContact O-CA 3.35Å; W34-G66 PolarHBondContact O-N 2.88Å
35L87.9Confident92.9Very high42 Ų4258.2 Ų58.222%0.2230%0.301CS..THydrogen-bonded Turntrans-65-39.8-178.2-170.365.4000112.4I32 P33 H37 A38 L39 A64 A65I32-L35 HydrophobicContact CB-CB 4.19Å; I32-L35 HydrophobicContact CD1-CD2 4.08Å; I32-L35 HydrophobicContact CG2-CB 3.7Å; I32-L35 HydrophobicContact CG2-CD2 3.99Å; I32-L35 HydrophobicContact CG2-CG 4.45Å; P33-L35 PolarHBondContact O-N 3.4Å; L35-H37 PolarHBondContact O-N 2.86Å; L35-A38 HydrophobicContact CD1-CB 3.67Å; L35-A38 HydrophobicContact CG-CB 4.05Å; L35-A38 WeakPolarHBondContact O-CB 3.42Å; L35-A38 PolarHBondContact O-N 3.01Å; L35-L39 HydrophobicContact CD2-CD1 4Å; L35-L39 HydrophobicContact CD2-CG 4.04Å; L35-A64 WeakPolarHBondContact O-CA 3.29Å; L35-A65 PolarHBondContact O-N 2.91Å
36G92.7Very high92.9Very high7 Ų758.5 Ų58.57%0.07230%0.304CS..BIsolated β-bridgetrans53.9-125.3-17600000112.3R29 I32 W34 R63R29-G36 WeakPolarHBondContact O-CA 3.09Å; I32-G36 WeakPolarHBondContact O-CA 3.42Å; I32-G36 PolarHBondContact O-N 2.84Å; W34-G36 PolarHBondContact O-N 2.67Å; G36-R63 CarbonylContact C-O 3.37Å; G36-R63 WeakPolarHBondContact CA-O 3.48Å
37H95.4Very high92.9Very high22 Ų2264.6 Ų64.610%0.10233%0.328CS..THydrogen-bonded Turntrans-90.510.5-176.4-65.5-65.7000114.3D28 G30 L35 L39 E40 F41 F48 R63D28-H37 PolarHBondContact O-CD2 3.12Å; D28-H37 IonicContact OD1-CD2 2.84Å; D28-H37 IonicContact OD1-CE1 3.25Å; D28-H37 IonicContact OD1-NE2 3.75Å; D28-H37 PolarHBondContact OD1-NE2 2.79Å; G30-H37 VanDerWaalsContact CA-CE1 3.43Å; G30-H37 WeakPolarHBondContact CA-CE1 3.26Å; G30-H37 WeakPolarHBondContact CA-NE2 3.39Å; G30-H37 PolarHBondContact N-NE2 2.98Å; G30-H37 VanDerWaalsContact N-NE2 3.15Å; L35-H37 PolarHBondContact O-N 2.86Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 3.4Å; H37-E40 PolarHBondContact O-N 3.46Å; H37-F41 VanDerWaalsContact O-CB 3.32Å; H37-F41 WeakPolarHBondContact O-CB 3.21Å; H37-F41 PolarHBondContact O-N 3.36Å; H37-F48 HydrophobicContact CB-CE1 4.48Å; H37-F48 HydrophobicContact CB-CE2 3.6Å; H37-F48 HydrophobicContact CB-CZ 3.51Å; H37-F48 AromaticContact CD2-CZ 3.95Å; H37-F48 AromaticContact CG-CE2 3.58Å; H37-F48 AromaticContact CG-CZ 3.58Å; H37-F48 AromaticContact ND1-CE2 3.61Å; H37-R63 PolarHBondContact N-O 3.46Å
38A92.6Very high92.9Very high24 Ų2463 Ų6320%0.19832%0.32CS..Hα-helixtrans-55.4-41.8-170.200000114.7L35 G42 A64 A65L35-A38 HydrophobicContact CD1-CB 3.67Å; L35-A38 HydrophobicContact CG-CB 4.05Å; L35-A38 WeakPolarHBondContact O-CB 3.42Å; L35-A38 PolarHBondContact O-N 3.01Å; A38-G42 PolarHBondContact O-N 2.97Å; A38-A64 HydrophobicContact CB-CB 4.38Å; A38-A65 HydrophobicContact CB-CB 3.95Å
39L91.8Very high93Very high122 Ų12262.1 Ų62.164%0.63932%0.315SS*.Hα-helixtrans-67.6-43.6-179.1-65.6176.7000111.6L35 H37 G42 K43L35-L39 HydrophobicContact CD2-CD1 4Å; L35-L39 HydrophobicContact CD2-CG 4.04Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 3.4Å; L39-G42 PolarHBondContact O-N 3.41Å; L39-K43 VanDerWaalsContact O-CB 3.32Å; L39-K43 WeakPolarHBondContact O-CB 3.22Å; L39-K43 PolarHBondContact O-N 3.32Å
40E94.1Very high93.2Very high77 Ų7761.7 Ų61.736%0.3632%0.32SS..Hα-helixtrans-71.8-44-178.9-167.5176.1-172.200111.7H37 G42 K43 D44 F48 R51H37-E40 PolarHBondContact O-N 3.46Å; E40-G42 VanDerWaalsContact C-N 3.26Å; E40-G42 PolarHBondContact O-N 2.86Å; E40-K43 PolarHBondContact O-N 3.17Å; E40-D44 PolarHBondContact O-N 2.84Å; E40-D44 VanDerWaalsContact O-N 3.17Å; E40-F48 HydrophobicContact CB-CD2 4.11Å; E40-F48 HydrophobicContact CG-CB 4.37Å; E40-F48 HydrophobicContact CG-CD2 3.8Å; E40-F48 HydrophobicContact CG-CG 4.48Å; E40-R51 IonicContact OE1-CZ 3.67Å; E40-R51 IonicContact OE1-NH1 3.66Å; E40-R51 PolarHBondContact OE1-NH1 2.92Å; E40-R51 IonicContact OE1-NH2 2.75Å; E40-R51 PolarHBondContact OE1-NH2 3.25Å; E40-R51 IonicContact OE2-CZ 2.82Å; E40-R51 IonicContact OE2-NH1 3.29Å; E40-R51 PolarHBondContact OE2-NH1 3.49Å; E40-R51 IonicContact OE2-NH2 2.99Å; E40-R51 PolarHBondContact OE2-NH2 3.21Å
41F93.8Very high93.4Very high36 Ų3665.6 Ų65.616%0.15833%0.328CS..Hα-helixtrans-57.6-41.9173.3-166.3-71.1000111.1H37 A45 F48 I49 F337H37-F41 VanDerWaalsContact O-CB 3.32Å; H37-F41 WeakPolarHBondContact O-CB 3.21Å; H37-F41 PolarHBondContact O-N 3.36Å; F41-A45 HydrophobicContact CD1-CB 4.26Å; F41-A45 HydrophobicContact CE1-CB 4.09Å; F41-A45 WeakPolarHBondContact O-CA 3.49Å; F41-A45 WeakPolarHBondContact O-CB 3.38Å; F41-A45 PolarHBondContact O-N 2.95Å; F41-F48 HydrophobicContact CB-CD1 4.23Å; F41-F48 HydrophobicContact CB-CE1 4.49Å; F41-F48 AromaticContact CD2-CD1 3.48Å; F41-F48 HydrophobicContact CD2-CD1 3.48Å; F41-F48 VanDerWaalsContact CD2-CD1 3.48Å; F41-F48 AromaticContact CD2-CE1 3.52Å; F41-F48 HydrophobicContact CD2-CE1 3.52Å; F41-F48 HydrophobicContact CE2-CD1 4.18Å; F41-F48 HydrophobicContact CE2-CE1 4.23Å; F41-F48 HydrophobicContact CG-CD1 4.2Å; F41-F48 HydrophobicContact CG-CE1 4.46Å; F41-I49 HydrophobicContact CE2-CD1 3.99Å; F41-I49 HydrophobicContact CE2-CG1 4.1Å; F41-I49 HydrophobicContact CZ-CD1 4.03Å; F41-F337 AromaticContact CE1-CE2 3.87Å; F41-F337 HydrophobicContact CE1-CE2 3.87Å; F41-F337 AromaticContact CE1-CZ 3.72Å; F41-F337 HydrophobicContact CE1-CZ 3.72Å; F41-F337 HydrophobicContact CZ-CE1 4.46Å; F41-F337 HydrophobicContact CZ-CE2 4.27Å; F41-F337 AromaticContact CZ-CZ 3.87Å; F41-F337 HydrophobicContact CZ-CZ 3.87Å
42G90.8Very high93.9Very high22 Ų2257.4 Ų57.423%0.22729%0.285CS..Hα-helixtrans-74.9-26.4-179.600000114.8A38 L39 E40A38-G42 PolarHBondContact O-N 2.97Å; L39-G42 PolarHBondContact O-N 3.41Å; E40-G42 VanDerWaalsContact C-N 3.26Å; E40-G42 PolarHBondContact O-N 2.86Å
43K92.1Very high94.4Very high167 Ų16755.3 Ų55.373%0.72627%0.273SS*.Hα-helixtrans-77-48.3179.5-174.8-179-178.4-179.10111.8L39 E40 A459L39-K43 VanDerWaalsContact O-CB 3.32Å; L39-K43 WeakPolarHBondContact O-CB 3.22Å; L39-K43 PolarHBondContact O-N 3.32Å; E40-K43 PolarHBondContact O-N 3.17Å; K43-A459 WeakPolarHBondContact O-CB 3.42Å
44D96.2Very high95Very high43 Ų4358.6 Ų58.623%0.2329%0.285CS..  trans-154.490.4178.5-174.9-19.9000109.7E40 A46 K47 F48 A459 Y462E40-D44 PolarHBondContact O-N 2.84Å; E40-D44 VanDerWaalsContact O-N 3.17Å; D44-A46 VanDerWaalsContact C-N 3.33Å; D44-A46 PolarHBondContact O-N 2.84Å; D44-A46 PolarHBondContact OD1-N 3Å; D44-K47 HydrophobicContact CB-CB 4.14Å; D44-K47 WeakPolarHBondContact OD1-CB 3.46Å; D44-K47 PolarHBondContact OD1-N 2.95Å; D44-K47 WeakPolarHBondContact OD2-CB 3.37Å; D44-F48 WeakPolarHBondContact O-CB 3.26Å; D44-F48 PolarHBondContact O-N 3.08Å; D44-A459 HydrophobicContact CB-CB 4.02Å; D44-Y462 VanDerWaalsContact OD1-CE2 3.3Å; D44-Y462 WeakPolarHBondContact OD1-CE2 3.25Å
45A97.4Very high95.6Very high3 Ų358 Ų583%0.02529%0.286CS..Hα-helixtrans-65-35.5-176.600000112.6F41 F48 I49 F337F41-A45 HydrophobicContact CD1-CB 4.26Å; F41-A45 HydrophobicContact CE1-CB 4.09Å; F41-A45 WeakPolarHBondContact O-CA 3.49Å; F41-A45 WeakPolarHBondContact O-CB 3.38Å; F41-A45 PolarHBondContact O-N 2.95Å; A45-F48 PolarHBondContact O-N 3.06Å; A45-I49 HydrophobicContact CB-CD1 4.4Å; A45-I49 VanDerWaalsContact O-CB 3.24Å; A45-I49 WeakPolarHBondContact O-CB 3.4Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 WeakPolarHBondContact O-CG1 3.37Å; A45-I49 PolarHBondContact O-N 3.07Å; A45-F337 HydrophobicContact CB-CE1 4.43Å; A45-F337 HydrophobicContact CB-CZ 3.71Å
46A97.9Very high96.1Very high7 Ų758.2 Ų58.26%0.05829%0.286CS..Hα-helixtrans-67.4-46.2-178.900000111.6D44 T50 F367 F369 Y462D44-A46 VanDerWaalsContact C-N 3.33Å; D44-A46 PolarHBondContact O-N 2.84Å; D44-A46 PolarHBondContact OD1-N 3Å; A46-T50 VanDerWaalsContact O-CB 3.27Å; A46-T50 WeakPolarHBondContact O-CB 3.5Å; A46-T50 PolarHBondContact O-N 2.85Å; A46-T50 PolarHBondContact O-OG1 3.42Å; A46-F367 HydrophobicContact CB-CE1 4.05Å; A46-F369 HydrophobicContact CB-CD1 3.97Å; A46-F369 HydrophobicContact CB-CE1 3.88Å; A46-Y462 HydrophobicContact CB-CD1 4.08Å; A46-Y462 HydrophobicContact CB-CD2 3.98Å; A46-Y462 HydrophobicContact CB-CE1 3.66Å; A46-Y462 HydrophobicContact CB-CE2 3.57Å; A46-Y462 HydrophobicContact CB-CG 4.25Å; A46-Y462 VanDerWaalsContact CB-CZ 3.41Å
47K97.8Very high96.3Very high153 Ų15359.4 Ų59.467%0.66530%0.299SS*.Hα-helixtrans-62.8-44.8175.5-174173.3-178.2172.50111.5D44 R51D44-K47 HydrophobicContact CB-CB 4.14Å; D44-K47 WeakPolarHBondContact OD1-CB 3.46Å; D44-K47 PolarHBondContact OD1-N 2.95Å; D44-K47 WeakPolarHBondContact OD2-CB 3.37Å; K47-R51 PolarHBondContact O-N 3.43Å; K47-R51 VanDerWaalsContact O-N 3.09Å
48F98.3Very high96.4Very high1 Ų161.1 Ų61.10%0.00431%0.308CS..Hα-helixtrans-58.8-52.7177.2173.4-97.4000112.3H37 E40 F41 D44 A45 T50 R51 M52 V62H37-F48 HydrophobicContact CB-CE1 4.48Å; H37-F48 HydrophobicContact CB-CE2 3.6Å; H37-F48 HydrophobicContact CB-CZ 3.51Å; H37-F48 AromaticContact CD2-CZ 3.95Å; H37-F48 AromaticContact CG-CE2 3.58Å; H37-F48 AromaticContact CG-CZ 3.58Å; H37-F48 AromaticContact ND1-CE2 3.61Å; E40-F48 HydrophobicContact CB-CD2 4.11Å; E40-F48 HydrophobicContact CG-CB 4.37Å; E40-F48 HydrophobicContact CG-CD2 3.8Å; E40-F48 HydrophobicContact CG-CG 4.48Å; F41-F48 HydrophobicContact CB-CD1 4.23Å; F41-F48 HydrophobicContact CB-CE1 4.49Å; F41-F48 AromaticContact CD2-CD1 3.48Å; F41-F48 HydrophobicContact CD2-CD1 3.48Å; F41-F48 VanDerWaalsContact CD2-CD1 3.48Å; F41-F48 AromaticContact CD2-CE1 3.52Å; F41-F48 HydrophobicContact CD2-CE1 3.52Å; F41-F48 HydrophobicContact CE2-CD1 4.18Å; F41-F48 HydrophobicContact CE2-CE1 4.23Å; F41-F48 HydrophobicContact CG-CD1 4.2Å; F41-F48 HydrophobicContact CG-CE1 4.46Å; D44-F48 WeakPolarHBondContact O-CB 3.26Å; D44-F48 PolarHBondContact O-N 3.08Å; A45-F48 PolarHBondContact O-N 3.06Å; F48-T50 PolarHBondContact O-N 2.75Å; F48-R51 PolarHBondContact O-N 2.82Å; F48-M52 HydrophobicContact CD1-CG 4.48Å; F48-M52 HydrophobicContact CE1-CG 3.94Å; F48-M52 HydrophobicContact CE2-CE 3.69Å; F48-M52 HydrophobicContact CE2-CG 4.03Å; F48-M52 HydrophobicContact CZ-CE 3.99Å; F48-M52 HydrophobicContact CZ-CG 3.7Å; F48-M52 HydrophobicContact CZ-SD 4.47Å; F48-M52 WeakPolarHBondContact O-CG 3Å; F48-M52 PolarHBondContact O-N 3.09Å; F48-V62 HydrophobicContact CE1-CG1 4.12Å; F48-V62 HydrophobicContact CE1-CG2 4.35Å; F48-V62 HydrophobicContact CZ-CB 4.41Å; F48-V62 HydrophobicContact CZ-CG1 3.94Å
49I98.6Very high96.7Very high0 Ų060.2 Ų60.20%030%0.3CS..Hα-helixtrans-65.6-39.6-177.3-69169000110.5F41 A45 R51 M52 K53 F60 L71 L73 F337 F367 V370F41-I49 HydrophobicContact CE2-CD1 3.99Å; F41-I49 HydrophobicContact CE2-CG1 4.1Å; F41-I49 HydrophobicContact CZ-CD1 4.03Å; A45-I49 HydrophobicContact CB-CD1 4.4Å; A45-I49 VanDerWaalsContact O-CB 3.24Å; A45-I49 WeakPolarHBondContact O-CB 3.4Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 WeakPolarHBondContact O-CG1 3.37Å; A45-I49 PolarHBondContact O-N 3.07Å; I49-R51 PolarHBondContact O-N 3.03Å; I49-M52 PolarHBondContact O-N 3.48Å; I49-K53 WeakPolarHBondContact O-CB 3.39Å; I49-K53 PolarHBondContact O-N 3.17Å; I49-F60 HydrophobicContact CG2-CZ 4.32Å; I49-L71 HydrophobicContact CD1-CD1 3.9Å; I49-L71 HydrophobicContact CG1-CD1 4.27Å; I49-L73 HydrophobicContact CG2-CD1 3.6Å; I49-L73 HydrophobicContact CG2-CD2 3.84Å; I49-L73 HydrophobicContact CG2-CG 4.33Å; I49-F337 HydrophobicContact CD1-CE1 4.11Å; I49-F367 HydrophobicContact CD1-CB 4.3Å; I49-F367 HydrophobicContact CD1-CD1 3.47Å; I49-F367 VanDerWaalsContact CD1-CD1 3.47Å; I49-F367 HydrophobicContact CD1-CE1 4.06Å; I49-F367 HydrophobicContact CD1-CG 4.19Å; I49-F367 HydrophobicContact CG2-CD1 4.43Å; I49-V370 HydrophobicContact CB-CG2 4.3Å; I49-V370 HydrophobicContact CG2-CB 4.41Å; I49-V370 HydrophobicContact CG2-CG1 4.35Å; I49-V370 HydrophobicContact CG2-CG2 3.99Å
50T98.2Very high97Very high62 Ų6254.4 Ų54.438%0.3827%0.27SS..Hα-helixtrans-61-44.8176.8-58.70000111.4A46 F48 M52 K53 L54A46-T50 VanDerWaalsContact O-CB 3.27Å; A46-T50 WeakPolarHBondContact O-CB 3.5Å; A46-T50 PolarHBondContact O-N 2.85Å; A46-T50 PolarHBondContact O-OG1 3.42Å; F48-T50 PolarHBondContact O-N 2.75Å; T50-M52 VanDerWaalsContact C-N 3.34Å; T50-M52 PolarHBondContact O-N 3.05Å; T50-K53 WeakPolarHBondContact O-CB 3.37Å; T50-K53 PolarHBondContact O-N 3.41Å; T50-L54 WeakPolarHBondContact O-CG 3.46Å; T50-L54 PolarHBondContact O-N 3.43Å
51R98.2Very high97.2Very high103 Ų10350.9 Ų50.939%0.38925%0.253SS..Hα-helixtrans-63.1-40.8174.9-175.3-168.763.1-159.2-6.4111.9E40 K47 F48 I49 K53 L54 K55E40-R51 IonicContact OE1-CZ 3.67Å; E40-R51 IonicContact OE1-NH1 3.66Å; E40-R51 PolarHBondContact OE1-NH1 2.92Å; E40-R51 IonicContact OE1-NH2 2.75Å; E40-R51 PolarHBondContact OE1-NH2 3.25Å; E40-R51 IonicContact OE2-CZ 2.82Å; E40-R51 IonicContact OE2-NH1 3.29Å; E40-R51 PolarHBondContact OE2-NH1 3.49Å; E40-R51 IonicContact OE2-NH2 2.99Å; E40-R51 PolarHBondContact OE2-NH2 3.21Å; K47-R51 PolarHBondContact O-N 3.43Å; K47-R51 VanDerWaalsContact O-N 3.09Å; F48-R51 PolarHBondContact O-N 2.82Å; I49-R51 PolarHBondContact O-N 3.03Å; R51-K53 VanDerWaalsContact C-N 3.35Å; R51-L54 PolarHBondContact O-N 3.43Å; R51-K55 PolarHBondContact O-N 3.17Å
52M98.5Very high97.4Very high5 Ų549.1 Ų49.13%0.02525%0.246CC..Hα-helixtrans-68.3-34177.6-70.6-65.2161.400112.4F48 I49 T50 K55 H56 F60F48-M52 HydrophobicContact CD1-CG 4.48Å; F48-M52 HydrophobicContact CE1-CG 3.94Å; F48-M52 HydrophobicContact CE2-CE 3.69Å; F48-M52 HydrophobicContact CE2-CG 4.03Å; F48-M52 HydrophobicContact CZ-CE 3.99Å; F48-M52 HydrophobicContact CZ-CG 3.7Å; F48-M52 HydrophobicContact CZ-SD 4.47Å; F48-M52 WeakPolarHBondContact O-CG 3Å; F48-M52 PolarHBondContact O-N 3.09Å; I49-M52 PolarHBondContact O-N 3.48Å; T50-M52 VanDerWaalsContact C-N 3.34Å; T50-M52 PolarHBondContact O-N 3.05Å; M52-K55 PolarHBondContact O-N 3.12Å; M52-K55 HydrophobicContact SD-CD 4.45Å; M52-H56 WeakPolarHBondContact O-CB 3.42Å; M52-H56 PolarHBondContact O-N 3.16Å; M52-F60 HydrophobicContact CB-CD1 4.5Å; M52-F60 HydrophobicContact CB-CD2 4.04Å; M52-F60 HydrophobicContact CB-CE1 3.91Å; M52-F60 HydrophobicContact CB-CE2 3.38Å; M52-F60 HydrophobicContact CB-CZ 3.3Å; M52-F60 HydrophobicContact CG-CE2 4.13Å; M52-F60 HydrophobicContact CG-CZ 4.45Å
53K98.4Very high97.7Very high40 Ų4048.9 Ų48.917%0.17424%0.238CC..Hα-helixtrans-59.5-46.2170.2-175.4-174.7175.3-173.50111.2I49 T50 R51 K55 G57 N58 L73 V370 D375I49-K53 WeakPolarHBondContact O-CB 3.39Å; I49-K53 PolarHBondContact O-N 3.17Å; T50-K53 WeakPolarHBondContact O-CB 3.37Å; T50-K53 PolarHBondContact O-N 3.41Å; R51-K53 VanDerWaalsContact C-N 3.35Å; K53-K55 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 3.32Å; K53-G57 WeakPolarHBondContact CA-O 3.38Å; K53-G57 VanDerWaalsContact O-CA 3.26Å; K53-G57 WeakPolarHBondContact O-CA 3.28Å; K53-G57 PolarHBondContact O-N 3.15Å; K53-N58 WeakPolarHBondContact CE-OD1 3.46Å; K53-L73 HydrophobicContact CB-CD1 3.7Å; K53-L73 HydrophobicContact CD-CD1 4.06Å; K53-L73 HydrophobicContact CG-CD1 3.92Å; K53-V370 HydrophobicContact CD-CG1 4.15Å; K53-D375 IonicContact NZ-OD2 2.78Å; K53-D375 PolarHBondContact NZ-OD2 2.85Å
54L97.9Very high97.8Very high151 Ų15141.7 Ų41.779%0.79121%0.21SC*.Hα-helixtrans-62.3-35.5176.6-69.1171.5000112.3T50 R51T50-L54 WeakPolarHBondContact O-CG 3.46Å; T50-L54 PolarHBondContact O-N 3.43Å; R51-L54 PolarHBondContact O-N 3.43Å
55K98.3Very high97.5Very high132 Ų13242 Ų4257%0.57422%0.218SC*.Hα-helixtrans-78.4-40.1-178.4-173.9177173.7-170.90113.5D28 R51 M52 K53D28-K55 IonicContact OD2-NZ 3.44Å; D28-K55 PolarHBondContact OD2-NZ 3.31Å; R51-K55 PolarHBondContact O-N 3.17Å; M52-K55 PolarHBondContact O-N 3.12Å; M52-K55 HydrophobicContact SD-CD 4.45Å; K53-K55 VanDerWaalsContact C-N 3.27Å; K53-K55 PolarHBondContact O-N 3.32Å
56H98.2Very high97.1Very high45 Ų4543.2 Ų43.221%0.20823%0.231CC..Hα-helixtrans-122.5-5.9-165.8-59.4-66.8000114.4P26 D28 M52 F60P26-H56 HydrophobicContact CB-CB 4.13Å; P26-H56 HydrophobicContact CG-CB 4.43Å; D28-H56 IonicContact OD2-CE1 2.73Å; D28-H56 IonicContact OD2-NE2 2.83Å; D28-H56 PolarHBondContact OD2-NE2 3.01Å; M52-H56 WeakPolarHBondContact O-CB 3.42Å; M52-H56 PolarHBondContact O-N 3.16Å; H56-F60 HydrophobicContact CB-CB 3.61Å; H56-F60 HydrophobicContact CB-CD1 4.07Å; H56-F60 HydrophobicContact CB-CG 4.03Å
57G97.8Very high96.9Very high33 Ų3348 Ų4834%0.3425%0.248SC..  trans87.7-157.4-176.300000113.6K53 I59K53-G57 WeakPolarHBondContact CA-O 3.38Å; K53-G57 VanDerWaalsContact O-CA 3.26Å; K53-G57 WeakPolarHBondContact O-CA 3.28Å; K53-G57 PolarHBondContact O-N 3.15Å; G57-I59 VanDerWaalsContact C-N 3.32Å; G57-I59 PolarHBondContact O-N 3.4Å
58N97.9Very high96.8Very high57 Ų5742.1 Ų42.131%0.30522%0.222SC..SBendtrans-80.4-6.5-171.5-70.1-45000114.7K53 L73 D74K53-N58 WeakPolarHBondContact CE-OD1 3.46Å; N58-L73 PolarHBondContact O-N 3.22Å; N58-D74 HydrophobicContact CB-CB 3.87Å
59I98.6Very high96.8Very high6 Ų642.7 Ų42.73%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-142.6131.7175.5-169.2175.2000110.8P25 P26 G57 T70 L71 L72 L348 M350 Y356P25-I59 HydrophobicContact CB-CD1 4.48Å; P25-I59 HydrophobicContact CB-CG1 4.1Å; P25-I59 HydrophobicContact CG-CD1 3.85Å; P25-I59 HydrophobicContact CG-CG1 3.97Å; P26-I59 WeakPolarHBondContact CD-O 3.33Å; G57-I59 VanDerWaalsContact C-N 3.32Å; G57-I59 PolarHBondContact O-N 3.4Å; I59-T70 HydrophobicContact CD1-CG2 4.28Å; I59-T70 HydrophobicContact CG1-CG2 4Å; I59-L71 VanDerWaalsContact CA-O 3.28Å; I59-L71 WeakPolarHBondContact CA-O 3.32Å; I59-L72 HydrophobicContact CB-CD1 4.31Å; I59-L72 HydrophobicContact CD1-CD1 4.36Å; I59-L72 HydrophobicContact CG1-CD1 4.44Å; I59-L348 HydrophobicContact CD1-CD2 3.64Å; I59-M350 HydrophobicContact CB-CE 4.46Å; I59-M350 HydrophobicContact CD1-SD 4.13Å; I59-M350 HydrophobicContact CG2-CE 4.45Å; I59-Y356 HydrophobicContact CD1-CD2 3.96Å; I59-Y356 HydrophobicContact CD1-CG 3.94Å; I59-Y356 HydrophobicContact CG2-CD1 4.33Å; I59-Y356 HydrophobicContact CG2-CD2 3.89Å; I59-Y356 HydrophobicContact CG2-CE1 3.94Å; I59-Y356 HydrophobicContact CG2-CE2 3.51Å; I59-Y356 HydrophobicContact CG2-CG 4.28Å
60F98.6Very high96.8Very high0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-162.3155.6179.456-93.4000111.4P26 I49 M52 H56 V62 T70 L71 L73P26-F60 HydrophobicContact CB-CB 4.45Å; P26-F60 CarbonylContact O-C 3.55Å; P26-F60 WeakPolarHBondContact O-CA 3.4Å; I49-F60 HydrophobicContact CG2-CZ 4.32Å; M52-F60 HydrophobicContact CB-CD1 4.5Å; M52-F60 HydrophobicContact CB-CD2 4.04Å; M52-F60 HydrophobicContact CB-CE1 3.91Å; M52-F60 HydrophobicContact CB-CE2 3.38Å; M52-F60 HydrophobicContact CB-CZ 3.3Å; M52-F60 HydrophobicContact CG-CE2 4.13Å; M52-F60 HydrophobicContact CG-CZ 4.45Å; H56-F60 HydrophobicContact CB-CB 3.61Å; H56-F60 HydrophobicContact CB-CD1 4.07Å; H56-F60 HydrophobicContact CB-CG 4.03Å; F60-V62 HydrophobicContact CD2-CG1 3.78Å; F60-V62 HydrophobicContact CE2-CG1 3.87Å; F60-T70 CarbonylContact O-C 3.55Å; F60-T70 WeakPolarHBondContact O-CA 3.43Å; F60-L71 HydrophobicContact CD2-CB 4.13Å; F60-L71 HydrophobicContact CD2-CG 4.48Å; F60-L71 HydrophobicContact CE1-CB 4.12Å; F60-L71 HydrophobicContact CE2-CB 3.64Å; F60-L71 HydrophobicContact CE2-CD2 3.99Å; F60-L71 HydrophobicContact CE2-CG 3.69Å; F60-L71 HydrophobicContact CZ-CB 3.64Å; F60-L71 HydrophobicContact CZ-CG 3.89Å; F60-L71 PolarHBondContact N-O 3.4Å; F60-L71 VanDerWaalsContact N-O 3.12Å; F60-L71 PolarHBondContact O-N 3.5Å; F60-L73 HydrophobicContact CE1-CD1 3.77Å; F60-L73 HydrophobicContact CZ-CD1 4.2Å
61T98.6Very high96.8Very high2 Ų239.9 Ų39.91%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-109.5128177.3-540000110.4P26 L27 D28 Y68 V69 T70P26-T61 PolarHBondContact O-N 2.97Å; L27-T61 CarbonylContact C-O 3.55Å; L27-T61 WeakPolarHBondContact CA-O 3.33Å; L27-T61 HydrophobicContact CD1-CG2 3.77Å; D28-T61 PolarHBondContact N-O 3.44Å; T61-Y68 HydrophobicContact CG2-CD1 4.32Å; T61-V69 CarbonylContact C-O 3.11Å; T61-V69 WeakPolarHBondContact CA-O 3.14Å; T61-T70 PolarHBondContact OG1-OG1 3.5Å
62V98Very high96.9Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-112.3148.5173.6-60.70000111.7D28 F48 F60 Y68 V69 L71D28-V62 VanDerWaalsContact O-CA 3.24Å; D28-V62 WeakPolarHBondContact O-CA 3.36Å; F48-V62 HydrophobicContact CE1-CG1 4.12Å; F48-V62 HydrophobicContact CE1-CG2 4.35Å; F48-V62 HydrophobicContact CZ-CB 4.41Å; F48-V62 HydrophobicContact CZ-CG1 3.94Å; F60-V62 HydrophobicContact CD2-CG1 3.78Å; F60-V62 HydrophobicContact CE2-CG1 3.87Å; V62-Y68 CarbonylContact O-C 3.57Å; V62-Y68 WeakPolarHBondContact O-CA 3.2Å; V62-V69 HydrophobicContact CG2-CB 4.17Å; V62-V69 PolarHBondContact N-O 3.4Å; V62-V69 PolarHBondContact O-N 2.84Å; V62-L71 HydrophobicContact CG2-CD2 3.85Å
63R96.6Very high96.9Very high17 Ų1734.7 Ų34.76%0.06419%0.188CC..EExtended strand (participates in β ladder)trans-88.4128.5165.6-174.6174.561-178.6-2110.1D28 R29 I32 G36 H37 R67 Y68D28-R63 PolarHBondContact O-N 2.85Å; D28-R63 VanDerWaalsContact O-N 3.13Å; R29-R63 HydrophobicContact CB-CB 4.37Å; R29-R63 PolarHBondContact O-NE 3.41Å; R29-R63 PolarHBondContact O-NH2 2.86Å; R29-R63 VanDerWaalsContact O-NH2 3.16Å; I32-R63 PolarHBondContact O-NH2 2.9Å; G36-R63 CarbonylContact C-O 3.37Å; G36-R63 WeakPolarHBondContact CA-O 3.48Å; H37-R63 PolarHBondContact N-O 3.46Å; R63-R67 CarbonylContact C-O 3.6Å; R63-R67 WeakPolarHBondContact CA-O 3.36Å; R63-Y68 HydrophobicContact CB-CD1 4.25Å; R63-Y68 HydrophobicContact CB-CE1 4.02Å; R63-Y68 HydrophobicContact CG-CE1 4.26Å
64A94.2Very high96.9Very high16 Ų1633.4 Ų33.413%0.13218%0.183CC..EExtended strand (participates in β ladder)trans-142.4116.4173.900000110.5L35 A38 G66 R67L35-A64 WeakPolarHBondContact O-CA 3.29Å; A38-A64 HydrophobicContact CB-CB 4.38Å; A64-G66 PolarHBondContact O-N 2.8Å; A64-R67 PolarHBondContact N-O 3.23Å; A64-R67 PolarHBondContact O-N 3.34Å
65A90.1Very high96.9Very high48 Ų4826.4 Ų26.440%0.39715%0.147SC..THydrogen-bonded Turntrans51.352.1176.800000112.8L35 A38 R67L35-A65 PolarHBondContact O-N 2.91Å; A38-A65 HydrophobicContact CB-CB 3.95Å; A65-R67 PolarHBondContact O-N 3.1Å
66G88.9Confident96.9Very high30 Ų3022.6 Ų22.631%0.30913%0.131SC..THydrogen-bonded Turntrans75.3-5.8-179.800000115.4W34 A64W34-G66 WeakPolarHBondContact O-CA 3.35Å; W34-G66 PolarHBondContact O-N 2.88Å; A64-G66 PolarHBondContact O-N 2.8Å
67R92.8Very high96.9Very high107 Ų10720.6 Ų20.640%0.40412%0.122SC..EExtended strand (participates in β ladder)trans-100.3149176.2-57.3-67.8-83.8-164.4-5110.9R63 A64 A65 V69 E341R63-R67 CarbonylContact C-O 3.6Å; R63-R67 WeakPolarHBondContact CA-O 3.36Å; A64-R67 PolarHBondContact N-O 3.23Å; A64-R67 PolarHBondContact O-N 3.34Å; A65-R67 PolarHBondContact O-N 3.1Å; R67-V69 HydrophobicContact CB-CG2 4.5Å; R67-E341 IonicContact CZ-OE2 2.89Å; R67-E341 IonicContact NH2-OE1 2.56Å; R67-E341 IonicContact NH2-OE2 3.45Å; R67-E341 PolarHBondContact NH2-OE2 3.12Å
68Y96.8Very high96.9Very high30 Ų3019 Ų1912%0.11811%0.105CC..EExtended strand (participates in β ladder)trans-99.1123.6167.1-67.2-83.4000108.4T16 R18 L27 R29 T61 V62 R63 D362 R363T16-Y68 PolarHBondContact O-OH 3.36Å; R18-Y68 HydrophobicContact CB-CE1 3.76Å; R18-Y68 HydrophobicContact CB-CE2 3.82Å; R18-Y68 WeakPolarHBondContact CB-OH 3.12Å; R18-Y68 HydrophobicContact CG-CE1 4.36Å; R18-Y68 HydrophobicContact CG-CE2 4.5Å; R18-Y68 PolarHBondContact N-OH 2.94Å; R18-Y68 VanDerWaalsContact NH1-CB 3.27Å; L27-Y68 HydrophobicContact CD1-CD1 3.78Å; L27-Y68 HydrophobicContact CD1-CE1 3.97Å; R29-Y68 HydrophobicContact CG-CE1 4.49Å; T61-Y68 HydrophobicContact CG2-CD1 4.32Å; V62-Y68 CarbonylContact O-C 3.57Å; V62-Y68 WeakPolarHBondContact O-CA 3.2Å; R63-Y68 HydrophobicContact CB-CD1 4.25Å; R63-Y68 HydrophobicContact CB-CE1 4.02Å; R63-Y68 HydrophobicContact CG-CE1 4.26Å; Y68-D362 WeakPolarHBondContact CB-OD1 3.28Å; Y68-R363 PolarHBondContact O-N 2.86Å
69V97.9Very high96.8Very high13 Ų1318.1 Ų18.18%0.07910%0.101CC..EExtended strand (participates in β ladder)trans-119.3110.5-176.8-1690000108.4T61 V62 R67 L71 R363 C365T61-V69 CarbonylContact C-O 3.11Å; T61-V69 WeakPolarHBondContact CA-O 3.14Å; V62-V69 HydrophobicContact CG2-CB 4.17Å; V62-V69 PolarHBondContact N-O 3.4Å; V62-V69 PolarHBondContact O-N 2.84Å; R67-V69 HydrophobicContact CB-CG2 4.5Å; V69-L71 HydrophobicContact CB-CD2 4.31Å; V69-L71 HydrophobicContact CG1-CD2 3.93Å; V69-L71 WeakPolarHBondContact O-CD2 3.36Å; V69-R363 CarbonylContact C-O 3.54Å; V69-R363 VanDerWaalsContact CA-O 3.23Å; V69-R363 WeakPolarHBondContact CA-O 3.34Å; V69-R363 HydrophobicContact CG1-CB 4.25Å; V69-R363 HydrophobicContact CG1-CG 4.24Å; V69-R363 HydrophobicContact CG2-CB 4.3Å; V69-C365 HydrophobicContact CG1-CB 4Å
70T98.6Very high96.6Very high2 Ų221.5 Ų21.51%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-81.7122170.6-59.40000109.3P25 I59 F60 T61 L358 R363 L364 C365P25-T70 HydrophobicContact CB-CG2 4.43Å; P25-T70 HydrophobicContact CG-CG2 3.93Å; I59-T70 HydrophobicContact CD1-CG2 4.28Å; I59-T70 HydrophobicContact CG1-CG2 4Å; F60-T70 CarbonylContact O-C 3.55Å; F60-T70 WeakPolarHBondContact O-CA 3.43Å; T61-T70 PolarHBondContact OG1-OG1 3.5Å; T70-L358 HydrophobicContact CG2-CD2 3.91Å; T70-R363 PolarHBondContact N-O 2.92Å; T70-L364 HydrophobicContact CG2-CD1 3.73Å; T70-L364 CarbonylContact O-C 3.53Å; T70-L364 WeakPolarHBondContact O-CA 3.19Å; T70-C365 PolarHBondContact O-N 3.4Å
71L98.6Very high96.5Very high0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-96.1130.4174.5-75.9-65.6000108.1I49 I59 F60 V62 V69 C365I49-L71 HydrophobicContact CD1-CD1 3.9Å; I49-L71 HydrophobicContact CG1-CD1 4.27Å; I59-L71 VanDerWaalsContact CA-O 3.28Å; I59-L71 WeakPolarHBondContact CA-O 3.32Å; F60-L71 HydrophobicContact CD2-CB 4.13Å; F60-L71 HydrophobicContact CD2-CG 4.48Å; F60-L71 HydrophobicContact CE1-CB 4.12Å; F60-L71 HydrophobicContact CE2-CB 3.64Å; F60-L71 HydrophobicContact CE2-CD2 3.99Å; F60-L71 HydrophobicContact CE2-CG 3.69Å; F60-L71 HydrophobicContact CZ-CB 3.64Å; F60-L71 HydrophobicContact CZ-CG 3.89Å; F60-L71 PolarHBondContact N-O 3.4Å; F60-L71 VanDerWaalsContact N-O 3.12Å; F60-L71 PolarHBondContact O-N 3.5Å; V62-L71 HydrophobicContact CG2-CD2 3.85Å; V69-L71 HydrophobicContact CB-CD2 4.31Å; V69-L71 HydrophobicContact CG1-CD2 3.93Å; V69-L71 WeakPolarHBondContact O-CD2 3.36Å; L71-C365 WeakPolarHBondContact CA-O 3.25Å; L71-C365 HydrophobicContact CD1-CB 3.95Å
72L98.7Very high96.2Very high0 Ų021.7 Ų21.70%012%0.117CC..EExtended strand (participates in β ladder)trans-118.1123170.3172.666.1000108.6I59 D74 Y78 V81 L348 M350 L364 C365 L366I59-L72 HydrophobicContact CB-CD1 4.31Å; I59-L72 HydrophobicContact CD1-CD1 4.36Å; I59-L72 HydrophobicContact CG1-CD1 4.44Å; L72-D74 HydrophobicContact CD1-CB 4.38Å; L72-Y78 HydrophobicContact CD2-CD1 4.26Å; L72-Y78 HydrophobicContact CG-CD1 4.28Å; L72-Y78 HydrophobicContact CG-CE1 4.26Å; L72-Y78 WeakPolarHBondContact O-CE1 3.38Å; L72-V81 HydrophobicContact CD2-CG2 3.59Å; L72-L348 HydrophobicContact CD2-CD2 4.14Å; L72-M350 HydrophobicContact CD1-CE 3.53Å; L72-M350 HydrophobicContact CD1-SD 3.55Å; L72-M350 VanDerWaalsContact CD1-SD 3.55Å; L72-L364 HydrophobicContact CB-CD1 4.43Å; L72-C365 PolarHBondContact N-O 3.36Å; L72-L366 HydrophobicContact CB-CD2 3.69Å; L72-L366 HydrophobicContact CD2-CD2 3.72Å; L72-L366 HydrophobicContact CG-CD2 3.95Å
73L98.6Very high96Very high0 Ų026.6 Ų26.60%014%0.143CC..  trans-125.53.6-172.1-55.8176.5000113.3I49 K53 N58 F60 P75 F367 V370 S371I49-L73 HydrophobicContact CG2-CD1 3.6Å; I49-L73 HydrophobicContact CG2-CD2 3.84Å; I49-L73 HydrophobicContact CG2-CG 4.33Å; K53-L73 HydrophobicContact CB-CD1 3.7Å; K53-L73 HydrophobicContact CD-CD1 4.06Å; K53-L73 HydrophobicContact CG-CD1 3.92Å; N58-L73 PolarHBondContact O-N 3.22Å; F60-L73 HydrophobicContact CE1-CD1 3.77Å; F60-L73 HydrophobicContact CZ-CD1 4.2Å; L73-P75 VanDerWaalsContact O-CD 3.3Å; L73-P75 WeakPolarHBondContact O-CD 3.48Å; L73-F367 HydrophobicContact CD2-CB 4.16Å; L73-V370 HydrophobicContact CD1-CG1 4.3Å; L73-V370 HydrophobicContact CD2-CB 4.5Å; L73-S371 VanDerWaalsContact O-CB 3.26Å; L73-S371 WeakPolarHBondContact O-CB 3.27Å; L73-S371 PolarHBondContact O-OG 2.92Å
74D98.4Very high95.8Very high13 Ų1326.8 Ų26.87%0.0715%0.146CC..  trans-84.4109.3169.4174.534.4000110N58 L72 H76 S77 Y78 M350N58-D74 HydrophobicContact CB-CB 3.87Å; L72-D74 HydrophobicContact CD1-CB 4.38Å; D74-H76 PolarHBondContact O-N 3.02Å; D74-H76 IonicContact OD1-CD2 3.67Å; D74-H76 PolarHBondContact OD1-N 3.46Å; D74-S77 PolarHBondContact O-N 3.2Å; D74-S77 WeakPolarHBondContact OD2-CB 3.29Å; D74-S77 PolarHBondContact OD2-N 2.92Å; D74-S77 PolarHBondContact OD2-OG 3.47Å; D74-Y78 WeakPolarHBondContact O-CD1 3.28Å; D74-Y78 WeakPolarHBondContact O-CE1 3.44Å; D74-M350 HydrophobicContact CB-CE 3.89Å
75P98.1Very high95.4Very high4 Ų430.1 Ų30.13%0.02617%0.166CC..G310 helixtrans-68.8-20.1-17629.5-36000113.3L73 S77 Y78 S371 P372 K403 L408L73-P75 VanDerWaalsContact O-CD 3.3Å; L73-P75 WeakPolarHBondContact O-CD 3.48Å; P75-S77 PolarHBondContact O-N 2.94Å; P75-Y78 HydrophobicContact CB-CD2 4.16Å; P75-Y78 HydrophobicContact CB-CE2 3.98Å; P75-S371 WeakPolarHBondContact CD-OG 3.28Å; P75-P372 HydrophobicContact CB-CB 4.32Å; P75-P372 HydrophobicContact CG-CB 4.4Å; P75-K403 HydrophobicContact CG-CD 3.97Å; P75-L408 HydrophobicContact CB-CD2 3.95Å; P75-L408 HydrophobicContact CG-CD2 3.57Å
76H98.3Very high95.3Very high52 Ų5233.5 Ų33.524%0.24118%0.178CC..G310 helixtrans-69.8-24.6172.8-69.8-61.7000112.2D74 A351 K403 K406 L408D74-H76 PolarHBondContact O-N 3.02Å; D74-H76 IonicContact OD1-CD2 3.67Å; D74-H76 PolarHBondContact OD1-N 3.46Å; H76-A351 HydrophobicContact CB-CB 3.48Å; H76-A351 VanDerWaalsContact CB-CB 3.48Å; H76-K403 PolarHBondContact NE2-O 3.07Å; H76-K406 PolarHBondContact CE1-O 3.39Å; H76-L408 VanDerWaalsContact CE1-CD2 3.43Å; H76-L408 WeakPolarHBondContact CE1-CD2 3.3Å
77S98.3Very high95.6Very high2 Ų232.3 Ų32.31%0.01416%0.164CC..G310 helixtrans-95.93.1-179.4-58.10000113.7D74 P75 D79 E80 A351D74-S77 PolarHBondContact O-N 3.2Å; D74-S77 WeakPolarHBondContact OD2-CB 3.29Å; D74-S77 PolarHBondContact OD2-N 2.92Å; D74-S77 PolarHBondContact OD2-OG 3.47Å; P75-S77 PolarHBondContact O-N 2.94Å; S77-D79 VanDerWaalsContact C-N 3.33Å; S77-D79 PolarHBondContact O-N 3.14Å; S77-E80 PolarHBondContact O-N 3.36Å; S77-A351 PolarHBondContact OG-N 2.82Å
78Y97.8Very high95.6Very high0 Ų027.2 Ų27.20%015%0.145CC..SBendtrans-67.1-30.5-176.8-74.4-4.8000113.8L72 D74 P75 E80 V81 I82 L366 P368 S371 M413L72-Y78 HydrophobicContact CD2-CD1 4.26Å; L72-Y78 HydrophobicContact CG-CD1 4.28Å; L72-Y78 HydrophobicContact CG-CE1 4.26Å; L72-Y78 WeakPolarHBondContact O-CE1 3.38Å; D74-Y78 WeakPolarHBondContact O-CD1 3.28Å; D74-Y78 WeakPolarHBondContact O-CE1 3.44Å; P75-Y78 HydrophobicContact CB-CD2 4.16Å; P75-Y78 HydrophobicContact CB-CE2 3.98Å; Y78-E80 VanDerWaalsContact C-N 3.28Å; Y78-E80 PolarHBondContact O-N 3.06Å; Y78-V81 PolarHBondContact O-N 3.09Å; Y78-V81 VanDerWaalsContact O-N 3.12Å; Y78-I82 WeakPolarHBondContact O-CD1 3.43Å; Y78-I82 VanDerWaalsContact O-CG1 3.28Å; Y78-I82 WeakPolarHBondContact O-CG1 3.37Å; Y78-I82 PolarHBondContact O-N 2.82Å; Y78-L366 HydrophobicContact CD1-CB 4.43Å; Y78-L366 HydrophobicContact CD1-CD1 3.9Å; Y78-L366 HydrophobicContact CD1-CD2 3.89Å; Y78-L366 HydrophobicContact CD1-CG 4.3Å; Y78-L366 HydrophobicContact CD2-CD1 4.42Å; Y78-L366 HydrophobicContact CE1-CB 4.1Å; Y78-L366 HydrophobicContact CE1-CD1 4.4Å; Y78-L366 HydrophobicContact CE1-CD2 4.03Å; Y78-L366 HydrophobicContact CE1-CG 4.41Å; Y78-L366 HydrophobicContact CG-CD1 3.9Å; Y78-P368 HydrophobicContact CE2-CG 4.34Å; Y78-S371 PolarHBondContact OH-O 3.01Å; Y78-M413 HydrophobicContact CD2-CE 4.24Å; Y78-M413 HydrophobicContact CD2-SD 3.54Å; Y78-M413 VanDerWaalsContact CD2-SD 3.54Å; Y78-M413 HydrophobicContact CE2-SD 3.78Å
79D95.7Very high95.3Very high38 Ų3827.9 Ų27.920%0.20315%0.151CC..Hα-helixtrans-62.1-34.8179.4-90.5-38.5000112.7S77 V81 I82 N83 K409 Y410S77-D79 VanDerWaalsContact C-N 3.33Å; S77-D79 PolarHBondContact O-N 3.14Å; D79-V81 PolarHBondContact O-N 3.36Å; D79-V81 VanDerWaalsContact O-N 3.16Å; D79-I82 PolarHBondContact O-N 2.9Å; D79-N83 WeakPolarHBondContact CB-ND2 3.26Å; D79-N83 VanDerWaalsContact O-CB 3.29Å; D79-N83 WeakPolarHBondContact O-CB 3.2Å; D79-N83 PolarHBondContact O-N 2.91Å; D79-N83 PolarHBondContact O-ND2 3.48Å; D79-N83 VanDerWaalsContact O-ND2 3.09Å; D79-N83 PolarHBondContact OD1-ND2 2.71Å; D79-N83 VanDerWaalsContact OD1-ND2 3.11Å; D79-K409 IonicContact OD1-NZ 2.69Å; D79-K409 PolarHBondContact OD1-NZ 3.47Å; D79-K409 WeakPolarHBondContact OD2-CD 3.37Å; D79-K409 IonicContact OD2-NZ 2.73Å; D79-K409 PolarHBondContact OD2-NZ 3.36Å; D79-Y410 WeakPolarHBondContact OD1-CE2 3.45Å; D79-Y410 PolarHBondContact OD1-OH 2.93Å
80E95.4Very high94.7Very high77 Ų7731.1 Ų31.136%0.3616%0.164SC..Hα-helixtrans-60.9-25.2176.6-70.9-66.8133.200113.1S77 Y78 L348 H349S77-E80 PolarHBondContact O-N 3.36Å; Y78-E80 VanDerWaalsContact C-N 3.28Å; Y78-E80 PolarHBondContact O-N 3.06Å; E80-L348 HydrophobicContact CB-CD1 3.8Å; E80-H349 WeakPolarHBondContact CG-O 3.46Å
81V95.4Very high94.1Very high1 Ų132.2 Ų32.21%0.00618%0.175CC..Hα-helixtrans-93.6-39.2177.8175.90000111.6L72 Y78 D79 L88 R340 L348 L364 L366L72-V81 HydrophobicContact CD2-CG2 3.59Å; Y78-V81 PolarHBondContact O-N 3.09Å; Y78-V81 VanDerWaalsContact O-N 3.12Å; D79-V81 PolarHBondContact O-N 3.36Å; D79-V81 VanDerWaalsContact O-N 3.16Å; V81-L88 HydrophobicContact CB-CD1 4.25Å; V81-L88 HydrophobicContact CG1-CD1 4.1Å; V81-L88 HydrophobicContact CG2-CD1 4.34Å; V81-R340 HydrophobicContact CG1-CG 4.07Å; V81-L348 HydrophobicContact CG2-CD1 3.92Å; V81-L364 HydrophobicContact CB-CD2 4.12Å; V81-L364 HydrophobicContact CG1-CD2 3.61Å; V81-L364 HydrophobicContact CG1-CG 4.42Å; V81-L364 HydrophobicContact CG2-CD2 3.44Å; V81-L364 VanDerWaalsContact CG2-CD2 3.44Å; V81-L364 HydrophobicContact CG2-CG 4.48Å; V81-L366 HydrophobicContact CB-CD1 4.24Å; V81-L366 HydrophobicContact CB-CD2 4.17Å; V81-L366 HydrophobicContact CG1-CD1 4.1Å; V81-L366 HydrophobicContact CG1-CD2 4.04Å; V81-L366 HydrophobicContact CG1-CG 4.17Å; V81-L366 HydrophobicContact CG2-CD2 4.05Å
82I93.6Very high93.6Very high6 Ų638.8 Ų38.83%0.03120%0.2CC..Hα-helixtrans-72.4-33.8-175.5-68.6161.1000111.2Y78 D79 L366 Y410 M413 A417Y78-I82 WeakPolarHBondContact O-CD1 3.43Å; Y78-I82 VanDerWaalsContact O-CG1 3.28Å; Y78-I82 WeakPolarHBondContact O-CG1 3.37Å; Y78-I82 PolarHBondContact O-N 2.82Å; D79-I82 PolarHBondContact O-N 2.9Å; I82-L366 HydrophobicContact CD1-CD1 4.45Å; I82-L366 HydrophobicContact CG1-CD1 4.28Å; I82-Y410 HydrophobicContact CD1-CE2 4.21Å; I82-M413 HydrophobicContact CD1-CE 4.02Å; I82-A417 HydrophobicContact CD1-CB 3.63Å; I82-A417 HydrophobicContact CG1-CB 4.43Å; I82-A417 HydrophobicContact CG2-CB 4.45Å
83N92.9Very high93.1Very high102 Ų10240.8 Ų40.855%0.54521%0.208SC..SBendtrans-99.76.7-170.8-57.1-39.5000114.4D79 P85D79-N83 WeakPolarHBondContact CB-ND2 3.26Å; D79-N83 VanDerWaalsContact O-CB 3.29Å; D79-N83 WeakPolarHBondContact O-CB 3.2Å; D79-N83 PolarHBondContact O-N 2.91Å; D79-N83 PolarHBondContact O-ND2 3.48Å; D79-N83 VanDerWaalsContact O-ND2 3.09Å; D79-N83 PolarHBondContact OD1-ND2 2.71Å; D79-N83 VanDerWaalsContact OD1-ND2 3.11Å; N83-P85 VanDerWaalsContact C-CD 3.43Å; N83-P85 WeakPolarHBondContact O-CD 3.47Å
84D92.3Very high92.6Very high22 Ų2241.9 Ų41.912%0.11822%0.217CC..  trans-115.673.9177.6-176.2-0.8000112.3D86 S87 L88 K346D84-D86 PolarHBondContact O-N 2.91Å; D84-D86 PolarHBondContact OD1-N 3.5Å; D84-S87 WeakPolarHBondContact OD1-CB 3.4Å; D84-S87 PolarHBondContact OD1-N 2.95Å; D84-S87 PolarHBondContact OD1-OG 3.27Å; D84-S87 VanDerWaalsContact OD2-CB 3.24Å; D84-S87 WeakPolarHBondContact OD2-CB 3.44Å; D84-S87 PolarHBondContact OD2-OG 2.75Å; D84-L88 HydrophobicContact CB-CD1 4.37Å; D84-L88 VanDerWaalsContact O-CB 3.29Å; D84-L88 WeakPolarHBondContact O-CB 3.36Å; D84-L88 PolarHBondContact O-N 3.03Å; D84-L88 VanDerWaalsContact O-N 3.1Å; D84-K346 WeakPolarHBondContact OD2-CD 3.29Å; D84-K346 WeakPolarHBondContact OD2-CE 3.5Å; D84-K346 IonicContact OD2-NZ 2.72Å; D84-K346 PolarHBondContact OD2-NZ 2.79Å
85P86.7Confident92.2Very high85 Ų8545.1 Ų45.155%0.55223%0.232SC*.THydrogen-bonded Turntrans-68.7-20.917830.1-35.6000113.2N83N83-P85 VanDerWaalsContact C-CD 3.43Å; N83-P85 WeakPolarHBondContact O-CD 3.47Å
86D88.1Confident91.9Very high120 Ų12047.1 Ų47.164%0.64224%0.244SC*.THydrogen-bonded Turntrans-73.4-36-175.4-65.9-21.3000112.1D84 V343D84-D86 PolarHBondContact O-N 2.91Å; D84-D86 PolarHBondContact OD1-N 3.5Å; D86-V343 WeakPolarHBondContact O-CG2 3.48Å
87S93.7Very high91.7Very high4 Ų446.5 Ų46.53%0.02824%0.243CC..THydrogen-bonded Turntrans-103.1-22.7-178.8-37.70000112.8D84 V343 R344D84-S87 WeakPolarHBondContact OD1-CB 3.4Å; D84-S87 PolarHBondContact OD1-N 2.95Å; D84-S87 PolarHBondContact OD1-OG 3.27Å; D84-S87 VanDerWaalsContact OD2-CB 3.24Å; D84-S87 WeakPolarHBondContact OD2-CB 3.44Å; D84-S87 PolarHBondContact OD2-OG 2.75Å; S87-V343 WeakPolarHBondContact O-CG2 3.49Å; S87-V343 PolarHBondContact O-N 2.85Å; S87-R344 PolarHBondContact OG-NE 2.84Å; S87-R344 PolarHBondContact OG-NH2 2.75Å
88L93.4Very high91.5Very high1 Ų148 Ų481%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-124.897.7-174.2-58173.3000109.6V81 D84 R340 V342 L358 L364V81-L88 HydrophobicContact CB-CD1 4.25Å; V81-L88 HydrophobicContact CG1-CD1 4.1Å; V81-L88 HydrophobicContact CG2-CD1 4.34Å; D84-L88 HydrophobicContact CB-CD1 4.37Å; D84-L88 VanDerWaalsContact O-CB 3.29Å; D84-L88 WeakPolarHBondContact O-CB 3.36Å; D84-L88 PolarHBondContact O-N 3.03Å; D84-L88 VanDerWaalsContact O-N 3.1Å; L88-R340 HydrophobicContact CB-CB 3.78Å; L88-R340 HydrophobicContact CB-CG 3.87Å; L88-R340 HydrophobicContact CD2-CB 4.49Å; L88-R340 WeakPolarHBondContact O-CD 3.25Å; L88-V342 HydrophobicContact CD2-CB 4.48Å; L88-V342 HydrophobicContact CD2-CG2 3.89Å; L88-L358 HydrophobicContact CD2-CD1 4.22Å; L88-L364 HydrophobicContact CD1-CD2 3.9Å; L88-L364 HydrophobicContact CD2-CD2 3.99Å
89D90.5Very high91.3Very high43 Ų4351.7 Ų51.723%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-90.5128.4-173.5174.4-116.3000112.3G91 R92 R340 E341 V343D89-G91 PolarHBondContact OD1-N 2.84Å; D89-G91 PolarHBondContact OD2-N 3.29Å; D89-R92 WeakPolarHBondContact OD1-CB 3.48Å; D89-R92 VanDerWaalsContact OD1-CD 3.27Å; D89-R92 WeakPolarHBondContact OD1-CD 3.27Å; D89-R92 WeakPolarHBondContact OD1-CG 3.1Å; D89-R92 PolarHBondContact OD1-N 3.36Å; D89-R92 IonicContact OD1-NE 2.61Å; D89-R340 CarbonylContact O-C 3.52Å; D89-R340 VanDerWaalsContact O-CA 3.3Å; D89-R340 WeakPolarHBondContact O-CA 3.09Å; D89-E341 PolarHBondContact N-O 2.99Å; D89-E341 PolarHBondContact O-N 2.78Å; D89-V343 HydrophobicContact CB-CG1 3.6Å
90F86.5Confident91.3Very high81 Ų8155.8 Ų55.836%0.35528%0.279SS..SBendtrans-85.5-32.7172.6168.5-103000112.6R92 Y93 A94 N420F90-R92 PolarHBondContact O-N 2.97Å; F90-Y93 PolarHBondContact O-N 3.37Å; F90-A94 HydrophobicContact CE1-CB 4.03Å; F90-A94 HydrophobicContact CZ-CB 4.12Å; F90-A94 PolarHBondContact O-N 3.43Å; F90-N420 VanDerWaalsContact CB-ND2 3.27Å; F90-N420 WeakPolarHBondContact CB-ND2 3.08Å; F90-N420 VanDerWaalsContact CD1-OD1 3.29Å; F90-N420 WeakPolarHBondContact CD1-OD1 3.24Å; F90-N420 WeakPolarHBondContact CD2-ND2 3.1Å; F90-N420 WeakPolarHBondContact CG-ND2 3.31Å
91G84.9Confident91.3Very high25 Ų2552.3 Ų52.326%0.25826%0.263SS..Hα-helixtrans-63.8-40-167.300000113.5D89 Y93 A94 Q95D89-G91 PolarHBondContact OD1-N 2.84Å; D89-G91 PolarHBondContact OD2-N 3.29Å; G91-Y93 PolarHBondContact O-N 2.9Å; G91-A94 PolarHBondContact O-N 3.07Å; G91-Q95 WeakPolarHBondContact O-CG 3.07Å; G91-Q95 PolarHBondContact O-N 3.06Å
92R88Confident91.3Very high138 Ų13852.5 Ų52.552%0.52126%0.264SS..Hα-helixtrans-59.4-44.3-178.9-77.9166-173.9-152.62.5112.7D89 F90 V96 E341D89-R92 WeakPolarHBondContact OD1-CB 3.48Å; D89-R92 VanDerWaalsContact OD1-CD 3.27Å; D89-R92 WeakPolarHBondContact OD1-CD 3.27Å; D89-R92 WeakPolarHBondContact OD1-CG 3.1Å; D89-R92 PolarHBondContact OD1-N 3.36Å; D89-R92 IonicContact OD1-NE 2.61Å; F90-R92 PolarHBondContact O-N 2.97Å; R92-V96 WeakPolarHBondContact O-CG2 3.35Å; R92-V96 PolarHBondContact O-N 2.84Å; R92-E341 HydrophobicContact CB-CB 4.38Å; R92-E341 HydrophobicContact CB-CG 3.88Å
93Y87.6Confident91.4Very high42 Ų4254.9 Ų54.917%0.16528%0.277CS..Hα-helixtrans-75.2-34.8179.3-173-119.4000112.2F90 G91 Q95 V96 L97 T339F90-Y93 PolarHBondContact O-N 3.37Å; G91-Y93 PolarHBondContact O-N 2.9Å; Y93-Q95 VanDerWaalsContact C-N 3.31Å; Y93-Q95 PolarHBondContact O-N 3.28Å; Y93-V96 HydrophobicContact CD2-CB 4.3Å; Y93-V96 PolarHBondContact O-N 2.6Å; Y93-L97 HydrophobicContact CD1-CD1 4.08Å; Y93-L97 HydrophobicContact CD1-CG 4.4Å; Y93-L97 HydrophobicContact CE1-CD1 3.65Å; Y93-L97 HydrophobicContact CE1-CD2 4.39Å; Y93-L97 HydrophobicContact CE1-CG 4.03Å; Y93-L97 HydrophobicContact CE2-CD2 4.32Å; Y93-L97 HydrophobicContact CE2-CG 4.29Å; Y93-L97 PolarHBondContact O-N 2.9Å; Y93-T339 HydrophobicContact CD1-CG2 4.09Å; Y93-T339 WeakPolarHBondContact CD1-OG1 3.46Å; Y93-T339 HydrophobicContact CE1-CG2 3.99Å
94A89.4Confident91.4Very high24 Ų2450.1 Ų50.120%0.19825%0.251CS..Hα-helixtrans-57.7-45.1172.200000111.2F90 G91 V96 L97 M98F90-A94 HydrophobicContact CE1-CB 4.03Å; F90-A94 HydrophobicContact CZ-CB 4.12Å; F90-A94 PolarHBondContact O-N 3.43Å; G91-A94 PolarHBondContact O-N 3.07Å; A94-V96 PolarHBondContact O-N 3.27Å; A94-L97 PolarHBondContact O-N 2.84Å; A94-L97 VanDerWaalsContact O-N 3.14Å; A94-M98 WeakPolarHBondContact O-CG 3.42Å; A94-M98 PolarHBondContact O-N 2.82Å
95Q90.1Very high91.4Very high80 Ų8057.1 Ų57.137%0.37428%0.276SS..Hα-helixtrans-59.6-42.1175.4-73.1174.2-2.600112.7G91 Y93 L97 M98 E99G91-Q95 WeakPolarHBondContact O-CG 3.07Å; G91-Q95 PolarHBondContact O-N 3.06Å; Y93-Q95 VanDerWaalsContact C-N 3.31Å; Y93-Q95 PolarHBondContact O-N 3.28Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 2.88Å; Q95-M98 PolarHBondContact O-N 3.23Å; Q95-E99 WeakPolarHBondContact O-CB 3.48Å; Q95-E99 PolarHBondContact O-N 2.64Å
96V91.7Very high91.4Very high46 Ų4654.2 Ų54.228%0.27926%0.256SS..Hα-helixtrans-59.9-41.6175.4171.60000111.3R92 Y93 A94 R100R92-V96 WeakPolarHBondContact O-CG2 3.35Å; R92-V96 PolarHBondContact O-N 2.84Å; Y93-V96 HydrophobicContact CD2-CB 4.3Å; Y93-V96 PolarHBondContact O-N 2.6Å; A94-V96 PolarHBondContact O-N 3.27Å; V96-R100 WeakPolarHBondContact O-CB 3.4Å; V96-R100 VanDerWaalsContact O-CG 3.24Å; V96-R100 WeakPolarHBondContact O-CG 3.4Å; V96-R100 PolarHBondContact O-N 3.23Å
97L92.9Very high91Very high40 Ų4051.8 Ų51.821%0.20925%0.246CC..Hα-helixtrans-70.3-41.3177.2-68.4-179.5000112.1Y93 A94 Q95 E99 R100 I101 A204Y93-L97 HydrophobicContact CD1-CD1 4.08Å; Y93-L97 HydrophobicContact CD1-CG 4.4Å; Y93-L97 HydrophobicContact CE1-CD1 3.65Å; Y93-L97 HydrophobicContact CE1-CD2 4.39Å; Y93-L97 HydrophobicContact CE1-CG 4.03Å; Y93-L97 HydrophobicContact CE2-CD2 4.32Å; Y93-L97 HydrophobicContact CE2-CG 4.29Å; Y93-L97 PolarHBondContact O-N 2.9Å; A94-L97 PolarHBondContact O-N 2.84Å; A94-L97 VanDerWaalsContact O-N 3.14Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 2.88Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3.25Å; L97-R100 PolarHBondContact O-N 3.33Å; L97-I101 HydrophobicContact CB-CD1 4.23Å; L97-I101 HydrophobicContact CD2-CD1 4.33Å; L97-I101 VanDerWaalsContact O-CB 3.28Å; L97-I101 WeakPolarHBondContact O-CB 3.49Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.07Å; L97-I101 PolarHBondContact O-N 3.34Å; L97-A204 HydrophobicContact CD2-CB 4.15Å
98M94.4Very high89.4Confident33 Ų3359.4 Ų59.416%0.16329%0.286CS..Hα-helixtrans-57.9-45.7175.7-71.2168.965.600111.4A94 Q95 F102 N103 L104 L106 M265A94-M98 WeakPolarHBondContact O-CG 3.42Å; A94-M98 PolarHBondContact O-N 2.82Å; Q95-M98 PolarHBondContact O-N 3.23Å; M98-F102 CarbonylContact O-C 3.58Å; M98-F102 WeakPolarHBondContact O-CA 3.14Å; M98-F102 WeakPolarHBondContact O-CB 3.37Å; M98-F102 PolarHBondContact O-N 2.76Å; M98-N103 PolarHBondContact O-N 3.41Å; M98-L104 CarbonylContact C-O 3.54Å; M98-L104 HydrophobicContact CB-CB 4.23Å; M98-L104 HydrophobicContact CB-CD2 4.44Å; M98-L104 HydrophobicContact CB-CG 4.46Å; M98-L104 HydrophobicContact CE-CD2 3.43Å; M98-L104 VanDerWaalsContact CE-CD2 3.43Å; M98-L104 HydrophobicContact CE-CG 3.72Å; M98-L104 HydrophobicContact CG-CD2 4.5Å; M98-L104 PolarHBondContact O-N 3.38Å; M98-L104 VanDerWaalsContact O-N 3.12Å; M98-L106 HydrophobicContact CE-CB 4.47Å; M98-L106 HydrophobicContact CE-CD1 3.64Å; M98-L106 HydrophobicContact CE-CG 3.88Å; M98-M265 HydrophobicContact CE-CE 4.43Å; M98-M265 HydrophobicContact CE-SD 3.88Å; M98-M265 HydrophobicContact CG-SD 3.62Å; M98-M265 HydrophobicContact SD-SD 4.08Å
99E94.4Very high87.9Confident77 Ų7762.1 Ų62.136%0.3630%0.299SS..Hα-helixtrans-66.2-49.1177.9-176.7172.2-159.400111.4Q95 L97 N103 L104 R105Q95-E99 WeakPolarHBondContact O-CB 3.48Å; Q95-E99 PolarHBondContact O-N 2.64Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3.25Å; E99-N103 WeakPolarHBondContact O-CA 3.47Å; E99-N103 PolarHBondContact O-N 3.48Å; E99-L104 PolarHBondContact N-O 2.81Å; E99-R105 IonicContact OE1-CZ 3.73Å; E99-R105 IonicContact OE1-NE 2.92Å; E99-R105 PolarHBondContact OE1-NE 2.95Å; E99-R105 IonicContact OE1-NH2 3.72Å; E99-R105 PolarHBondContact OE1-NH2 3.12Å
100R94.8Very high87Confident124 Ų12465.8 Ų65.847%0.46831%0.314SS..Hα-helixtrans-68.1-38-176.6-73.2178.8-178.1-168.5-0.8114V96 L97 A204V96-R100 WeakPolarHBondContact O-CB 3.4Å; V96-R100 VanDerWaalsContact O-CG 3.24Å; V96-R100 WeakPolarHBondContact O-CG 3.4Å; V96-R100 PolarHBondContact O-N 3.23Å; L97-R100 PolarHBondContact O-N 3.33Å; R100-A204 WeakPolarHBondContact CD-O 3.5Å; R100-A204 PolarHBondContact NH1-O 2.73Å; R100-A204 VanDerWaalsContact NH1-O 3.14Å
101I95.5Very high86.5Confident4 Ų465.6 Ų65.62%0.02132%0.322CS..Hα-helixtrans-91.7-37.1-173-57.3171.5000111.5L97 L200 L203 A204 Q220 F464L97-I101 HydrophobicContact CB-CD1 4.23Å; L97-I101 HydrophobicContact CD2-CD1 4.33Å; L97-I101 VanDerWaalsContact O-CB 3.28Å; L97-I101 WeakPolarHBondContact O-CB 3.49Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.07Å; L97-I101 PolarHBondContact O-N 3.34Å; I101-L200 HydrophobicContact CD1-CD2 4.34Å; I101-L200 HydrophobicContact CG2-CD1 4.11Å; I101-L200 HydrophobicContact CG2-CG 3.9Å; I101-L203 HydrophobicContact CG1-CB 4.48Å; I101-A204 HydrophobicContact CD1-CB 3.75Å; I101-A204 HydrophobicContact CG1-CB 3.82Å; I101-Q220 PolarHBondContact O-NE2 2.91Å; I101-F464 HydrophobicContact CD1-CE1 4.38Å
102F96Very high86.4Confident5 Ų570 Ų702%0.02234%0.335CS..Hα-helixtrans-121.41.8-170.7-57.6-76000113.6M98 L104 L196 L264 M265 W268M98-F102 CarbonylContact O-C 3.58Å; M98-F102 WeakPolarHBondContact O-CA 3.14Å; M98-F102 WeakPolarHBondContact O-CB 3.37Å; M98-F102 PolarHBondContact O-N 2.76Å; F102-L104 HydrophobicContact CB-CB 3.93Å; F102-L104 PolarHBondContact O-N 3.48Å; F102-L196 HydrophobicContact CE1-CD2 4.3Å; F102-L264 HydrophobicContact CD1-CD2 4.28Å; F102-L264 HydrophobicContact CD1-CG 4.02Å; F102-L264 HydrophobicContact CE1-CG 4.3Å; F102-M265 HydrophobicContact CD1-CB 4.25Å; F102-M265 HydrophobicContact CD2-CB 3.96Å; F102-M265 HydrophobicContact CD2-CG 3.79Å; F102-M265 HydrophobicContact CE1-CB 4.47Å; F102-M265 HydrophobicContact CE2-CB 4.2Å; F102-M265 HydrophobicContact CE2-CG 3.78Å; F102-M265 HydrophobicContact CG-CB 3.99Å; F102-M265 HydrophobicContact CG-CG 4.35Å; F102-M265 HydrophobicContact CZ-CB 4.45Å; F102-M265 HydrophobicContact CZ-CG 4.32Å; F102-W268 HydrophobicContact CE1-CB 4Å; F102-W268 HydrophobicContact CE1-CG 4.5Å; F102-W268 HydrophobicContact CE2-CE3 4.28Å; F102-W268 HydrophobicContact CZ-CB 3.7Å; F102-W268 AromaticContact CZ-CD2 3.97Å; F102-W268 HydrophobicContact CZ-CD2 3.97Å; F102-W268 HydrophobicContact CZ-CE3 4.02Å; F102-W268 AromaticContact CZ-CG 3.83Å; F102-W268 HydrophobicContact CZ-CG 3.83Å
103N95Very high86.3Confident57 Ų5767.2 Ų67.231%0.30533%0.327SS..  trans52.532.1-170.1-59.9-56.9000111.8M98 E99 Q220 R261M98-N103 PolarHBondContact O-N 3.41Å; E99-N103 WeakPolarHBondContact O-CA 3.47Å; E99-N103 PolarHBondContact O-N 3.48Å; N103-Q220 PolarHBondContact ND2-OE1 2.75Å; N103-R261 VanDerWaalsContact O-CD 3.26Å; N103-R261 WeakPolarHBondContact O-CD 3.41Å; N103-R261 PolarHBondContact O-NH1 2.72Å
104L94.3Very high86.3Confident2 Ų265.5 Ų65.51%0.0132%0.321CS..  trans-100.7123.6-170.4176.161.7000110.6M98 E99 F102 L106 M258 R261 A262 M265M98-L104 CarbonylContact C-O 3.54Å; M98-L104 HydrophobicContact CB-CB 4.23Å; M98-L104 HydrophobicContact CB-CD2 4.44Å; M98-L104 HydrophobicContact CB-CG 4.46Å; M98-L104 HydrophobicContact CE-CD2 3.43Å; M98-L104 VanDerWaalsContact CE-CD2 3.43Å; M98-L104 HydrophobicContact CE-CG 3.72Å; M98-L104 HydrophobicContact CG-CD2 4.5Å; M98-L104 PolarHBondContact O-N 3.38Å; M98-L104 VanDerWaalsContact O-N 3.12Å; E99-L104 PolarHBondContact N-O 2.81Å; F102-L104 HydrophobicContact CB-CB 3.93Å; F102-L104 PolarHBondContact O-N 3.48Å; L104-L106 HydrophobicContact CD1-CD2 3.7Å; L104-L106 HydrophobicContact CD1-CG 3.93Å; L104-L106 HydrophobicContact CG-CD2 4.48Å; L104-L106 HydrophobicContact CG-CG 4.17Å; L104-M258 HydrophobicContact CD1-CG 3.81Å; L104-M258 WeakPolarHBondContact CD1-O 3.37Å; L104-M258 HydrophobicContact CD1-SD 3.63Å; L104-R261 HydrophobicContact CB-CB 4.36Å; L104-R261 HydrophobicContact CD1-CB 3.98Å; L104-A262 HydrophobicContact CD1-CB 3.95Å; L104-A262 HydrophobicContact CD2-CB 4.23Å; L104-M265 HydrophobicContact CD2-CB 3.91Å; L104-M265 HydrophobicContact CD2-CE 4.22Å; L104-M265 HydrophobicContact CD2-CG 4.3Å; L104-M265 HydrophobicContact CD2-SD 3.58Å; L104-M265 VanDerWaalsContact CD2-SD 3.58Å
105R92.2Very high86.2Confident169 Ų16965.5 Ų65.564%0.63832%0.317SS*.  trans-124.4109.4173-65.2-179.2-178.5167-0.9108.5E99 M258E99-R105 IonicContact OE1-CZ 3.73Å; E99-R105 IonicContact OE1-NE 2.92Å; E99-R105 PolarHBondContact OE1-NE 2.95Å; E99-R105 IonicContact OE1-NH2 3.72Å; E99-R105 PolarHBondContact OE1-NH2 3.12Å; R105-M258 HydrophobicContact CB-CE 4.39Å; R105-M258 HydrophobicContact CB-SD 4.45Å; R105-M258 PolarHBondContact N-SD 3.41Å; R105-M258 WeakPolarHBondContact O-CG 3.32Å
106L86.9Confident86.2Confident23 Ų2364.5 Ų64.512%0.1232%0.323CS..  trans-99.1145.4173.1-61.9-178.3000109M98 L104 L249 V254 M258M98-L106 HydrophobicContact CE-CB 4.47Å; M98-L106 HydrophobicContact CE-CD1 3.64Å; M98-L106 HydrophobicContact CE-CG 3.88Å; L104-L106 HydrophobicContact CD1-CD2 3.7Å; L104-L106 HydrophobicContact CD1-CG 3.93Å; L104-L106 HydrophobicContact CG-CD2 4.48Å; L104-L106 HydrophobicContact CG-CG 4.17Å; L106-L249 HydrophobicContact CD1-CD2 4.2Å; L106-L249 HydrophobicContact CD2-CD2 3.94Å; L106-V254 HydrophobicContact CD2-CG1 3.93Å; L106-V254 HydrophobicContact CD2-CG2 4.15Å; L106-M258 HydrophobicContact CD2-CG 4.13Å
107P79Confident86.3Confident69 Ų6963.6 Ų63.645%0.44832%0.316SS..SBendtrans-49.5152.6167.4-22.732.5000110H109 V254P107-H109 VanDerWaalsContact C-N 3.27Å; P107-H109 WeakPolarHBondContact O-CA 3.49Å; P107-H109 PolarHBondContact O-N 3.45Å; P107-V254 HydrophobicContact CG-CG2 4.21Å
108L58.8Low86.3Confident165 Ų16564 Ų6486%0.86432%0.317SS*.SBendtrans-43.595.6179.3-88.4156.7000109.5
109H61.9Low86.2Confident58 Ų5867.2 Ų67.227%0.26933%0.33SS..  trans-67.8149.4-160.9-161.948.4000107.3P107 P111 A114P107-H109 VanDerWaalsContact C-N 3.27Å; P107-H109 WeakPolarHBondContact O-CA 3.49Å; P107-H109 PolarHBondContact O-N 3.45Å; H109-P111 WeakPolarHBondContact O-CD 3.48Å; H109-A114 VanDerWaalsContact NE2-CB 3.25Å; H109-A114 WeakPolarHBondContact NE2-CB 3.4Å
110Q72.1Confident86.2Confident119 Ų11972.9 Ų72.956%0.55635%0.348SS*.  trans-87.582.6162.2-65.9-179.313.100106.8E112 K113 A114Q110-E112 PolarHBondContact O-N 2.83Å; Q110-E112 VanDerWaalsContact O-N 3.1Å; Q110-K113 HydrophobicContact CB-CB 3.79Å; Q110-K113 PolarHBondContact O-N 3.41Å; Q110-A114 PolarHBondContact O-N 3.46Å; Q110-A114 VanDerWaalsContact O-N 3.12Å
111P76.4Confident86.2Confident78 Ų7868.4 Ų68.451%0.50633%0.332SS..Hα-helixtrans-57.5-31.5-173.725.8-37.4000111.6H109 K115H109-P111 WeakPolarHBondContact O-CD 3.48Å; P111-K115 WeakPolarHBondContact O-CB 3.38Å; P111-K115 PolarHBondContact O-N 2.9Å
112E81.9Confident86.1Confident116 Ų11668.8 Ų68.854%0.54233%0.334SS..Hα-helixtrans-66.2-42.6175.8-62.7-53.1136.300112.6Q110 K115 A116Q110-E112 PolarHBondContact O-N 2.83Å; Q110-E112 VanDerWaalsContact O-N 3.1Å; E112-K115 PolarHBondContact O-N 2.93Å; E112-A116 VanDerWaalsContact O-CB 3.28Å; E112-A116 WeakPolarHBondContact O-CB 3.38Å; E112-A116 PolarHBondContact O-N 2.82Å
113K87.1Confident85.9Confident80 Ų8073.7 Ų73.735%0.34836%0.358SS..Hα-helixtrans-62.5-47.2175.9-173.3-178.3175.1-160.40110.3Q110 K115 A116 M117 L248 E251Q110-K113 HydrophobicContact CB-CB 3.79Å; Q110-K113 PolarHBondContact O-N 3.41Å; K113-K115 PolarHBondContact O-N 3.49Å; K113-A116 PolarHBondContact O-N 3.23Å; K113-M117 WeakPolarHBondContact O-CB 3.38Å; K113-M117 PolarHBondContact O-N 2.94Å; K113-L248 HydrophobicContact CD-CD1 3.64Å; K113-L248 HydrophobicContact CG-CD1 4.04Å; K113-E251 IonicContact NZ-OE2 3.02Å; K113-E251 PolarHBondContact NZ-OE2 3.38Å
114A86.6Confident85.8Confident6 Ų673.3 Ų73.35%0.0537%0.368CS..Hα-helixtrans-61.9-42.7176.400000112H109 Q110 M117 M118 L248H109-A114 VanDerWaalsContact NE2-CB 3.25Å; H109-A114 WeakPolarHBondContact NE2-CB 3.4Å; Q110-A114 PolarHBondContact O-N 3.46Å; Q110-A114 VanDerWaalsContact O-N 3.12Å; A114-M117 PolarHBondContact O-N 3.44Å; A114-M118 WeakPolarHBondContact O-CG 3.32Å; A114-M118 PolarHBondContact O-N 3.42Å; A114-L248 HydrophobicContact CB-CD2 3.9Å
115K87.2Confident85.5Confident25 Ų2576.9 Ų76.911%0.10940%0.398CS..Hα-helixtrans-68.2-40179.2-165.7171.5-169176.20112.6P111 E112 K113 M117 M118 K119 T419 G421 V423P111-K115 WeakPolarHBondContact O-CB 3.38Å; P111-K115 PolarHBondContact O-N 2.9Å; E112-K115 PolarHBondContact O-N 2.93Å; K113-K115 PolarHBondContact O-N 3.49Å; K115-M117 VanDerWaalsContact C-N 3.35Å; K115-M118 HydrophobicContact CB-CE 4.31Å; K115-M118 HydrophobicContact CG-CE 4.42Å; K115-M118 PolarHBondContact O-N 2.8Å; K115-K119 WeakPolarHBondContact O-CG 3.32Å; K115-K119 PolarHBondContact O-N 3.49Å; K115-T419 WeakPolarHBondContact CD-O 3.29Å; K115-T419 WeakPolarHBondContact CE-O 2.98Å; K115-T419 PolarHBondContact NZ-O 3.36Å; K115-G421 PolarHBondContact NZ-O 3.11Å; K115-G421 VanDerWaalsContact NZ-O 3.1Å; K115-V423 HydrophobicContact CD-CG2 4.4Å; K115-V423 VanDerWaalsContact CE-CG2 3.44Å; K115-V423 HydrophobicContact CG-CG2 3.96Å
116A90.8Very high85.6Confident59 Ų5971 Ų7149%0.48838%0.382SS..Hα-helixtrans-61.6-44.1174.400000111.3E112 K113 K119 R120E112-A116 VanDerWaalsContact O-CB 3.28Å; E112-A116 WeakPolarHBondContact O-CB 3.38Å; E112-A116 PolarHBondContact O-N 2.82Å; K113-A116 PolarHBondContact O-N 3.23Å; A116-K119 PolarHBondContact O-N 2.97Å; A116-R120 PolarHBondContact O-N 2.99Å; A116-R120 VanDerWaalsContact O-N 3.08Å
117M93.6Very high85.8Confident27 Ų2770.9 Ų70.913%0.13338%0.382CS..Hα-helixtrans-57.9-50173.3179.4-78.5-68.700111K113 A114 K115 K119 R120 H121 A244 Y245 L248K113-M117 WeakPolarHBondContact O-CB 3.38Å; K113-M117 PolarHBondContact O-N 2.94Å; A114-M117 PolarHBondContact O-N 3.44Å; K115-M117 VanDerWaalsContact C-N 3.35Å; M117-K119 PolarHBondContact O-N 3.25Å; M117-R120 WeakPolarHBondContact O-CB 3.39Å; M117-R120 PolarHBondContact O-N 2.58Å; M117-H121 PolarHBondContact O-CD2 3.28Å; M117-H121 VanDerWaalsContact O-CD2 3.28Å; M117-H121 PolarHBondContact O-N 3.16Å; M117-A244 HydrophobicContact CG-CB 3.97Å; M117-A244 HydrophobicContact SD-CB 3.86Å; M117-Y245 HydrophobicContact CE-CD2 3.87Å; M117-Y245 HydrophobicContact CE-CG 4.39Å; M117-L248 HydrophobicContact CE-CD2 4.32Å
118M92.4Very high86.4Confident48 Ų4869.1 Ų69.124%0.23637%0.371CS..Hα-helixtrans-58.5-45.3177.6-70.2-172.8-71.900112.2A114 K115 R120 H121 F122 V423A114-M118 WeakPolarHBondContact O-CG 3.32Å; A114-M118 PolarHBondContact O-N 3.42Å; K115-M118 HydrophobicContact CB-CE 4.31Å; K115-M118 HydrophobicContact CG-CE 4.42Å; K115-M118 PolarHBondContact O-N 2.8Å; M118-R120 VanDerWaalsContact C-N 3.29Å; M118-R120 PolarHBondContact O-N 3.27Å; M118-H121 PolarHBondContact O-N 2.86Å; M118-H121 VanDerWaalsContact O-N 3.12Å; M118-F122 WeakPolarHBondContact O-CD2 3.36Å; M118-F122 PolarHBondContact O-N 3.11Å; M118-V423 HydrophobicContact CB-CB 4.41Å; M118-V423 HydrophobicContact CB-CG1 3.87Å; M118-V423 HydrophobicContact CB-CG2 4.46Å
119K92.9Very high87.9Confident100 Ų10065.6 Ų65.644%0.43536%0.357SS..Hα-helixtrans-58.2-40.9178.6-77178.9179.41780111.9K115 A116 M117 H121 F122 M123 V423K115-K119 WeakPolarHBondContact O-CG 3.32Å; K115-K119 PolarHBondContact O-N 3.49Å; A116-K119 PolarHBondContact O-N 2.97Å; M117-K119 PolarHBondContact O-N 3.25Å; K119-H121 PolarHBondContact O-N 2.92Å; K119-F122 PolarHBondContact O-N 3.2Å; K119-M123 HydrophobicContact CB-SD 4.01Å; K119-M123 HydrophobicContact CG-SD 4.08Å; K119-M123 VanDerWaalsContact O-CB 3.25Å; K119-M123 WeakPolarHBondContact O-CB 3.17Å; K119-M123 VanDerWaalsContact O-CG 3.28Å; K119-M123 WeakPolarHBondContact O-CG 3.47Å; K119-M123 PolarHBondContact O-N 3.09Å; K119-V423 HydrophobicContact CB-CG1 4.47Å; K119-V423 HydrophobicContact CG-CG1 3.95Å; K119-V423 HydrophobicContact CG-CG2 4.48Å
120R94.6Very high89.4Confident197 Ų19763.5 Ų63.574%0.74335%0.347SS*.Hα-helixtrans-57.3-37.8178-175.3178.5179.1171.1-0112.2A116 M117 M118 S126A116-R120 PolarHBondContact O-N 2.99Å; A116-R120 VanDerWaalsContact O-N 3.08Å; M117-R120 WeakPolarHBondContact O-CB 3.39Å; M117-R120 PolarHBondContact O-N 2.58Å; M118-R120 VanDerWaalsContact C-N 3.29Å; M118-R120 PolarHBondContact O-N 3.27Å; R120-S126 PolarHBondContact O-OG 2.72Å
121H94.8Very high90.4Very high30 Ų3059.4 Ų59.414%0.13933%0.329CS..Hα-helixtrans-91.9-22.4-175.9-68.2-78.5000114.8M117 M118 K119 S126 L130 W241 A244M117-H121 PolarHBondContact O-CD2 3.28Å; M117-H121 VanDerWaalsContact O-CD2 3.28Å; M117-H121 PolarHBondContact O-N 3.16Å; M118-H121 PolarHBondContact O-N 2.86Å; M118-H121 VanDerWaalsContact O-N 3.12Å; K119-H121 PolarHBondContact O-N 2.92Å; H121-S126 WeakPolarHBondContact O-CB 3.27Å; H121-L130 VanDerWaalsContact O-CD1 3.24Å; H121-L130 WeakPolarHBondContact O-CD1 3.36Å; H121-W241 HydrophobicContact CB-CB 3.69Å; H121-W241 HydrophobicContact CB-CG 4.32Å; H121-A244 WeakPolarHBondContact NE2-CB 3.28Å
122F94.6Very high91.1Very high12 Ų1259.5 Ų59.55%0.05333%0.332CS..Hα-helixtrans-103.79.5-179.4-76.4-82.4000114.2M118 K119 L130 L174 W241 V423 F427M118-F122 WeakPolarHBondContact O-CD2 3.36Å; M118-F122 PolarHBondContact O-N 3.11Å; K119-F122 PolarHBondContact O-N 3.2Å; F122-L130 HydrophobicContact CD1-CD1 3.82Å; F122-L130 HydrophobicContact CE1-CD1 3.93Å; F122-L130 HydrophobicContact CG-CD1 4.39Å; F122-L174 HydrophobicContact CE1-CD2 4.29Å; F122-L174 HydrophobicContact CZ-CD1 4.36Å; F122-L174 HydrophobicContact CZ-CD2 4.1Å; F122-W241 HydrophobicContact CE2-CB 4.4Å; F122-W241 AromaticContact CE2-CD1 3.64Å; F122-W241 AromaticContact CE2-CD2 3.8Å; F122-W241 HydrophobicContact CE2-CD2 3.8Å; F122-W241 AromaticContact CE2-CE2 3.8Å; F122-W241 AromaticContact CE2-CG 3.67Å; F122-W241 HydrophobicContact CE2-CG 3.67Å; F122-W241 HydrophobicContact CE2-CZ2 4.48Å; F122-W241 AromaticContact CE2-NE1 3.71Å; F122-W241 HydrophobicContact CZ-CD2 4.12Å; F122-W241 HydrophobicContact CZ-CE3 4.45Å; F122-W241 HydrophobicContact CZ-CG 4.3Å; F122-V423 HydrophobicContact CB-CG1 4.1Å; F122-F427 HydrophobicContact CD1-CB 4.09Å; F122-F427 HydrophobicContact CD1-CD1 4.3Å; F122-F427 HydrophobicContact CD1-CG 4.3Å; F122-F427 AromaticContact CE1-CD1 3.94Å; F122-F427 HydrophobicContact CE1-CD1 3.94Å; F122-F427 HydrophobicContact CE1-CG 4.36Å
123M91.7Very high91.6Very high107 Ų10755.8 Ų55.853%0.52732%0.317SS..SBendtrans-129.8170.7178.8-57.9-17771.200111.4K119 A125 S126 L127K119-M123 HydrophobicContact CB-SD 4.01Å; K119-M123 HydrophobicContact CG-SD 4.08Å; K119-M123 VanDerWaalsContact O-CB 3.25Å; K119-M123 WeakPolarHBondContact O-CB 3.17Å; K119-M123 VanDerWaalsContact O-CG 3.28Å; K119-M123 WeakPolarHBondContact O-CG 3.47Å; K119-M123 PolarHBondContact O-N 3.09Å; M123-A125 PolarHBondContact O-N 3.47Å; M123-S126 PolarHBondContact O-N 3.33Å; M123-L127 PolarHBondContact O-N 2.71Å; M123-L127 VanDerWaalsContact O-N 3.16Å
124G91.1Very high91.9Very high50 Ų5052.2 Ų52.252%0.51530%0.302SS..Hα-helixtrans58.9-133.3172.300000114.3S128G124-S128 PolarHBondContact O-N 3.26Å; G124-S128 PolarHBondContact O-OG 2.89Å; G124-S128 VanDerWaalsContact O-OG 3.14Å
125A90Very high92.2Very high77 Ų7753.4 Ų53.464%0.63631%0.309SS*.Hα-helixtrans-66.2-41.1179.300000112.1M123 L127 S128 T129M123-A125 PolarHBondContact O-N 3.47Å; A125-L127 VanDerWaalsContact C-N 3.31Å; A125-L127 PolarHBondContact O-N 3.18Å; A125-S128 WeakPolarHBondContact O-CA 3.46Å; A125-S128 VanDerWaalsContact O-CB 3.3Å; A125-S128 WeakPolarHBondContact O-CB 3.44Å; A125-S128 PolarHBondContact O-N 3.25Å; A125-T129 PolarHBondContact O-N 2.75Å; A125-T129 VanDerWaalsContact O-N 3.09Å; A125-T129 PolarHBondContact O-OG1 2.6Å
126S92.6Very high92.4Very high45 Ų4557.6 Ų57.632%0.31533%0.325SS..Hα-helixtrans-61.3-38.2179.6-58.60000112.7R120 H121 M123 S128 T129 L130R120-S126 PolarHBondContact O-OG 2.72Å; H121-S126 WeakPolarHBondContact O-CB 3.27Å; M123-S126 PolarHBondContact O-N 3.33Å; S126-S128 VanDerWaalsContact C-N 3.27Å; S126-S128 PolarHBondContact O-N 2.92Å; S126-T129 PolarHBondContact O-N 2.63Å; S126-L130 WeakPolarHBondContact O-CG 3.45Å; S126-L130 PolarHBondContact O-N 3.44Å
127L92Very high92.5Very high21 Ų2155.4 Ų55.411%0.1131%0.305CS..Hα-helixtrans-59.1-38.8171.1175.960.4000112.4M123 A125 L130 N131 Q426 F427M123-L127 PolarHBondContact O-N 2.71Å; M123-L127 VanDerWaalsContact O-N 3.16Å; A125-L127 VanDerWaalsContact C-N 3.31Å; A125-L127 PolarHBondContact O-N 3.18Å; L127-L130 PolarHBondContact O-N 3.1Å; L127-N131 WeakPolarHBondContact O-CB 3.22Å; L127-N131 PolarHBondContact O-N 2.94Å; L127-N131 PolarHBondContact O-ND2 3Å; L127-Q426 HydrophobicContact CD1-CB 4.49Å; L127-Q426 HydrophobicContact CD2-CB 3.64Å; L127-F427 HydrophobicContact CD1-CB 3.64Å; L127-F427 HydrophobicContact CD1-CD2 4.18Å; L127-F427 HydrophobicContact CD1-CG 4.38Å
128S90.6Very high92.4Very high32 Ų3254.2 Ų54.222%0.22430%0.299CS..Hα-helixtrans-67.2-43.8-178.7-48.10000110.1G124 A125 S126 N131 S132 K315G124-S128 PolarHBondContact O-N 3.26Å; G124-S128 PolarHBondContact O-OG 2.89Å; G124-S128 VanDerWaalsContact O-OG 3.14Å; A125-S128 WeakPolarHBondContact O-CA 3.46Å; A125-S128 VanDerWaalsContact O-CB 3.3Å; A125-S128 WeakPolarHBondContact O-CB 3.44Å; A125-S128 PolarHBondContact O-N 3.25Å; S126-S128 VanDerWaalsContact C-N 3.27Å; S126-S128 PolarHBondContact O-N 2.92Å; S128-N131 PolarHBondContact O-N 3.26Å; S128-S132 PolarHBondContact O-N 3.35Å; S128-S132 PolarHBondContact O-OG 3.21Å; S128-K315 WeakPolarHBondContact OG-CE 3.04Å; S128-K315 PolarHBondContact OG-NZ 3.43Å
129T91.8Very high92.3Very high91 Ų9155.1 Ų55.156%0.55830%0.302SS*.Hα-helixtrans-60.1-46.7172.8-52.50000111.9A125 S126 N131 S132 T133A125-T129 PolarHBondContact O-N 2.75Å; A125-T129 VanDerWaalsContact O-N 3.09Å; A125-T129 PolarHBondContact O-OG1 2.6Å; S126-T129 PolarHBondContact O-N 2.63Å; T129-N131 PolarHBondContact O-N 2.78Å; T129-S132 PolarHBondContact O-N 3.34Å; T129-T133 PolarHBondContact O-N 3.28Å; T129-T133 PolarHBondContact O-OG1 2.88Å
130L92.6Very high92.2Very high14 Ų1454 Ų547%0.07330%0.304CS..Hα-helixtrans-59.5-44.8177.4-76.2175.2000112H121 F122 S126 L127 S132 T133 M134 T173 L174 F427H121-L130 VanDerWaalsContact O-CD1 3.24Å; H121-L130 WeakPolarHBondContact O-CD1 3.36Å; F122-L130 HydrophobicContact CD1-CD1 3.82Å; F122-L130 HydrophobicContact CE1-CD1 3.93Å; F122-L130 HydrophobicContact CG-CD1 4.39Å; S126-L130 WeakPolarHBondContact O-CG 3.45Å; S126-L130 PolarHBondContact O-N 3.44Å; L127-L130 PolarHBondContact O-N 3.1Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3Å; L130-T133 PolarHBondContact O-N 2.99Å; L130-M134 VanDerWaalsContact O-CB 3.3Å; L130-M134 WeakPolarHBondContact O-CB 3.15Å; L130-M134 PolarHBondContact O-N 3.47Å; L130-T173 HydrophobicContact CD2-CG2 4.09Å; L130-L174 HydrophobicContact CD2-CD2 3.88Å; L130-F427 HydrophobicContact CB-CD2 3.94Å; L130-F427 HydrophobicContact CB-CE2 3.78Å
131N92.8Very high92Very high32 Ų3245.3 Ų45.317%0.17127%0.273CS..Hα-helixtrans-59.8-42.8176.6-74-21.7000111.9L127 S128 T129 M134 S135 F427 N430L127-N131 WeakPolarHBondContact O-CB 3.22Å; L127-N131 PolarHBondContact O-N 2.94Å; L127-N131 PolarHBondContact O-ND2 3Å; S128-N131 PolarHBondContact O-N 3.26Å; T129-N131 PolarHBondContact O-N 2.78Å; N131-M134 PolarHBondContact O-N 3.12Å; N131-S135 WeakPolarHBondContact O-CB 3Å; N131-S135 PolarHBondContact O-N 3.44Å; N131-S135 PolarHBondContact O-OG 2.85Å; N131-F427 WeakPolarHBondContact OD1-CD2 3.34Å; N131-N430 PolarHBondContact ND2-ND2 3.36Å; N131-N430 WeakPolarHBondContact OD1-CB 3.43Å; N131-N430 PolarHBondContact OD1-ND2 3.1Å
132S91.1Very high91.6Very high80 Ų8044 Ų4456%0.55927%0.266SS*.Hα-helixtrans-64.6-46.3178-62.10000111.5S128 T129 L130 M134 S135 R136S128-S132 PolarHBondContact O-N 3.35Å; S128-S132 PolarHBondContact O-OG 3.21Å; T129-S132 PolarHBondContact O-N 3.34Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3Å; S132-M134 PolarHBondContact O-N 3.48Å; S132-S135 PolarHBondContact O-N 3.47Å; S132-R136 PolarHBondContact O-N 3.46Å
133T92.8Very high91.1Very high39 Ų3949.3 Ų49.324%0.23929%0.289CS..Hα-helixtrans-61.7-44.4176.2-58.80000111.5T129 L130 R136 N137 T173T129-T133 PolarHBondContact O-N 3.28Å; T129-T133 PolarHBondContact O-OG1 2.88Å; L130-T133 PolarHBondContact O-N 2.99Å; T133-R136 PolarHBondContact O-N 2.98Å; T133-N137 WeakPolarHBondContact O-CB 3.42Å; T133-N137 VanDerWaalsContact O-CG 3.32Å; T133-N137 PolarHBondContact O-N 2.94Å; T133-T173 HydrophobicContact CG2-CG2 4.05Å
134M94.3Very high90.8Very high5 Ų549 Ų493%0.02529%0.294CS..Hα-helixtrans-60.6-45.3176.3-176.456.818000112.1L130 N131 S132 R136 N137 L138 L166 A169 T173 F427 T431L130-M134 VanDerWaalsContact O-CB 3.3Å; L130-M134 WeakPolarHBondContact O-CB 3.15Å; L130-M134 PolarHBondContact O-N 3.47Å; N131-M134 PolarHBondContact O-N 3.12Å; S132-M134 PolarHBondContact O-N 3.48Å; M134-R136 PolarHBondContact O-N 3.31Å; M134-N137 PolarHBondContact O-N 3.42Å; M134-L138 WeakPolarHBondContact O-CB 3.32Å; M134-L138 PolarHBondContact O-N 2.97Å; M134-L166 HydrophobicContact CE-CD2 4.07Å; M134-A169 HydrophobicContact CE-CB 3.42Å; M134-A169 VanDerWaalsContact CE-CB 3.42Å; M134-A169 VanDerWaalsContact SD-C 3.52Å; M134-A169 HydrophobicContact SD-CB 3.71Å; M134-T173 VanDerWaalsContact CA-OG1 3.27Å; M134-T173 WeakPolarHBondContact CA-OG1 3.44Å; M134-T173 HydrophobicContact CB-CG2 4.19Å; M134-F427 HydrophobicContact CB-CE2 3.85Å; M134-F427 HydrophobicContact CB-CZ 3.97Å; M134-F427 HydrophobicContact CG-CE2 4.27Å; M134-F427 HydrophobicContact CG-CZ 4.11Å; M134-T431 HydrophobicContact CE-CG2 3.36Å; M134-T431 HydrophobicContact CG-CG2 4.22Å
135S91.8Very high90.3Very high30 Ų3048.9 Ų48.921%0.2128%0.28CS..Hα-helixtrans-59.7-46.4178.7-62.80000111.5N131 S132 L138 E139N131-S135 WeakPolarHBondContact O-CB 3Å; N131-S135 PolarHBondContact O-N 3.44Å; N131-S135 PolarHBondContact O-OG 2.85Å; S132-S135 PolarHBondContact O-N 3.47Å; S135-L138 PolarHBondContact O-N 3.46Å; S135-E139 WeakPolarHBondContact O-CB 3.34Å; S135-E139 WeakPolarHBondContact O-CG 3.3Å; S135-E139 PolarHBondContact O-N 2.8Å
136R91.5Very high89.7Confident114 Ų11445.4 Ų45.443%0.4325%0.251SS..Hα-helixtrans-63.4-48177.8-179175.556.9156.84.4112S132 T133 M134 L138 E139 T140 E178S132-R136 PolarHBondContact O-N 3.46Å; T133-R136 PolarHBondContact O-N 2.98Å; M134-R136 PolarHBondContact O-N 3.31Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 3.16Å; R136-E139 PolarHBondContact O-N 3.43Å; R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 2.97Å; R136-T140 PolarHBondContact O-OG1 2.88Å; R136-T140 VanDerWaalsContact O-OG1 3.07Å; R136-E178 IonicContact CZ-OE1 2.78Å; R136-E178 IonicContact NH1-OE1 3.66Å; R136-E178 PolarHBondContact NH1-OE1 2.68Å; R136-E178 IonicContact NH2-OE1 3.65Å; R136-E178 PolarHBondContact NH2-OE1 2.89Å
137N93.1Very high88.8Confident13 Ų1345.5 Ų45.57%0.0725%0.25CS..Hα-helixtrans-60.4-42.3178.6-72.6-13.4000111.5T133 M134 T140 L141 A169 L172 T173T133-N137 WeakPolarHBondContact O-CB 3.42Å; T133-N137 VanDerWaalsContact O-CG 3.32Å; T133-N137 PolarHBondContact O-N 2.94Å; M134-N137 PolarHBondContact O-N 3.42Å; N137-T140 PolarHBondContact O-N 3.1Å; N137-L141 WeakPolarHBondContact O-CB 3.06Å; N137-L141 WeakPolarHBondContact O-CG 3.38Å; N137-L141 PolarHBondContact O-N 2.88Å; N137-A169 HydrophobicContact CB-CB 4.43Å; N137-L172 HydrophobicContact CB-CB 4.38Å; N137-L172 WeakPolarHBondContact ND2-CB 3.32Å; N137-T173 PolarHBondContact ND2-N 2.9Å; N137-T173 PolarHBondContact ND2-OG1 3Å
138L92.3Very high87.6Confident1 Ų149 Ų491%0.00527%0.269CS..Hα-helixtrans-65.4-45.4178.8-174.762.9000112.2M134 S135 R136 L141 L142 A169 K434 F435M134-L138 WeakPolarHBondContact O-CB 3.32Å; M134-L138 PolarHBondContact O-N 2.97Å; S135-L138 PolarHBondContact O-N 3.46Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 3.16Å; L138-L141 PolarHBondContact O-N 3.14Å; L138-L142 HydrophobicContact CD1-CD1 4.35Å; L138-L142 HydrophobicContact CG-CD1 4.01Å; L138-L142 WeakPolarHBondContact O-CB 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 3.24Å; L138-A169 HydrophobicContact CB-CB 4.12Å; L138-A169 HydrophobicContact CD1-CB 3.99Å; L138-K434 HydrophobicContact CD2-CG 4.23Å; L138-F435 HydrophobicContact CD1-CD2 3.93Å; L138-F435 HydrophobicContact CD2-CB 3.83Å; L138-F435 HydrophobicContact CD2-CD2 4.15Å; L138-F435 HydrophobicContact CG-CD2 4.49Å
139E89.8Confident86.4Confident67 Ų6754.9 Ų54.931%0.31330%0.297SS..Hα-helixtrans-63.5-40.5176.8-75.3176.1-164.700112.1S135 R136 K143 K434S135-E139 WeakPolarHBondContact O-CB 3.34Å; S135-E139 WeakPolarHBondContact O-CG 3.3Å; S135-E139 PolarHBondContact O-N 2.8Å; R136-E139 PolarHBondContact O-N 3.43Å; E139-K143 WeakPolarHBondContact O-CB 3.32Å; E139-K143 VanDerWaalsContact O-CG 3.27Å; E139-K143 WeakPolarHBondContact O-CG 3.43Å; E139-K143 PolarHBondContact O-N 3.49Å; E139-K434 WeakPolarHBondContact OE1-CE 3.2Å; E139-K434 IonicContact OE1-NZ 3.49Å; E139-K434 PolarHBondContact OE1-NZ 3.43Å
140T90.1Very high85.2Confident76 Ų7655 Ų5547%0.46629%0.292SS..Hα-helixtrans-61.9-48.1174.6-62.80000111.1R136 N137 L142 K143 T144R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 2.97Å; R136-T140 PolarHBondContact O-OG1 2.88Å; R136-T140 VanDerWaalsContact O-OG1 3.07Å; N137-T140 PolarHBondContact O-N 3.1Å; T140-L142 PolarHBondContact O-N 3.47Å; T140-K143 PolarHBondContact O-N 3.37Å; T140-T144 PolarHBondContact O-N 2.74Å; T140-T144 PolarHBondContact O-OG1 3.33Å
141L91Very high84.1Confident16 Ų1663.8 Ų63.88%0.08432%0.324CS..Hα-helixtrans-62.6-43.3178.7-76.7166.2000112.3N137 L138 K143 T144 E145 L165 K168 A169 L172N137-L141 WeakPolarHBondContact O-CB 3.06Å; N137-L141 WeakPolarHBondContact O-CG 3.38Å; N137-L141 PolarHBondContact O-N 2.88Å; L138-L141 PolarHBondContact O-N 3.14Å; L141-K143 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.28Å; L141-T144 PolarHBondContact O-N 3.48Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 2.98Å; L141-L165 HydrophobicContact CB-CD2 4.13Å; L141-K168 HydrophobicContact CD1-CB 3.66Å; L141-K168 HydrophobicContact CD2-CB 4.35Å; L141-K168 HydrophobicContact CD2-CD 4.44Å; L141-A169 HydrophobicContact CD1-CB 3.75Å; L141-A169 VanDerWaalsContact CD1-N 3.32Å; L141-L172 HydrophobicContact CD1-CD1 4.05Å; L141-L172 HydrophobicContact CG-CD1 4.41Å
142L87.2Confident83.7Confident2 Ų268.1 Ų68.11%0.0135%0.347CS..Hα-helixtrans-61-43.1175.8-78.2166.5000111.6L138 T140 T144 M146 L165 V438 L439 Y443L138-L142 HydrophobicContact CD1-CD1 4.35Å; L138-L142 HydrophobicContact CG-CD1 4.01Å; L138-L142 WeakPolarHBondContact O-CB 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 3.24Å; T140-L142 PolarHBondContact O-N 3.47Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 3.2Å; L142-M146 HydrophobicContact CD2-SD 3.71Å; L142-M146 CarbonylContact O-C 3.58Å; L142-M146 VanDerWaalsContact O-CA 3.28Å; L142-M146 WeakPolarHBondContact O-CA 3.49Å; L142-M146 VanDerWaalsContact O-CB 3.27Å; L142-M146 WeakPolarHBondContact O-CB 3.47Å; L142-M146 PolarHBondContact O-N 2.9Å; L142-L165 HydrophobicContact CD2-CD1 3.61Å; L142-L165 HydrophobicContact CG-CD1 4.49Å; L142-V438 HydrophobicContact CD1-CB 4.11Å; L142-V438 HydrophobicContact CD1-CG1 3.54Å; L142-L439 HydrophobicContact CD2-CD2 4.05Å; L142-Y443 PolarHBondContact O-OH 3.23Å
143K84.2Confident83.6Confident123 Ų12369.2 Ų69.254%0.53534%0.339SS..Hα-helixtrans-64.7-34.8176.2-74.2171.6-177.8174.60112.8E139 T140 L141 P147E139-K143 WeakPolarHBondContact O-CB 3.32Å; E139-K143 VanDerWaalsContact O-CG 3.27Å; E139-K143 WeakPolarHBondContact O-CG 3.43Å; E139-K143 PolarHBondContact O-N 3.49Å; T140-K143 PolarHBondContact O-N 3.37Å; L141-K143 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.28Å; K143-P147 VanDerWaalsContact O-CA 3.29Å; K143-P147 WeakPolarHBondContact O-CA 3.33Å
144T85.2Confident83.6Confident102 Ų10270.8 Ų70.863%0.62634%0.342SS*.Hα-helixtrans-76.6-46.3179.5-590000112.1T140 L141 L142T140-T144 PolarHBondContact O-N 2.74Å; T140-T144 PolarHBondContact O-OG1 3.33Å; L141-T144 PolarHBondContact O-N 3.48Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 3.2Å
145E80Confident83.6Confident47 Ų4776.9 Ų76.922%0.2237%0.371CS..Hα-helixtrans-81.8-22.2-177.1-64.7-168.2-160.400113L141 L165 K168L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 2.98Å; E145-L165 HydrophobicContact CB-CD2 4.38Å; E145-L165 HydrophobicContact CG-CD2 4.31Å; E145-L165 WeakPolarHBondContact OE2-CD2 3.37Å; E145-K168 WeakPolarHBondContact OE1-CD 3.36Å; E145-K168 IonicContact OE1-NZ 3.1Å; E145-K168 PolarHBondContact OE1-NZ 3.22Å; E145-K168 IonicContact OE2-NZ 2.72Å
146M78.1Confident83.8Confident4 Ų477.2 Ų77.22%0.0237%0.369CS..SBendtrans-137.169.8-178.5-50.4169.158.400110.3L142 L148 L161 L165 L439 Y443 Y477L142-M146 HydrophobicContact CD2-SD 3.71Å; L142-M146 CarbonylContact O-C 3.58Å; L142-M146 VanDerWaalsContact O-CA 3.28Å; L142-M146 WeakPolarHBondContact O-CA 3.49Å; L142-M146 VanDerWaalsContact O-CB 3.27Å; L142-M146 WeakPolarHBondContact O-CB 3.47Å; L142-M146 PolarHBondContact O-N 2.9Å; M146-L148 PolarHBondContact O-N 3.03Å; M146-L161 HydrophobicContact SD-CD1 4.23Å; M146-L165 HydrophobicContact SD-CD1 4.5Å; M146-L439 HydrophobicContact CE-CD2 4.14Å; M146-L439 HydrophobicContact SD-CD2 4.43Å; M146-Y443 HydrophobicContact CB-CE1 3.57Å; M146-Y443 HydrophobicContact CE-CD1 3.33Å; M146-Y443 HydrophobicContact CE-CD2 4.15Å; M146-Y443 HydrophobicContact CE-CE1 3.39Å; M146-Y443 HydrophobicContact CE-CE2 4.2Å; M146-Y443 HydrophobicContact CE-CG 3.74Å; M146-Y443 HydrophobicContact CG-CE1 4.5Å; M146-Y443 PolarHBondContact O-OH 2.84Å; M146-Y443 HydrophobicContact SD-CE1 4.34Å; M146-Y477 HydrophobicContact CB-CE2 4.2Å; M146-Y477 HydrophobicContact CE-CD1 4.22Å; M146-Y477 HydrophobicContact CE-CD2 3.06Å; M146-Y477 HydrophobicContact CE-CE1 4.33Å; M146-Y477 HydrophobicContact CE-CE2 3.2Å; M146-Y477 HydrophobicContact CE-CG 3.59Å; M146-Y477 HydrophobicContact CG-CD2 4.36Å; M146-Y477 HydrophobicContact CG-CE2 3.52Å; M146-Y477 HydrophobicContact SD-CD2 4.24Å; M146-Y477 HydrophobicContact SD-CE2 3.77Å
147P72.6Confident84.1Confident47 Ų4772.3 Ų72.331%0.30535%0.353SS..  trans-61.1131.7-174.9-18.930.8000111.8K143 N149 Q150 P479K143-P147 VanDerWaalsContact O-CA 3.29Å; K143-P147 WeakPolarHBondContact O-CA 3.33Å; P147-N149 PolarHBondContact O-N 3.47Å; P147-Q150 WeakPolarHBondContact O-CB 3.45Å; P147-Q150 PolarHBondContact O-N 2.97Å; P147-P479 WeakPolarHBondContact O-CG 3.32Å
148L66.5Low84.4Confident95 Ų9571.7 Ų71.750%0.49735%0.35SS..THydrogen-bonded Turntrans-59.2-20.4-179.5-65.6174000113.7M146 Q150 P479M146-L148 PolarHBondContact O-N 3.03Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-P479 HydrophobicContact CB-CB 4.5Å; L148-P479 HydrophobicContact CD2-CB 3.84Å; L148-P479 HydrophobicContact CD2-CG 4.44Å
149N65.3Low84.6Confident155 Ų15572.5 Ų72.583%0.82935%0.354SS*.THydrogen-bonded Turntrans-83.2-10.7-180-61.1-2.7000112.9P147 R151P147-N149 PolarHBondContact O-N 3.47Å; N149-R151 PolarHBondContact O-N 2.99Å
150Q66.9Low85Confident93 Ų9373 Ų7344%0.43536%0.356SS..  trans-85.4106.5179.4-169.51715.900109.6P147 L148 P479P147-Q150 WeakPolarHBondContact O-CB 3.45Å; P147-Q150 PolarHBondContact O-N 2.97Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; Q150-P479 VanDerWaalsContact O-CD 3.25Å; Q150-P479 WeakPolarHBondContact O-CD 3.19Å
151R70Confident85.3Confident199 Ų19969.5 Ų69.575%0.75133%0.334SS*.  trans-85.9-2.9-176.5-64.1-171.5179.8-164.6-2.3114.9N149N149-R151 PolarHBondContact O-N 2.99Å
152N83.1Confident85.7Confident122 Ų12268.7 Ų68.765%0.65233%0.33SS*.SBendtrans-88.4140.5-179.9-66.5-13.4000110.1K154N152-K154 PolarHBondContact O-N 2.88Å
153W90.4Very high86.2Confident104 Ų10468.6 Ų68.639%0.39433%0.33SS..  trans-60.1132.3167.8-72.191.5000110.1D444 E446 R476 Y477 T478W153-D444 HydrophobicContact CH2-CB 3.78Å; W153-D444 HydrophobicContact CZ2-CB 4.45Å; W153-D444 HydrophobicContact CZ3-CB 4.4Å; W153-E446 HydrophobicContact CH2-CG 3.91Å; W153-E446 HydrophobicContact CZ3-CB 4.41Å; W153-E446 HydrophobicContact CZ3-CG 4.19Å; W153-R476 HydrophobicContact CD2-CG 4.3Å; W153-R476 HydrophobicContact CE3-CB 3.77Å; W153-R476 HydrophobicContact CE3-CG 3.49Å; W153-R476 VanDerWaalsContact CE3-CG 3.49Å; W153-R476 HydrophobicContact CZ3-CB 4.38Å; W153-R476 HydrophobicContact CZ3-CG 3.75Å; W153-R476 WeakPolarHBondContact CZ3-O 3.22Å; W153-Y477 WeakPolarHBondContact CA-O 3.44Å; W153-Y477 VanDerWaalsContact CE3-C 3.5Å; W153-T478 HydrophobicContact CD2-CG2 3.97Å; W153-T478 HydrophobicContact CE3-CG2 4.15Å; W153-T478 HydrophobicContact CH2-CG2 4.06Å; W153-T478 HydrophobicContact CZ2-CG2 3.83Å; W153-T478 HydrophobicContact CZ3-CG2 4.2Å
154K91.8Very high86.8Confident71 Ų7163 Ų6331%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-109.6130.5172179175.4165.8-1540109N152 E156 R476 Y477N152-K154 PolarHBondContact O-N 2.88Å; K154-E156 IonicContact NZ-OE2 3.75Å; K154-E156 PolarHBondContact NZ-OE2 3.1Å; K154-R476 CarbonylContact O-C 3.43Å; K154-R476 WeakPolarHBondContact O-CA 3.32Å; K154-Y477 HydrophobicContact CB-CD2 4.36Å; K154-Y477 HydrophobicContact CB-CE2 3.92Å; K154-Y477 HydrophobicContact CD-CE2 3.99Å; K154-Y477 VanDerWaalsContact CD-OH 3.26Å; K154-Y477 WeakPolarHBondContact CD-OH 3.39Å; K154-Y477 WeakPolarHBondContact CE-OH 3.41Å; K154-Y477 HydrophobicContact CG-CE2 4.27Å; K154-Y477 PolarHBondContact N-O 2.87Å; K154-Y477 PolarHBondContact NZ-OH 3.17Å; K154-Y477 PolarHBondContact O-N 2.94Å
155E95Very high87.4Confident133 Ų13358.1 Ų58.162%0.62128%0.276SS*.EExtended strand (participates in β ladder)trans-93.1137.8174.2-60.3-169.7175.600110.8V475 R476E155-V475 CarbonylContact C-O 3.58Å; E155-V475 WeakPolarHBondContact CA-O 3.45Å; E155-R476 HydrophobicContact CG-CB 4.14Å
156E95.4Very high88.2Confident38 Ų3856 Ų5618%0.17827%0.267CS..EExtended strand (participates in β ladder)trans-157.4159179.1-164.5161.9-175.800110.9K154 L161 V475 Y477K154-E156 IonicContact NZ-OE2 3.75Å; K154-E156 PolarHBondContact NZ-OE2 3.1Å; E156-L161 HydrophobicContact CG-CB 4.3Å; E156-V475 PolarHBondContact N-O 3.29Å; E156-V475 WeakPolarHBondContact O-CG2 3.4Å; E156-V475 PolarHBondContact O-N 3.33Å; E156-V475 VanDerWaalsContact O-O 3.08Å; E156-Y477 HydrophobicContact CB-CE1 3.98Å; E156-Y477 PolarHBondContact OE2-OH 3.46Å
157G98.1Very high89.2Confident10 Ų1056 Ų5610%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-73128.1167.900000111.2F159 Q160 L161 D472G157-F159 VanDerWaalsContact C-N 3.3Å; G157-F159 PolarHBondContact O-N 3.22Å; G157-Q160 PolarHBondContact O-N 3.36Å; G157-L161 WeakPolarHBondContact O-CB 3.47Å; G157-L161 PolarHBondContact O-N 2.68Å; G157-D472 VanDerWaalsContact C-OD1 3.24Å; G157-D472 WeakPolarHBondContact CA-OD1 3.2Å; G157-D472 VanDerWaalsContact CA-OD2 3.29Å; G157-D472 WeakPolarHBondContact CA-OD2 3.15Å
158L98.5Very high90.3Very high0 Ų054.5 Ų54.50%026%0.255CS..Hα-helixtrans-61.7-35.7-178.5-176.662.5000112.8S162 F279 L282 L286 D472 L473 V475L158-S162 WeakPolarHBondContact O-CB 3.35Å; L158-S162 PolarHBondContact O-N 2.69Å; L158-S162 PolarHBondContact O-OG 2.83Å; L158-F279 HydrophobicContact CB-CD2 4.08Å; L158-F279 HydrophobicContact CB-CE2 4.24Å; L158-F279 HydrophobicContact CD2-CD2 4.14Å; L158-F279 HydrophobicContact CD2-CE2 4.35Å; L158-F279 HydrophobicContact CG-CD2 3.92Å; L158-F279 HydrophobicContact CG-CE2 4.41Å; L158-L282 HydrophobicContact CD1-CB 4.07Å; L158-L282 HydrophobicContact CD1-CD1 4.01Å; L158-L282 HydrophobicContact CD2-CB 3.92Å; L158-L282 HydrophobicContact CG-CB 4.39Å; L158-L286 HydrophobicContact CD2-CD1 4.01Å; L158-D472 PolarHBondContact N-OD1 2.98Å; L158-L473 HydrophobicContact CB-CB 4.27Å; L158-L473 VanDerWaalsContact CB-O 3.25Å; L158-L473 WeakPolarHBondContact CB-O 3.47Å; L158-L473 HydrophobicContact CD2-CD2 3.99Å; L158-L473 PolarHBondContact N-O 3.32Å; L158-V475 HydrophobicContact CB-CG1 3.97Å; L158-V475 HydrophobicContact CB-CG2 4.02Å; L158-V475 HydrophobicContact CD1-CG1 4.26Å; L158-V475 HydrophobicContact CD1-CG2 4.18Å; L158-V475 HydrophobicContact CD2-CG1 4.32Å; L158-V475 HydrophobicContact CG-CG1 4.41Å
159F98.5Very high91.7Very high19 Ų1950 Ų508%0.08323%0.231CC..Hα-helixtrans-68.5-46.9176.5179.9-116.9000110.4G157 S162 Y163 P276 F279 Q468 P469 D472G157-F159 VanDerWaalsContact C-N 3.3Å; G157-F159 PolarHBondContact O-N 3.22Å; F159-S162 PolarHBondContact O-N 2.83Å; F159-Y163 HydrophobicContact CE1-CD1 4.11Å; F159-Y163 AromaticContact CE2-CD1 3.77Å; F159-Y163 HydrophobicContact CE2-CD1 3.77Å; F159-Y163 HydrophobicContact CE2-CE1 4.37Å; F159-Y163 AromaticContact CZ-CD1 3.48Å; F159-Y163 HydrophobicContact CZ-CD1 3.48Å; F159-Y163 VanDerWaalsContact CZ-CD1 3.48Å; F159-Y163 AromaticContact CZ-CE1 3.92Å; F159-Y163 HydrophobicContact CZ-CE1 3.92Å; F159-Y163 WeakPolarHBondContact O-CB 3.45Å; F159-Y163 PolarHBondContact O-N 2.73Å; F159-P276 HydrophobicContact CE2-CB 4.12Å; F159-P276 HydrophobicContact CE2-CG 4Å; F159-F279 HydrophobicContact CB-CB 4.46Å; F159-F279 HydrophobicContact CB-CD1 4.44Å; F159-F279 HydrophobicContact CB-CD2 3.5Å; F159-F279 VanDerWaalsContact CB-CD2 3.5Å; F159-F279 HydrophobicContact CB-CE2 3.76Å; F159-F279 HydrophobicContact CB-CG 3.86Å; F159-F279 HydrophobicContact CB-CZ 4.36Å; F159-F279 HydrophobicContact CD2-CB 3.78Å; F159-F279 AromaticContact CD2-CD1 3.83Å; F159-F279 HydrophobicContact CD2-CD1 3.83Å; F159-F279 HydrophobicContact CD2-CD2 4.21Å; F159-F279 AromaticContact CD2-CG 3.64Å; F159-F279 HydrophobicContact CD2-CG 3.64Å; F159-F279 HydrophobicContact CG-CD2 4.35Å; F159-F279 HydrophobicContact CG-CG 4.23Å; F159-F279 VanDerWaalsContact N-CD2 3.32Å; F159-Q468 HydrophobicContact CE2-CB 4.47Å; F159-Q468 HydrophobicContact CE2-CG 4.3Å; F159-Q468 HydrophobicContact CZ-CB 4.03Å; F159-Q468 HydrophobicContact CZ-CG 3.9Å; F159-P469 HydrophobicContact CB-CG 4.03Å; F159-P469 HydrophobicContact CD1-CG 3.99Å; F159-P469 HydrophobicContact CD2-CG 3.87Å; F159-P469 HydrophobicContact CE1-CG 4.4Å; F159-P469 HydrophobicContact CE2-CG 4.29Å; F159-P469 HydrophobicContact CG-CG 3.7Å; F159-D472 VanDerWaalsContact CB-OD1 3.32Å; F159-D472 WeakPolarHBondContact CB-OD1 3.21Å; F159-D472 PolarHBondContact N-OD1 3.1Å; F159-D472 PolarHBondContact N-OD2 3.12Å
160Q97.2Very high93.3Very high78 Ų7842.7 Ų42.736%0.36419%0.193SC..Hα-helixtrans-58.7-48.4174.7176.562.35.300112G157 S164 Y190 D472G157-Q160 PolarHBondContact O-N 3.36Å; Q160-S164 WeakPolarHBondContact O-CB 3.39Å; Q160-S164 PolarHBondContact O-N 2.88Å; Q160-Y190 PolarHBondContact OE1-OH 2.8Å; Q160-D472 PolarHBondContact N-OD2 2.65Å
161L96.6Very high94.7Very high1 Ų138.4 Ų38.41%0.00517%0.173CC..Hα-helixtrans-58.4-53.4177.6177.366.9000111.2M146 E156 G157 Y163 L165 Y477M146-L161 HydrophobicContact SD-CD1 4.23Å; E156-L161 HydrophobicContact CG-CB 4.3Å; G157-L161 WeakPolarHBondContact O-CB 3.47Å; G157-L161 PolarHBondContact O-N 2.68Å; L161-Y163 PolarHBondContact O-N 3.32Å; L161-L165 HydrophobicContact CD1-CD1 3.53Å; L161-L165 HydrophobicContact CD1-CG 4.37Å; L161-L165 HydrophobicContact CG-CD1 4.15Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 PolarHBondContact O-N 3.1Å; L161-Y477 HydrophobicContact CD1-CE1 4.1Å; L161-Y477 HydrophobicContact CD2-CD1 4Å; L161-Y477 HydrophobicContact CD2-CE1 3.78Å
162S98.1Very high95.8Very high0 Ų029.5 Ų29.50%014%0.14CC..Hα-helixtrans-62.5-45.7-177.3-58.90000111.7L158 F159 L166L158-S162 WeakPolarHBondContact O-CB 3.35Å; L158-S162 PolarHBondContact O-N 2.69Å; L158-S162 PolarHBondContact O-OG 2.83Å; F159-S162 PolarHBondContact O-N 2.83Å; S162-L166 VanDerWaalsContact O-CB 3.27Å; S162-L166 WeakPolarHBondContact O-CB 3.17Å; S162-L166 WeakPolarHBondContact O-CD1 3.39Å; S162-L166 WeakPolarHBondContact O-CG 3.36Å; S162-L166 PolarHBondContact O-N 2.65Å
163Y98.3Very high96.4Very high0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-73.8-43.8-176.1-154.4164.3000111.4F159 L161 F167 Y190 Y193 K194 E197 G272 P276F159-Y163 HydrophobicContact CE1-CD1 4.11Å; F159-Y163 AromaticContact CE2-CD1 3.77Å; F159-Y163 HydrophobicContact CE2-CD1 3.77Å; F159-Y163 HydrophobicContact CE2-CE1 4.37Å; F159-Y163 AromaticContact CZ-CD1 3.48Å; F159-Y163 HydrophobicContact CZ-CD1 3.48Å; F159-Y163 VanDerWaalsContact CZ-CD1 3.48Å; F159-Y163 AromaticContact CZ-CE1 3.92Å; F159-Y163 HydrophobicContact CZ-CE1 3.92Å; F159-Y163 WeakPolarHBondContact O-CB 3.45Å; F159-Y163 PolarHBondContact O-N 2.73Å; L161-Y163 PolarHBondContact O-N 3.32Å; Y163-F167 HydrophobicContact CD2-CB 4.2Å; Y163-F167 HydrophobicContact CE2-CD2 4.43Å; Y163-F167 WeakPolarHBondContact O-CB 3.45Å; Y163-F167 PolarHBondContact O-N 3.34Å; Y163-Y190 HydrophobicContact CD2-CE2 4.19Å; Y163-Y190 HydrophobicContact CG-CE2 4.21Å; Y163-Y193 HydrophobicContact CE2-CE1 4.11Å; Y163-Y193 AromaticContact CZ-CE1 3.91Å; Y163-Y193 WeakPolarHBondContact OH-CE1 3.45Å; Y163-Y193 PolarHBondContact OH-OH 2.83Å; Y163-K194 HydrophobicContact CD1-CD 4.19Å; Y163-K194 HydrophobicContact CE1-CD 4.18Å; Y163-K194 VanDerWaalsContact CE1-NZ 3.32Å; Y163-E197 VanDerWaalsContact CE1-OE2 3.29Å; Y163-E197 WeakPolarHBondContact CE1-OE2 3.14Å; Y163-E197 VanDerWaalsContact OH-CD 3.26Å; Y163-E197 PolarHBondContact OH-OE2 3.36Å; Y163-G272 WeakPolarHBondContact OH-CA 3.49Å; Y163-G272 PolarHBondContact OH-O 2.95Å; Y163-P276 HydrophobicContact CD1-CG 4.14Å; Y163-P276 HydrophobicContact CE1-CG 3.76Å
164S97.5Very high96.6Very high5 Ų519 Ų194%0.0359%0.092CC..Hα-helixtrans-60.1-52-179.5-163.70000111.7Q160 F167 K168 Y190Q160-S164 WeakPolarHBondContact O-CB 3.39Å; Q160-S164 PolarHBondContact O-N 2.88Å; S164-F167 PolarHBondContact O-N 2.88Å; S164-K168 WeakPolarHBondContact O-CB 3.27Å; S164-K168 WeakPolarHBondContact O-CD 3.23Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.18Å; S164-K168 VanDerWaalsContact OG-CE 3.23Å; S164-K168 WeakPolarHBondContact OG-CE 3.44Å; S164-K168 PolarHBondContact OG-NZ 3.06Å; S164-K168 VanDerWaalsContact OG-NZ 3.1Å; S164-Y190 WeakPolarHBondContact OG-CD1 3.46Å; S164-Y190 WeakPolarHBondContact OG-CE1 3.37Å
165L96.7Very high96.7Very high0 Ų015.7 Ų15.70%08%0.077CC..Hα-helixtrans-63.7-47.9-177.6-73170.8000112.3L141 L142 E145 M146 L161 K168 A169 F435L141-L165 HydrophobicContact CB-CD2 4.13Å; L142-L165 HydrophobicContact CD2-CD1 3.61Å; L142-L165 HydrophobicContact CG-CD1 4.49Å; E145-L165 HydrophobicContact CB-CD2 4.38Å; E145-L165 HydrophobicContact CG-CD2 4.31Å; E145-L165 WeakPolarHBondContact OE2-CD2 3.37Å; M146-L165 HydrophobicContact SD-CD1 4.5Å; L161-L165 HydrophobicContact CD1-CD1 3.53Å; L161-L165 HydrophobicContact CD1-CG 4.37Å; L161-L165 HydrophobicContact CG-CD1 4.15Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 PolarHBondContact O-N 3.1Å; L165-K168 PolarHBondContact O-N 2.86Å; L165-A169 VanDerWaalsContact O-CB 3.25Å; L165-A169 WeakPolarHBondContact O-CB 3.12Å; L165-A169 PolarHBondContact O-N 3.31Å; L165-F435 HydrophobicContact CB-CE2 4.12Å; L165-F435 HydrophobicContact CD1-CE2 3.95Å; L165-F435 HydrophobicContact CD1-CZ 4.49Å
166L98.3Very high95.8Very high3 Ų39.9 Ų9.92%0.0165%0.053CC..Hα-helixtrans-67.9-36.5-179.5-75.9168.9000112.5M134 S162 G170 V274 A278 T431 F435M134-L166 HydrophobicContact CE-CD2 4.07Å; S162-L166 VanDerWaalsContact O-CB 3.27Å; S162-L166 WeakPolarHBondContact O-CB 3.17Å; S162-L166 WeakPolarHBondContact O-CD1 3.39Å; S162-L166 WeakPolarHBondContact O-CG 3.36Å; S162-L166 PolarHBondContact O-N 2.65Å; L166-G170 PolarHBondContact O-N 3.28Å; L166-V274 HydrophobicContact CD1-CG1 4.17Å; L166-V274 HydrophobicContact CD2-CG1 4.26Å; L166-A278 HydrophobicContact CD1-CB 3.31Å; L166-T431 HydrophobicContact CD2-CG2 3.55Å; L166-F435 HydrophobicContact CD1-CD1 3.71Å; L166-F435 HydrophobicContact CD1-CE1 3.98Å; L166-F435 HydrophobicContact CD1-CG 4.06Å; L166-F435 HydrophobicContact CD2-CB 3.83Å; L166-F435 HydrophobicContact CD2-CD1 4.43Å; L166-F435 HydrophobicContact CD2-CD2 4.26Å; L166-F435 HydrophobicContact CD2-CG 3.92Å; L166-F435 HydrophobicContact CG-CB 4.45Å; L166-F435 HydrophobicContact CG-CD1 4.15Å; L166-F435 HydrophobicContact CG-CD2 4.22Å; L166-F435 HydrophobicContact CG-CE1 4.43Å; L166-F435 HydrophobicContact CG-CE2 4.5Å; L166-F435 HydrophobicContact CG-CG 4.02Å
167F98.1Very high94.5Very high2 Ų28.5 Ų8.51%0.0095%0.049CC..Hα-helixtrans-63.8-51.1174.1179.2-81.4000111Y163 S164 A169 G170 Y171 V189 Y190 Y193 L267 Q271Y163-F167 HydrophobicContact CD2-CB 4.2Å; Y163-F167 HydrophobicContact CE2-CD2 4.43Å; Y163-F167 WeakPolarHBondContact O-CB 3.45Å; Y163-F167 PolarHBondContact O-N 3.34Å; S164-F167 PolarHBondContact O-N 2.88Å; F167-A169 PolarHBondContact O-N 3.06Å; F167-G170 PolarHBondContact O-N 3.3Å; F167-Y171 VanDerWaalsContact O-CB 3.22Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 PolarHBondContact O-N 3.46Å; F167-V189 HydrophobicContact CE1-CB 4.25Å; F167-V189 HydrophobicContact CE1-CG1 4.01Å; F167-V189 HydrophobicContact CZ-CG1 3.95Å; F167-Y190 HydrophobicContact CB-CD2 3.71Å; F167-Y190 HydrophobicContact CB-CE2 4.14Å; F167-Y190 AromaticContact CD1-CD2 3.66Å; F167-Y190 HydrophobicContact CD1-CD2 3.66Å; F167-Y190 HydrophobicContact CD1-CG 4.08Å; F167-Y190 HydrophobicContact CD2-CD2 4.16Å; F167-Y190 VanDerWaalsContact CE1-CA 3.48Å; F167-Y190 HydrophobicContact CE1-CD2 4.34Å; F167-Y190 AromaticContact CG-CD2 3.57Å; F167-Y190 HydrophobicContact CG-CD2 3.57Å; F167-Y190 HydrophobicContact CG-CE2 4.37Å; F167-Y190 HydrophobicContact CG-CG 4.43Å; F167-Y193 AromaticContact CD2-CD1 3.66Å; F167-Y193 HydrophobicContact CD2-CD1 3.66Å; F167-Y193 AromaticContact CD2-CE1 3.78Å; F167-Y193 HydrophobicContact CD2-CE1 3.78Å; F167-Y193 HydrophobicContact CD2-CG 4.21Å; F167-Y193 AromaticContact CE2-CD1 3.23Å; F167-Y193 HydrophobicContact CE2-CD1 3.23Å; F167-Y193 AromaticContact CE2-CD2 3.78Å; F167-Y193 HydrophobicContact CE2-CD2 3.78Å; F167-Y193 AromaticContact CE2-CE1 3.61Å; F167-Y193 HydrophobicContact CE2-CE1 3.61Å; F167-Y193 HydrophobicContact CE2-CE2 4.13Å; F167-Y193 AromaticContact CE2-CG 3.32Å; F167-Y193 HydrophobicContact CE2-CG 3.32Å; F167-Y193 AromaticContact CZ-CD1 3.98Å; F167-Y193 HydrophobicContact CZ-CD1 3.98Å; F167-Y193 HydrophobicContact CZ-CD2 4.28Å; F167-Y193 AromaticContact CZ-CG 3.72Å; F167-Y193 HydrophobicContact CZ-CG 3.72Å; F167-L267 HydrophobicContact CE2-CD1 4.2Å; F167-L267 HydrophobicContact CE2-CD2 4.48Å; F167-L267 HydrophobicContact CE2-CG 4.29Å; F167-L267 HydrophobicContact CZ-CD1 3.95Å; F167-L267 HydrophobicContact CZ-CD2 4.07Å; F167-L267 HydrophobicContact CZ-CG 4.22Å; F167-Q271 HydrophobicContact CD2-CB 3.53Å; F167-Q271 HydrophobicContact CD2-CG 4.03Å; F167-Q271 HydrophobicContact CE2-CB 3.76Å; F167-Q271 HydrophobicContact CE2-CG 4Å; F167-Q271 HydrophobicContact CG-CB 4.48Å
168K97Very high92.4Very high16 Ų1613.3 Ų13.37%0.077%0.069CC..Hα-helixtrans-61.8-45.6-178.2-71.1167.3175.41660110.8L141 E145 S164 L165 Y171 L172 P186 S187L141-K168 HydrophobicContact CD1-CB 3.66Å; L141-K168 HydrophobicContact CD2-CB 4.35Å; L141-K168 HydrophobicContact CD2-CD 4.44Å; E145-K168 WeakPolarHBondContact OE1-CD 3.36Å; E145-K168 IonicContact OE1-NZ 3.1Å; E145-K168 PolarHBondContact OE1-NZ 3.22Å; E145-K168 IonicContact OE2-NZ 2.72Å; S164-K168 WeakPolarHBondContact O-CB 3.27Å; S164-K168 WeakPolarHBondContact O-CD 3.23Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.18Å; S164-K168 VanDerWaalsContact OG-CE 3.23Å; S164-K168 WeakPolarHBondContact OG-CE 3.44Å; S164-K168 PolarHBondContact OG-NZ 3.06Å; S164-K168 VanDerWaalsContact OG-NZ 3.1Å; L165-K168 PolarHBondContact O-N 2.86Å; K168-Y171 PolarHBondContact O-N 3.37Å; K168-L172 WeakPolarHBondContact O-CB 3.49Å; K168-L172 VanDerWaalsContact O-CG 3.31Å; K168-L172 WeakPolarHBondContact O-CG 3.43Å; K168-L172 PolarHBondContact O-N 3.38Å; K168-P186 HydrophobicContact CB-CB 3.96Å; K168-P186 HydrophobicContact CG-CB 3.83Å; K168-S187 WeakPolarHBondContact CE-OG 3.48Å
169A96.1Very high90.3Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-62.2-47.2177.600000111.3M134 N137 L138 L141 L165 F167 Y171 L172 T173M134-A169 HydrophobicContact CE-CB 3.42Å; M134-A169 VanDerWaalsContact CE-CB 3.42Å; M134-A169 VanDerWaalsContact SD-C 3.52Å; M134-A169 HydrophobicContact SD-CB 3.71Å; N137-A169 HydrophobicContact CB-CB 4.43Å; L138-A169 HydrophobicContact CB-CB 4.12Å; L138-A169 HydrophobicContact CD1-CB 3.99Å; L141-A169 HydrophobicContact CD1-CB 3.75Å; L141-A169 VanDerWaalsContact CD1-N 3.32Å; L165-A169 VanDerWaalsContact O-CB 3.25Å; L165-A169 WeakPolarHBondContact O-CB 3.12Å; L165-A169 PolarHBondContact O-N 3.31Å; F167-A169 PolarHBondContact O-N 3.06Å; A169-Y171 PolarHBondContact O-N 2.96Å; A169-L172 PolarHBondContact O-N 3.15Å; A169-T173 WeakPolarHBondContact O-CB 2.93Å; A169-T173 PolarHBondContact O-N 2.73Å; A169-T173 PolarHBondContact O-OG1 3.48Å
170G97.1Very high88Confident2 Ų224.6 Ų24.62%0.02113%0.125CC..Hα-helixtrans-66.8-35.7178.500000113.4L166 F167 T173 L174L166-G170 PolarHBondContact O-N 3.28Å; F167-G170 PolarHBondContact O-N 3.3Å; G170-T173 PolarHBondContact O-N 2.79Å; G170-L174 WeakPolarHBondContact O-CB 3.4Å; G170-L174 PolarHBondContact O-N 3.47Å
171Y96.6Very high85.6Confident4 Ų429.3 Ų29.32%0.01615%0.153CC..Hα-helixtrans-61.2-51.4171.4169.8-99.2000111.1F167 K168 A169 T173 L174 F175 G176 P186 V189 L227 L267F167-Y171 VanDerWaalsContact O-CB 3.22Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 PolarHBondContact O-N 3.46Å; K168-Y171 PolarHBondContact O-N 3.37Å; A169-Y171 PolarHBondContact O-N 2.96Å; Y171-T173 VanDerWaalsContact C-N 3.25Å; Y171-T173 PolarHBondContact O-N 3.2Å; Y171-L174 PolarHBondContact O-N 3.05Å; Y171-F175 HydrophobicContact CD2-CB 3.66Å; Y171-F175 HydrophobicContact CD2-CD2 4.09Å; Y171-F175 HydrophobicContact CD2-CG 4.04Å; Y171-F175 HydrophobicContact CE2-CB 3.53Å; Y171-F175 HydrophobicContact CE2-CG 4.22Å; Y171-F175 HydrophobicContact CG-CB 4.48Å; Y171-F175 WeakPolarHBondContact O-CA 3.42Å; Y171-F175 WeakPolarHBondContact O-CB 3.42Å; Y171-F175 PolarHBondContact O-N 3.02Å; Y171-G176 PolarHBondContact O-N 2.78Å; Y171-P186 HydrophobicContact CD1-CB 3.84Å; Y171-P186 HydrophobicContact CD1-CG 3.92Å; Y171-P186 HydrophobicContact CE1-CB 4.3Å; Y171-P186 HydrophobicContact CE1-CG 4.1Å; Y171-V189 HydrophobicContact CD2-CG1 4.16Å; Y171-V189 HydrophobicContact CE1-CG2 4.27Å; Y171-V189 HydrophobicContact CE2-CG1 4.1Å; Y171-V189 HydrophobicContact CE2-CG2 4.14Å; Y171-L227 HydrophobicContact CE2-CD2 3.81Å; Y171-L267 HydrophobicContact CD2-CD1 3.98Å
172L94.3Very high83.5Confident12 Ų1237.1 Ų37.16%0.06320%0.195CC..Iπ-helixtrans-59.9-38.1177.1-71.4169.5000111.5N137 L141 K168 A169 G177 P186N137-L172 HydrophobicContact CB-CB 4.38Å; N137-L172 WeakPolarHBondContact ND2-CB 3.32Å; L141-L172 HydrophobicContact CD1-CD1 4.05Å; L141-L172 HydrophobicContact CG-CD1 4.41Å; K168-L172 WeakPolarHBondContact O-CB 3.49Å; K168-L172 VanDerWaalsContact O-CG 3.31Å; K168-L172 WeakPolarHBondContact O-CG 3.43Å; K168-L172 PolarHBondContact O-N 3.38Å; A169-L172 PolarHBondContact O-N 3.15Å; L172-G177 WeakPolarHBondContact CD2-O 3.29Å; L172-G177 PolarHBondContact O-N 2.99Å; L172-P186 HydrophobicContact CD1-CG 4.1Å; L172-P186 HydrophobicContact CD2-CG 3.54Å; L172-P186 HydrophobicContact CG-CG 3.74Å
173T94.6Very high81.9Confident5 Ų539.2 Ų39.23%0.03121%0.209CC..Iπ-helixtrans-69.7-36.3-180-62.60000113.4L130 T133 M134 N137 A169 G170 Y171 F427L130-T173 HydrophobicContact CD2-CG2 4.09Å; T133-T173 HydrophobicContact CG2-CG2 4.05Å; M134-T173 VanDerWaalsContact CA-OG1 3.27Å; M134-T173 WeakPolarHBondContact CA-OG1 3.44Å; M134-T173 HydrophobicContact CB-CG2 4.19Å; N137-T173 PolarHBondContact ND2-N 2.9Å; N137-T173 PolarHBondContact ND2-OG1 3Å; A169-T173 WeakPolarHBondContact O-CB 2.93Å; A169-T173 PolarHBondContact O-N 2.73Å; A169-T173 PolarHBondContact O-OG1 3.48Å; G170-T173 PolarHBondContact O-N 2.79Å; Y171-T173 VanDerWaalsContact C-N 3.25Å; Y171-T173 PolarHBondContact O-N 3.2Å; T173-F427 HydrophobicContact CG2-CZ 4.01Å
174L95.4Very high80.9Confident1 Ų140.8 Ų40.81%0.00522%0.219CC..Iπ-helixtrans-102.5-34.2-173.3-64.1-177.4000114F122 L130 G170 Y171 S239 W241 T270F122-L174 HydrophobicContact CE1-CD2 4.29Å; F122-L174 HydrophobicContact CZ-CD1 4.36Å; F122-L174 HydrophobicContact CZ-CD2 4.1Å; L130-L174 HydrophobicContact CD2-CD2 3.88Å; G170-L174 WeakPolarHBondContact O-CB 3.4Å; G170-L174 PolarHBondContact O-N 3.47Å; Y171-L174 PolarHBondContact O-N 3.05Å; L174-S239 PolarHBondContact O-N 2.93Å; L174-S239 PolarHBondContact O-OG 2.86Å; L174-W241 HydrophobicContact CB-CE3 4.43Å; L174-W241 HydrophobicContact CB-CZ3 4.17Å; L174-W241 HydrophobicContact CD1-CZ3 4.24Å; L174-W241 HydrophobicContact CD2-CE3 4.29Å; L174-T270 HydrophobicContact CD1-CG2 3.95Å
175F94Very high80.4Confident1 Ų143.9 Ų43.90%0.00424%0.235CC..Iπ-helixtrans-120.7-45.9-168.7-58.5-98.2000113.6Y171 L227 A230 S238 W241 L242 V263 Q266 L267Y171-F175 HydrophobicContact CD2-CB 3.66Å; Y171-F175 HydrophobicContact CD2-CD2 4.09Å; Y171-F175 HydrophobicContact CD2-CG 4.04Å; Y171-F175 HydrophobicContact CE2-CB 3.53Å; Y171-F175 HydrophobicContact CE2-CG 4.22Å; Y171-F175 HydrophobicContact CG-CB 4.48Å; Y171-F175 WeakPolarHBondContact O-CA 3.42Å; Y171-F175 WeakPolarHBondContact O-CB 3.42Å; Y171-F175 PolarHBondContact O-N 3.02Å; F175-L227 HydrophobicContact CD1-CD2 4.35Å; F175-A230 HydrophobicContact CB-CB 4.09Å; F175-A230 HydrophobicContact CD1-CB 4.24Å; F175-S238 PolarHBondContact O-OG 3.02Å; F175-W241 HydrophobicContact CZ-CH2 4.4Å; F175-W241 HydrophobicContact CZ-CZ3 4.2Å; F175-L242 HydrophobicContact CB-CD2 4.29Å; F175-L242 HydrophobicContact CD1-CD1 4.41Å; F175-L242 HydrophobicContact CD1-CD2 3.56Å; F175-L242 HydrophobicContact CE1-CD1 4.22Å; F175-L242 HydrophobicContact CE1-CD2 4.17Å; F175-L242 HydrophobicContact CG-CD2 4.12Å; F175-V263 HydrophobicContact CD1-CG1 4.06Å; F175-V263 HydrophobicContact CE1-CG1 3.89Å; F175-Q266 HydrophobicContact CZ-CB 4.32Å; F175-L267 HydrophobicContact CD2-CD1 4.08Å; F175-L267 HydrophobicContact CE1-CB 4.3Å; F175-L267 HydrophobicContact CE2-CD1 3.83Å; F175-L267 HydrophobicContact CZ-CB 4.01Å; F175-L267 HydrophobicContact CZ-CD1 4.11Å
176G76.6Confident80.2Confident11 Ų1144 Ų4411%0.11324%0.236CC..Iπ-helixtrans-93.1-19.3-162.700000117.2Y171Y171-G176 PolarHBondContact O-N 2.78Å
177G66.6Low80Confident8 Ų845.6 Ų45.68%0.08225%0.247CC..  trans65.7-172.9-17400000114.7L172 G237L172-G177 WeakPolarHBondContact CD2-O 3.29Å; L172-G177 PolarHBondContact O-N 2.99Å; G177-G237 VanDerWaalsContact CA-C 3.46Å; G177-G237 WeakPolarHBondContact CA-O 3.36Å; G177-G237 PolarHBondContact N-O 2.98Å
178E55Low79.8Confident112 Ų11253.2 Ų53.252%0.52328%0.276SS..SBendtrans-69.5143.7173.3-71.1178.3-154.500110.5R136 N180R136-E178 IonicContact CZ-OE1 2.78Å; R136-E178 IonicContact NH1-OE1 3.66Å; R136-E178 PolarHBondContact NH1-OE1 2.68Å; R136-E178 IonicContact NH2-OE1 3.65Å; R136-E178 PolarHBondContact NH2-OE1 2.89Å; E178-N180 PolarHBondContact O-N 2.83Å
179Q53.3Low79.7Confident136 Ų13652.5 Ų52.564%0.63627%0.273SS*.  trans-61.795.9-178.9-77.1-173-10.900111.4
180N51.4Low79.8Confident119 Ų11952.8 Ų52.864%0.63627%0.274SS*.  trans-94.9157.7160-70.9-19.9000109.2E178 N182 S183E178-N180 PolarHBondContact O-N 2.83Å; N180-N182 PolarHBondContact O-N 2.81Å; N180-S183 WeakPolarHBondContact O-CB 3.24Å; N180-S183 PolarHBondContact O-N 2.91Å; N180-S183 PolarHBondContact O-OG 3.38Å
181N46.9Very low79.8Confident178 Ų17858.2 Ų58.295%0.95230%0.299SS*.THydrogen-bonded Turntrans-55.1-12.6-175.3-76.9-14.5000115.9
182N52.7Low79.9Confident164 Ų16458.5 Ų58.588%0.87730%0.3SS*.THydrogen-bonded Turntrans-107.95.2177.9-69.9-12.2000114.2N180N180-N182 PolarHBondContact O-N 2.81Å
183S64.7Low80Confident44 Ų4457.9 Ų57.931%0.30830%0.297SS..SBendtrans-79.8145-178.361.20000112.2N180 D185N180-S183 WeakPolarHBondContact O-CB 3.24Å; N180-S183 PolarHBondContact O-N 2.91Å; N180-S183 PolarHBondContact O-OG 3.38Å; S183-D185 PolarHBondContact O-N 3.41Å
184T76.4Confident80.2Confident34 Ų3460 Ų6021%0.20931%0.306CS..PPolyproline II helixtrans-66.8128.1176.6-540000110.4P186 V189 L226T184-P186 VanDerWaalsContact O-CD 3.23Å; T184-P186 WeakPolarHBondContact O-CD 3.19Å; T184-V189 HydrophobicContact CG2-CG2 3.67Å; T184-L226 HydrophobicContact CG2-CB 4.2Å; T184-L226 HydrophobicContact CG2-CD2 3.61Å; T184-L226 HydrophobicContact CG2-CG 4.5Å; T184-L226 PolarHBondContact OG1-O 3.48Å
185D87.2Confident80.2Confident69 Ų6965 Ų6537%0.36933%0.327SS..PPolyproline II helixtrans-59.3116176.2175.38.6000111.3S183 S187 R188 V189S183-D185 PolarHBondContact O-N 3.41Å; D185-S187 PolarHBondContact O-N 3.4Å; D185-S187 VanDerWaalsContact O-N 3.12Å; D185-S187 VanDerWaalsContact OD1-CB 3.29Å; D185-S187 WeakPolarHBondContact OD1-CB 3.34Å; D185-S187 PolarHBondContact OD1-N 2.81Å; D185-S187 PolarHBondContact OD1-OG 2.69Å; D185-R188 HydrophobicContact CB-CB 4.43Å; D185-R188 HydrophobicContact CB-CG 4.21Å; D185-R188 PolarHBondContact O-N 3.49Å; D185-R188 VanDerWaalsContact O-N 3.12Å; D185-V189 PolarHBondContact O-N 3.04Å
186P92.2Very high80.4Confident4 Ų464.9 Ų64.93%0.02633%0.327CS..Hα-helixtrans-55.6-28.6177.6-26.635.7000114K168 Y171 L172 T184 V189 Y190K168-P186 HydrophobicContact CB-CB 3.96Å; K168-P186 HydrophobicContact CG-CB 3.83Å; Y171-P186 HydrophobicContact CD1-CB 3.84Å; Y171-P186 HydrophobicContact CD1-CG 3.92Å; Y171-P186 HydrophobicContact CE1-CB 4.3Å; Y171-P186 HydrophobicContact CE1-CG 4.1Å; L172-P186 HydrophobicContact CD1-CG 4.1Å; L172-P186 HydrophobicContact CD2-CG 3.54Å; L172-P186 HydrophobicContact CG-CG 3.74Å; T184-P186 VanDerWaalsContact O-CD 3.23Å; T184-P186 WeakPolarHBondContact O-CD 3.19Å; P186-V189 PolarHBondContact O-N 2.89Å; P186-Y190 WeakPolarHBondContact O-CB 3.33Å; P186-Y190 PolarHBondContact O-N 3.42Å
187S93.3Very high81.2Confident35 Ų3564.5 Ų64.525%0.24532%0.323CS..Hα-helixtrans-66.5-43.8178.8-50.30000111.2K168 D185 V189 Y190 E191K168-S187 WeakPolarHBondContact CE-OG 3.48Å; D185-S187 PolarHBondContact O-N 3.4Å; D185-S187 VanDerWaalsContact O-N 3.12Å; D185-S187 VanDerWaalsContact OD1-CB 3.29Å; D185-S187 WeakPolarHBondContact OD1-CB 3.34Å; D185-S187 PolarHBondContact OD1-N 2.81Å; D185-S187 PolarHBondContact OD1-OG 2.69Å; S187-V189 VanDerWaalsContact C-N 3.32Å; S187-V189 PolarHBondContact O-N 3.4Å; S187-Y190 PolarHBondContact O-N 3.29Å; S187-E191 WeakPolarHBondContact O-CG 3.37Å; S187-E191 PolarHBondContact O-N 3.48Å
188R94.4Very high82.5Confident163 Ų16367.2 Ų67.262%0.61535%0.35SS*.Hα-helixtrans-62.2-39.2174.8-71.1-177.7169.1-166.5-2.4112.2D185 E192D185-R188 HydrophobicContact CB-CB 4.43Å; D185-R188 HydrophobicContact CB-CG 4.21Å; D185-R188 PolarHBondContact O-N 3.49Å; D185-R188 VanDerWaalsContact O-N 3.12Å; R188-E192 PolarHBondContact O-N 3.48Å
189V96.1Very high84.4Confident0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-65.3-45175.8-172.60000110.4F167 Y171 T184 D185 P186 S187 Y193 L223 L226 L267F167-V189 HydrophobicContact CE1-CB 4.25Å; F167-V189 HydrophobicContact CE1-CG1 4.01Å; F167-V189 HydrophobicContact CZ-CG1 3.95Å; Y171-V189 HydrophobicContact CD2-CG1 4.16Å; Y171-V189 HydrophobicContact CE1-CG2 4.27Å; Y171-V189 HydrophobicContact CE2-CG1 4.1Å; Y171-V189 HydrophobicContact CE2-CG2 4.14Å; T184-V189 HydrophobicContact CG2-CG2 3.67Å; D185-V189 PolarHBondContact O-N 3.04Å; P186-V189 PolarHBondContact O-N 2.89Å; S187-V189 VanDerWaalsContact C-N 3.32Å; S187-V189 PolarHBondContact O-N 3.4Å; V189-Y193 WeakPolarHBondContact O-CB 3.43Å; V189-Y193 PolarHBondContact O-N 3.38Å; V189-L223 HydrophobicContact CG1-CD2 4.41Å; V189-L226 HydrophobicContact CG2-CB 4.3Å; V189-L267 HydrophobicContact CG1-CD2 4.01Å
190Y97.3Very high86.4Confident7 Ų756.7 Ų56.73%0.02730%0.303CS..Hα-helixtrans-60.3-47.6178.2175.5-111.6000112.4Q160 Y163 S164 F167 P186 S187 E192 Y193 K194Q160-Y190 PolarHBondContact OE1-OH 2.8Å; Y163-Y190 HydrophobicContact CD2-CE2 4.19Å; Y163-Y190 HydrophobicContact CG-CE2 4.21Å; S164-Y190 WeakPolarHBondContact OG-CD1 3.46Å; S164-Y190 WeakPolarHBondContact OG-CE1 3.37Å; F167-Y190 HydrophobicContact CB-CD2 3.71Å; F167-Y190 HydrophobicContact CB-CE2 4.14Å; F167-Y190 AromaticContact CD1-CD2 3.66Å; F167-Y190 HydrophobicContact CD1-CD2 3.66Å; F167-Y190 HydrophobicContact CD1-CG 4.08Å; F167-Y190 HydrophobicContact CD2-CD2 4.16Å; F167-Y190 VanDerWaalsContact CE1-CA 3.48Å; F167-Y190 HydrophobicContact CE1-CD2 4.34Å; F167-Y190 AromaticContact CG-CD2 3.57Å; F167-Y190 HydrophobicContact CG-CD2 3.57Å; F167-Y190 HydrophobicContact CG-CE2 4.37Å; F167-Y190 HydrophobicContact CG-CG 4.43Å; P186-Y190 WeakPolarHBondContact O-CB 3.33Å; P186-Y190 PolarHBondContact O-N 3.42Å; S187-Y190 PolarHBondContact O-N 3.29Å; Y190-E192 PolarHBondContact O-N 2.89Å; Y190-Y193 WeakPolarHBondContact O-CB 3.11Å; Y190-Y193 PolarHBondContact O-N 2.92Å; Y190-K194 HydrophobicContact CD1-CG 4.5Å; Y190-K194 HydrophobicContact CD2-CD 4.5Å; Y190-K194 HydrophobicContact CD2-CG 4.1Å; Y190-K194 HydrophobicContact CE1-CG 4.04Å; Y190-K194 HydrophobicContact CE2-CD 3.69Å; Y190-K194 HydrophobicContact CE2-CG 3.61Å; Y190-K194 WeakPolarHBondContact O-CG 3.32Å; Y190-K194 PolarHBondContact O-N 2.88Å
191E97.1Very high88.4Confident116 Ų11651.3 Ų51.354%0.54228%0.275SS..Hα-helixtrans-59.5-46.9-179.9-74.3172.1-169.400112.3S187 K194 K195S187-E191 WeakPolarHBondContact O-CG 3.37Å; S187-E191 PolarHBondContact O-N 3.48Å; E191-K194 PolarHBondContact O-N 2.78Å; E191-K195 WeakPolarHBondContact O-CG 3.42Å; E191-K195 PolarHBondContact O-N 3.27Å
192E97.9Very high90.6Very high9 Ų944.4 Ų44.44%0.04224%0.24CC..Hα-helixtrans-69.7-36.3176.9-68-57.6142.800112.1R188 Y190 K194 K195 L196 I219 K222 L223 L226R188-E192 PolarHBondContact O-N 3.48Å; Y190-E192 PolarHBondContact O-N 2.89Å; E192-K194 PolarHBondContact O-N 3.18Å; E192-K195 WeakPolarHBondContact O-CB 3.33Å; E192-K195 PolarHBondContact O-N 2.97Å; E192-K195 IonicContact OE1-NZ 2.83Å; E192-K195 PolarHBondContact OE1-NZ 3.37Å; E192-K195 IonicContact OE2-NZ 2.65Å; E192-L196 PolarHBondContact O-N 3.45Å; E192-L196 VanDerWaalsContact O-N 3.12Å; E192-I219 WeakPolarHBondContact O-CG2 3.49Å; E192-K222 VanDerWaalsContact CD-CD 3.46Å; E192-K222 HydrophobicContact CG-CD 3.73Å; E192-K222 HydrophobicContact CG-CG 4.06Å; E192-K222 WeakPolarHBondContact OE1-CE 3.33Å; E192-K222 IonicContact OE1-NZ 3.61Å; E192-K222 PolarHBondContact OE1-NZ 2.95Å; E192-L223 HydrophobicContact CB-CD2 3.72Å; E192-L223 HydrophobicContact CB-CG 3.95Å; E192-L226 HydrophobicContact CB-CD1 4.4Å; E192-L226 HydrophobicContact CG-CD1 4.16Å
193Y97.7Very high92.6Very high0 Ų037.7 Ų37.70%020%0.204CC..Hα-helixtrans-62-41.6175.2172.8-96.7000111.9Y163 F167 V189 Y190 K195 L196 E197 L267 W268 G272Y163-Y193 HydrophobicContact CE2-CE1 4.11Å; Y163-Y193 AromaticContact CZ-CE1 3.91Å; Y163-Y193 WeakPolarHBondContact OH-CE1 3.45Å; Y163-Y193 PolarHBondContact OH-OH 2.83Å; F167-Y193 AromaticContact CD2-CD1 3.66Å; F167-Y193 HydrophobicContact CD2-CD1 3.66Å; F167-Y193 AromaticContact CD2-CE1 3.78Å; F167-Y193 HydrophobicContact CD2-CE1 3.78Å; F167-Y193 HydrophobicContact CD2-CG 4.21Å; F167-Y193 AromaticContact CE2-CD1 3.23Å; F167-Y193 HydrophobicContact CE2-CD1 3.23Å; F167-Y193 AromaticContact CE2-CD2 3.78Å; F167-Y193 HydrophobicContact CE2-CD2 3.78Å; F167-Y193 AromaticContact CE2-CE1 3.61Å; F167-Y193 HydrophobicContact CE2-CE1 3.61Å; F167-Y193 HydrophobicContact CE2-CE2 4.13Å; F167-Y193 AromaticContact CE2-CG 3.32Å; F167-Y193 HydrophobicContact CE2-CG 3.32Å; F167-Y193 AromaticContact CZ-CD1 3.98Å; F167-Y193 HydrophobicContact CZ-CD1 3.98Å; F167-Y193 HydrophobicContact CZ-CD2 4.28Å; F167-Y193 AromaticContact CZ-CG 3.72Å; F167-Y193 HydrophobicContact CZ-CG 3.72Å; V189-Y193 WeakPolarHBondContact O-CB 3.43Å; V189-Y193 PolarHBondContact O-N 3.38Å; Y190-Y193 WeakPolarHBondContact O-CB 3.11Å; Y190-Y193 PolarHBondContact O-N 2.92Å; Y193-K195 VanDerWaalsContact C-N 3.27Å; Y193-K195 PolarHBondContact O-N 3.29Å; Y193-L196 WeakPolarHBondContact O-CB 3.45Å; Y193-L196 PolarHBondContact O-N 2.92Å; Y193-L196 VanDerWaalsContact O-N 3.13Å; Y193-E197 HydrophobicContact CD1-CG 4.14Å; Y193-E197 HydrophobicContact CE1-CG 3.56Å; Y193-E197 HydrophobicContact CE2-CG 4.29Å; Y193-E197 PolarHBondContact O-N 2.94Å; Y193-L267 HydrophobicContact CD2-CD2 4.01Å; Y193-L267 HydrophobicContact CD2-CG 4.32Å; Y193-W268 HydrophobicContact CE2-CB 4.16Å; Y193-G272 WeakPolarHBondContact OH-CA 3.31Å; Y193-G272 PolarHBondContact OH-N 3.44Å
194K97.3Very high93.9Very high49 Ų4935.9 Ų35.921%0.21319%0.191CC..Hα-helixtrans-61.8-33.7175.5-74.9-57-55.5175.10112.6Y163 Y190 E191 E192 E197 G198Y163-K194 HydrophobicContact CD1-CD 4.19Å; Y163-K194 HydrophobicContact CE1-CD 4.18Å; Y163-K194 VanDerWaalsContact CE1-NZ 3.32Å; Y190-K194 HydrophobicContact CD1-CG 4.5Å; Y190-K194 HydrophobicContact CD2-CD 4.5Å; Y190-K194 HydrophobicContact CD2-CG 4.1Å; Y190-K194 HydrophobicContact CE1-CG 4.04Å; Y190-K194 HydrophobicContact CE2-CD 3.69Å; Y190-K194 HydrophobicContact CE2-CG 3.61Å; Y190-K194 WeakPolarHBondContact O-CG 3.32Å; Y190-K194 PolarHBondContact O-N 2.88Å; E191-K194 PolarHBondContact O-N 2.78Å; E192-K194 PolarHBondContact O-N 3.18Å; K194-E197 IonicContact NZ-OE2 3.41Å; K194-E197 PolarHBondContact NZ-OE2 3.17Å; K194-E197 WeakPolarHBondContact O-CB 3.32Å; K194-G198 PolarHBondContact O-N 3.22Å; K194-G198 VanDerWaalsContact O-N 3.09Å
195K97.4Very high94.6Very high105 Ų10538.2 Ų38.246%0.45720%0.197SC..Hα-helixtrans-66.5-42.6172.9-62.4172-170.1171.40111.6E191 E192 Y193 G198 I219E191-K195 WeakPolarHBondContact O-CG 3.42Å; E191-K195 PolarHBondContact O-N 3.27Å; E192-K195 WeakPolarHBondContact O-CB 3.33Å; E192-K195 PolarHBondContact O-N 2.97Å; E192-K195 IonicContact OE1-NZ 2.83Å; E192-K195 PolarHBondContact OE1-NZ 3.37Å; E192-K195 IonicContact OE2-NZ 2.65Å; Y193-K195 VanDerWaalsContact C-N 3.27Å; Y193-K195 PolarHBondContact O-N 3.29Å; K195-G198 PolarHBondContact O-N 3.11Å; K195-I219 HydrophobicContact CB-CD1 3.69Å; K195-I219 HydrophobicContact CB-CG1 4Å; K195-I219 HydrophobicContact CB-CG2 4.15Å
196L96.4Very high94.8Very high0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-61.4-46.1175.8177.163000110.9F102 E192 Y193 G198 V199 L200 L203 I219 Q220 L223 L264F102-L196 HydrophobicContact CE1-CD2 4.3Å; E192-L196 PolarHBondContact O-N 3.45Å; E192-L196 VanDerWaalsContact O-N 3.12Å; Y193-L196 WeakPolarHBondContact O-CB 3.45Å; Y193-L196 PolarHBondContact O-N 2.92Å; Y193-L196 VanDerWaalsContact O-N 3.13Å; L196-G198 VanDerWaalsContact C-N 3.3Å; L196-G198 PolarHBondContact O-N 2.87Å; L196-V199 VanDerWaalsContact O-CG2 3.27Å; L196-V199 WeakPolarHBondContact O-CG2 3.24Å; L196-V199 PolarHBondContact O-N 3.36Å; L196-V199 VanDerWaalsContact O-N 3.14Å; L196-L200 PolarHBondContact O-N 3.38Å; L196-L203 HydrophobicContact CD1-CD1 4.08Å; L196-I219 HydrophobicContact CB-CG2 3.78Å; L196-Q220 HydrophobicContact CD1-CG 4.06Å; L196-L223 HydrophobicContact CB-CD1 3.88Å; L196-L223 HydrophobicContact CD2-CD1 3.79Å; L196-L223 HydrophobicContact CG-CD1 4.44Å; L196-L264 HydrophobicContact CD2-CD1 3.94Å; L196-L264 HydrophobicContact CD2-CD2 4.23Å; L196-L264 HydrophobicContact CD2-CG 4.32Å
197E93.9Very high94.7Very high3 Ų341.2 Ų41.21%0.01423%0.227CC..Hα-helixtrans-54.3-43.8175.5-88.4-115.2100.400112.9Y163 Y193 K194 V199 L200 R461 Q468Y163-E197 VanDerWaalsContact CE1-OE2 3.29Å; Y163-E197 WeakPolarHBondContact CE1-OE2 3.14Å; Y163-E197 VanDerWaalsContact OH-CD 3.26Å; Y163-E197 PolarHBondContact OH-OE2 3.36Å; Y193-E197 HydrophobicContact CD1-CG 4.14Å; Y193-E197 HydrophobicContact CE1-CG 3.56Å; Y193-E197 HydrophobicContact CE2-CG 4.29Å; Y193-E197 PolarHBondContact O-N 2.94Å; K194-E197 IonicContact NZ-OE2 3.41Å; K194-E197 PolarHBondContact NZ-OE2 3.17Å; K194-E197 WeakPolarHBondContact O-CB 3.32Å; E197-V199 PolarHBondContact O-N 2.9Å; E197-L200 WeakPolarHBondContact O-CB 3.34Å; E197-L200 PolarHBondContact O-N 2.88Å; E197-R461 PolarHBondContact O-NH2 3.3Å; E197-R461 VanDerWaalsContact O-NH2 3.12Å; E197-R461 IonicContact OE1-CZ 2.68Å; E197-R461 IonicContact OE1-NH1 2.69Å; E197-R461 PolarHBondContact OE1-NH1 2.82Å; E197-R461 IonicContact OE1-NH2 3.33Å; E197-R461 PolarHBondContact OE1-NH2 3.18Å; E197-R461 IonicContact OE2-NH2 3.67Å; E197-Q468 VanDerWaalsContact CD-NE2 3.35Å; E197-Q468 PolarHBondContact OE1-NE2 2.95Å; E197-Q468 PolarHBondContact OE2-NE2 3Å; E197-Q468 PolarHBondContact OE2-OE1 2.96Å
198G94.1Very high94.6Very high64 Ų6440.2 Ų40.266%0.6622%0.219SC*.Hα-helixtrans-60.5-24.7179.300000114.3K194 K195 L196K194-G198 PolarHBondContact O-N 3.22Å; K194-G198 VanDerWaalsContact O-N 3.09Å; K195-G198 PolarHBondContact O-N 3.11Å; L196-G198 VanDerWaalsContact C-N 3.3Å; L196-G198 PolarHBondContact O-N 2.87Å
199V95.1Very high94.5Very high28 Ų2841.8 Ų41.817%0.1723%0.225CC..Hα-helixtrans-107.9-3.4178.7-61.40000113.7L196 E197 C201 S202 L203 L208 A216L196-V199 VanDerWaalsContact O-CG2 3.27Å; L196-V199 WeakPolarHBondContact O-CG2 3.24Å; L196-V199 PolarHBondContact O-N 3.36Å; L196-V199 VanDerWaalsContact O-N 3.14Å; E197-V199 PolarHBondContact O-N 2.9Å; V199-C201 PolarHBondContact O-N 3.4Å; V199-S202 PolarHBondContact O-N 3.43Å; V199-S202 VanDerWaalsContact O-N 3.16Å; V199-L203 HydrophobicContact CG2-CD1 3.99Å; V199-L203 HydrophobicContact CG2-CG 4.5Å; V199-L203 PolarHBondContact O-N 3.22Å; V199-L208 HydrophobicContact CB-CD1 4.47Å; V199-L208 HydrophobicContact CB-CD2 4.48Å; V199-A216 HydrophobicContact CG2-CB 4.11Å
200L94.5Very high94.3Very high0 Ų049.2 Ų49.20%026%0.257CS..Hα-helixtrans-60.1-48.1-169.8-174.5145.2000113.2I101 L196 E197 S202 L203 A204 W268 F464I101-L200 HydrophobicContact CD1-CD2 4.34Å; I101-L200 HydrophobicContact CG2-CD1 4.11Å; I101-L200 HydrophobicContact CG2-CG 3.9Å; L196-L200 PolarHBondContact O-N 3.38Å; E197-L200 WeakPolarHBondContact O-CB 3.34Å; E197-L200 PolarHBondContact O-N 2.88Å; L200-S202 VanDerWaalsContact C-N 3.26Å; L200-S202 PolarHBondContact O-N 3.45Å; L200-L203 WeakPolarHBondContact O-CB 3.4Å; L200-L203 PolarHBondContact O-N 2.95Å; L200-A204 PolarHBondContact O-N 3.35Å; L200-W268 HydrophobicContact CD1-CD2 4.25Å; L200-W268 HydrophobicContact CD1-CG 4.03Å; L200-W268 HydrophobicContact CD1-CZ2 4.47Å; L200-F464 HydrophobicContact CD2-CD1 3.71Å; L200-F464 HydrophobicContact CD2-CE1 3.91Å; L200-F464 HydrophobicContact CD2-CG 4.38Å
201C93.2Very high94.1Very high6 Ų656.1 Ų56.14%0.04129%0.29CS..Hα-helixtrans-66.3-32.7-179.1-62.90000111.6V199 R205 F464V199-C201 PolarHBondContact O-N 3.4Å; C201-R205 WeakPolarHBondContact O-CB 3.43Å; C201-R205 WeakPolarHBondContact O-CG 3.27Å; C201-R205 PolarHBondContact O-N 3.04Å; C201-R205 VanDerWaalsContact O-N 3.07Å; C201-R205 PolarHBondContact O-NE 3.12Å; C201-F464 HydrophobicContact CB-CE2 4.08Å; C201-F464 HydrophobicContact CB-CZ 4.4Å
202S93.4Very high93.9Very high33 Ų3354.7 Ų54.723%0.23128%0.283CS..Hα-helixtrans-73.8-34.9175.2-63.50000112.7V199 L200 G206 T207V199-S202 PolarHBondContact O-N 3.43Å; V199-S202 VanDerWaalsContact O-N 3.16Å; L200-S202 VanDerWaalsContact C-N 3.26Å; L200-S202 PolarHBondContact O-N 3.45Å; S202-G206 PolarHBondContact O-N 3.48Å; S202-T207 PolarHBondContact O-N 2.98Å; S202-T207 PolarHBondContact O-OG1 3.28Å
203L94.8Very high93.7Very high23 Ų2359.3 Ų59.312%0.1230%0.303CS..Hα-helixtrans-60.1-50.8169.1-75.9167000110.8I101 L196 V199 L200 R205 G206 L208 A216I101-L203 HydrophobicContact CG1-CB 4.48Å; L196-L203 HydrophobicContact CD1-CD1 4.08Å; V199-L203 HydrophobicContact CG2-CD1 3.99Å; V199-L203 HydrophobicContact CG2-CG 4.5Å; V199-L203 PolarHBondContact O-N 3.22Å; L200-L203 WeakPolarHBondContact O-CB 3.4Å; L200-L203 PolarHBondContact O-N 2.95Å; L203-R205 VanDerWaalsContact C-N 3.3Å; L203-R205 PolarHBondContact O-N 3.4Å; L203-G206 PolarHBondContact O-N 2.74Å; L203-L208 HydrophobicContact CD2-CD1 3.54Å; L203-L208 HydrophobicContact CG-CD1 3.77Å; L203-A216 HydrophobicContact CD1-CB 4.38Å; L203-A216 HydrophobicContact CD2-CB 4.07Å
204A93.2Very high93.5Very high5 Ų566.6 Ų66.64%0.04133%0.33CS..Hα-helixtrans-58.3-40.9179.700000113L97 R100 I101 L200 G206 F464L97-A204 HydrophobicContact CD2-CB 4.15Å; R100-A204 WeakPolarHBondContact CD-O 3.5Å; R100-A204 PolarHBondContact NH1-O 2.73Å; R100-A204 VanDerWaalsContact NH1-O 3.14Å; I101-A204 HydrophobicContact CD1-CB 3.75Å; I101-A204 HydrophobicContact CG1-CB 3.82Å; L200-A204 PolarHBondContact O-N 3.35Å; A204-G206 VanDerWaalsContact C-N 3.35Å; A204-F464 HydrophobicContact CB-CE1 3.56Å; A204-F464 HydrophobicContact CB-CZ 3.48Å; A204-F464 VanDerWaalsContact CB-CZ 3.48Å
205R90.8Very high93.4Very high84 Ų8468.1 Ų68.132%0.31734%0.344SS..Hα-helixtrans-79.8-13.7177-69.2-175.6-70.4-102.71.2113.7C201 L203 T207 S460C201-R205 WeakPolarHBondContact O-CB 3.43Å; C201-R205 WeakPolarHBondContact O-CG 3.27Å; C201-R205 PolarHBondContact O-N 3.04Å; C201-R205 VanDerWaalsContact O-N 3.07Å; C201-R205 PolarHBondContact O-NE 3.12Å; L203-R205 VanDerWaalsContact C-N 3.3Å; L203-R205 PolarHBondContact O-N 3.4Å; R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 HydrophobicContact CB-CG2 3.81Å; R205-S460 PolarHBondContact NH1-O 3.2Å
206G90.2Very high93.3Very high49 Ų4963.1 Ų63.151%0.50532%0.323SS..THydrogen-bonded Turntrans6925.6-176.600000113.9S202 L203 A204S202-G206 PolarHBondContact O-N 3.48Å; L203-G206 PolarHBondContact O-N 2.74Å; A204-G206 VanDerWaalsContact C-N 3.35Å
207T90.8Very high93.3Very high87 Ų8767.9 Ų67.953%0.53435%0.345SS..  trans-95.6-2.6-171.753.20000114.4S202 R205S202-T207 PolarHBondContact O-N 2.98Å; S202-T207 PolarHBondContact O-OG1 3.28Å; R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 HydrophobicContact CB-CG2 3.81Å
208L91.4Very high93.4Very high14 Ų1471.1 Ų71.17%0.07337%0.368CS..  trans-65.1138.4179.3-68.1-175.6000112.6V199 L203 E212 K213 A216V199-L208 HydrophobicContact CB-CD1 4.47Å; V199-L208 HydrophobicContact CB-CD2 4.48Å; L203-L208 HydrophobicContact CD2-CD1 3.54Å; L203-L208 HydrophobicContact CG-CD1 3.77Å; L208-E212 WeakPolarHBondContact CA-OE2 3.4Å; L208-E212 HydrophobicContact CB-CB 4.14Å; L208-E212 HydrophobicContact CD2-CB 3.86Å; L208-E212 HydrophobicContact CG-CB 4.41Å; L208-K213 HydrophobicContact CB-CG 3.73Å; L208-K213 HydrophobicContact CD1-CG 4.46Å; L208-K213 VanDerWaalsContact O-CE 3.23Å; L208-K213 WeakPolarHBondContact O-CE 3.22Å; L208-A216 HydrophobicContact CD1-CB 4.04Å
209R92.8Very high93.6Very high195 Ų19568.7 Ų68.774%0.73634%0.34SS*.  trans-71.1167.5169.3-60.7179.7178.9-171.91110.8E211 E212 K213R209-E211 VanDerWaalsContact C-N 3.34Å; R209-E211 PolarHBondContact O-N 2.93Å; R209-E212 HydrophobicContact CB-CG 4.29Å; R209-E212 WeakPolarHBondContact CB-OE2 3.04Å; R209-E212 PolarHBondContact N-OE2 3.43Å; R209-E212 PolarHBondContact O-N 3.48Å; R209-K213 WeakPolarHBondContact O-CG 3.25Å; R209-K213 PolarHBondContact O-N 2.93Å
210K91.9Very high93.7Very high157 Ų15767.5 Ų67.568%0.68333%0.332SS*.Hα-helixtrans-58.1-42.4-175-171.4178-179.4179.60113.1R214K210-R214 PolarHBondContact O-N 2.87Å
211E91.9Very high93.8Very high152 Ų15274.1 Ų74.171%0.7136%0.357SS*.Hα-helixtrans-68.8-46178.3-69.2173.4-176.700111.5R209 K213 R214 T215R209-E211 VanDerWaalsContact C-N 3.34Å; R209-E211 PolarHBondContact O-N 2.93Å; E211-K213 VanDerWaalsContact C-N 3.26Å; E211-K213 PolarHBondContact O-N 3.4Å; E211-R214 WeakPolarHBondContact O-CA 3.29Å; E211-R214 WeakPolarHBondContact O-CB 3.48Å; E211-R214 PolarHBondContact O-N 3.07Å; E211-T215 PolarHBondContact O-N 3.14Å; E211-T215 PolarHBondContact O-OG1 3.37Å
212E92.9Very high94Very high85 Ų8578.2 Ų78.240%0.39737%0.374SS..Hα-helixtrans-61.8-35177.3-55.6170.9139.800112L208 R209 T215 A216L208-E212 WeakPolarHBondContact CA-OE2 3.4Å; L208-E212 HydrophobicContact CB-CB 4.14Å; L208-E212 HydrophobicContact CD2-CB 3.86Å; L208-E212 HydrophobicContact CG-CB 4.41Å; R209-E212 HydrophobicContact CB-CG 4.29Å; R209-E212 WeakPolarHBondContact CB-OE2 3.04Å; R209-E212 PolarHBondContact N-OE2 3.43Å; R209-E212 PolarHBondContact O-N 3.48Å; E212-T215 PolarHBondContact O-N 3.43Å; E212-A216 WeakPolarHBondContact O-CB 3.2Å; E212-A216 PolarHBondContact O-N 2.93Å
213K93.7Very high94.1Very high107 Ų10776.7 Ų76.747%0.46536%0.363SS..Hα-helixtrans-61.6-41.9171.7-76.3178.1177173.80112L208 R209 E211 A216 Q217L208-K213 HydrophobicContact CB-CG 3.73Å; L208-K213 HydrophobicContact CD1-CG 4.46Å; L208-K213 VanDerWaalsContact O-CE 3.23Å; L208-K213 WeakPolarHBondContact O-CE 3.22Å; R209-K213 WeakPolarHBondContact O-CG 3.25Å; R209-K213 PolarHBondContact O-N 2.93Å; E211-K213 VanDerWaalsContact C-N 3.26Å; E211-K213 PolarHBondContact O-N 3.4Å; K213-A216 PolarHBondContact O-N 3.32Å; K213-Q217 WeakPolarHBondContact O-CB 3.38Å; K213-Q217 VanDerWaalsContact O-CG 3.29Å; K213-Q217 WeakPolarHBondContact O-CG 3.49Å; K213-Q217 PolarHBondContact O-N 3.47Å
214R94.4Very high94.1Very high152 Ų15277.7 Ų77.757%0.57437%0.366SS*.Hα-helixtrans-64.9-42.9176-69.9173.5174.4177.9-5.4110.9K210 E211 Q217 S218K210-R214 PolarHBondContact O-N 2.87Å; E211-R214 WeakPolarHBondContact O-CA 3.29Å; E211-R214 WeakPolarHBondContact O-CB 3.48Å; E211-R214 PolarHBondContact O-N 3.07Å; R214-Q217 PolarHBondContact O-N 3.47Å; R214-S218 PolarHBondContact O-N 2.95Å
215T95.1Very high94.1Very high81 Ų8183.4 Ų83.450%0.49739%0.392SS..Hα-helixtrans-60.7-47.3175.3-55.70000111.2E211 E212 Q217 S218 I219E211-T215 PolarHBondContact O-N 3.14Å; E211-T215 PolarHBondContact O-OG1 3.37Å; E212-T215 PolarHBondContact O-N 3.43Å; T215-Q217 VanDerWaalsContact C-N 3.35Å; T215-Q217 PolarHBondContact O-N 3.18Å; T215-S218 WeakPolarHBondContact O-CB 3.45Å; T215-S218 PolarHBondContact O-N 3.09Å; T215-S218 VanDerWaalsContact O-N 3.15Å; T215-I219 HydrophobicContact CG2-CD1 3.95Å; T215-I219 WeakPolarHBondContact O-CD1 3.43Å; T215-I219 VanDerWaalsContact O-CG1 3.32Å; T215-I219 WeakPolarHBondContact O-CG1 3.43Å; T215-I219 PolarHBondContact O-N 3.46Å
216A95.6Very high94.2Very high1 Ų180.7 Ų80.71%0.00838%0.383CS..Hα-helixtrans-59.3-43.1176.800000112.3V199 L203 L208 E212 K213 S218 I219 Q220V199-A216 HydrophobicContact CG2-CB 4.11Å; L203-A216 HydrophobicContact CD1-CB 4.38Å; L203-A216 HydrophobicContact CD2-CB 4.07Å; L208-A216 HydrophobicContact CD1-CB 4.04Å; E212-A216 WeakPolarHBondContact O-CB 3.2Å; E212-A216 PolarHBondContact O-N 2.93Å; K213-A216 PolarHBondContact O-N 3.32Å; A216-S218 VanDerWaalsContact C-N 3.35Å; A216-S218 PolarHBondContact O-N 3.19Å; A216-I219 PolarHBondContact O-N 3.47Å; A216-Q220 VanDerWaalsContact O-CG 3.32Å; A216-Q220 WeakPolarHBondContact O-CG 3.35Å; A216-Q220 PolarHBondContact O-N 2.91Å
217Q95.5Very high94.4Very high100 Ų10078.5 Ų78.547%0.46736%0.36SS..Hα-helixtrans-63.3-39.1175-74.4172.5-1500112.5K213 R214 T215 Q220 R221K213-Q217 WeakPolarHBondContact O-CB 3.38Å; K213-Q217 VanDerWaalsContact O-CG 3.29Å; K213-Q217 WeakPolarHBondContact O-CG 3.49Å; K213-Q217 PolarHBondContact O-N 3.47Å; R214-Q217 PolarHBondContact O-N 3.47Å; T215-Q217 VanDerWaalsContact C-N 3.35Å; T215-Q217 PolarHBondContact O-N 3.18Å; Q217-Q220 PolarHBondContact O-N 3.38Å; Q217-R221 WeakPolarHBondContact O-CB 3.36Å; Q217-R221 PolarHBondContact O-N 2.86Å
218S97.1Very high94.3Very high71 Ų7176.2 Ų76.250%0.49735%0.35SS..Hα-helixtrans-64.3-42.8175.6-170.10000111.8R214 T215 A216 R221 K222R214-S218 PolarHBondContact O-N 2.95Å; T215-S218 WeakPolarHBondContact O-CB 3.45Å; T215-S218 PolarHBondContact O-N 3.09Å; T215-S218 VanDerWaalsContact O-N 3.15Å; A216-S218 VanDerWaalsContact C-N 3.35Å; A216-S218 PolarHBondContact O-N 3.19Å; S218-R221 PolarHBondContact O-N 3.37Å; S218-K222 PolarHBondContact O-N 3.26Å; S218-K222 VanDerWaalsContact O-N 3.09Å
219I97.6Very high94.1Very high13 Ų1378.8 Ų78.87%0.06737%0.367CS..Hα-helixtrans-61.7-48.6176.3-67.1158.5000110.2E192 K195 L196 T215 A216 R221 K222 L223E192-I219 WeakPolarHBondContact O-CG2 3.49Å; K195-I219 HydrophobicContact CB-CD1 3.69Å; K195-I219 HydrophobicContact CB-CG1 4Å; K195-I219 HydrophobicContact CB-CG2 4.15Å; L196-I219 HydrophobicContact CB-CG2 3.78Å; T215-I219 HydrophobicContact CG2-CD1 3.95Å; T215-I219 WeakPolarHBondContact O-CD1 3.43Å; T215-I219 VanDerWaalsContact O-CG1 3.32Å; T215-I219 WeakPolarHBondContact O-CG1 3.43Å; T215-I219 PolarHBondContact O-N 3.46Å; A216-I219 PolarHBondContact O-N 3.47Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.24Å; I219-K222 PolarHBondContact O-N 3.23Å; I219-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 PolarHBondContact O-N 2.93Å
220Q97.2Very high93.9Very high2 Ų269.7 Ų69.71%0.00933%0.334CS..Hα-helixtrans-58.4-44.5178.2-74.2174.5-36.700111.9I101 N103 L196 A216 Q217 L223 W224 L264I101-Q220 PolarHBondContact O-NE2 2.91Å; N103-Q220 PolarHBondContact ND2-OE1 2.75Å; L196-Q220 HydrophobicContact CD1-CG 4.06Å; A216-Q220 VanDerWaalsContact O-CG 3.32Å; A216-Q220 WeakPolarHBondContact O-CG 3.35Å; A216-Q220 PolarHBondContact O-N 2.91Å; Q217-Q220 PolarHBondContact O-N 3.38Å; Q220-L223 PolarHBondContact O-N 3.42Å; Q220-W224 HydrophobicContact CB-CH2 4.21Å; Q220-W224 HydrophobicContact CB-CZ2 3.77Å; Q220-W224 VanDerWaalsContact O-CD2 3.29Å; Q220-W224 PolarHBondContact O-N 3.12Å; Q220-L264 HydrophobicContact CB-CD2 4.4Å; Q220-L264 HydrophobicContact CG-CD2 4.29Å
221R96.6Very high93.6Very high139 Ų13962.4 Ų62.453%0.52530%0.303SS..Hα-helixtrans-60.5-47.4178.2-169.1-173.3-52.21635.5112.2Q217 S218 I219 L223 W224 E225Q217-R221 WeakPolarHBondContact O-CB 3.36Å; Q217-R221 PolarHBondContact O-N 2.86Å; S218-R221 PolarHBondContact O-N 3.37Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.24Å; R221-L223 VanDerWaalsContact C-N 3.28Å; R221-L223 PolarHBondContact O-N 3.12Å; R221-W224 HydrophobicContact CB-CE3 4.24Å; R221-W224 HydrophobicContact CB-CZ3 4.47Å; R221-W224 HydrophobicContact CG-CE3 4.41Å; R221-W224 WeakPolarHBondContact O-CB 3.4Å; R221-W224 PolarHBondContact O-N 2.87Å; R221-W224 VanDerWaalsContact O-N 3.09Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 3.2Å
222K96.6Very high93.3Very high93 Ų9359.1 Ų59.140%0.40429%0.29SS..Hα-helixtrans-61.8-38.2177.7-172.3167.7171.7-168.40111.7E192 S218 I219 E225 L226E192-K222 VanDerWaalsContact CD-CD 3.46Å; E192-K222 HydrophobicContact CG-CD 3.73Å; E192-K222 HydrophobicContact CG-CG 4.06Å; E192-K222 WeakPolarHBondContact OE1-CE 3.33Å; E192-K222 IonicContact OE1-NZ 3.61Å; E192-K222 PolarHBondContact OE1-NZ 2.95Å; S218-K222 PolarHBondContact O-N 3.26Å; S218-K222 VanDerWaalsContact O-N 3.09Å; I219-K222 PolarHBondContact O-N 3.23Å; K222-E225 PolarHBondContact O-N 2.73Å; K222-L226 HydrophobicContact CG-CD1 4.24Å; K222-L226 WeakPolarHBondContact O-CB 3.36Å; K222-L226 VanDerWaalsContact O-CG 3.24Å; K222-L226 WeakPolarHBondContact O-CG 3.29Å; K222-L226 PolarHBondContact O-N 3.14Å
223L96.9Very high92.8Very high0 Ų058.9 Ų58.90%030%0.295CS..Hα-helixtrans-67.6-36.6173.6-74.8166.7000112.7V189 E192 L196 I219 Q220 R221 E225 L226 L227 L264V189-L223 HydrophobicContact CG1-CD2 4.41Å; E192-L223 HydrophobicContact CB-CD2 3.72Å; E192-L223 HydrophobicContact CB-CG 3.95Å; L196-L223 HydrophobicContact CB-CD1 3.88Å; L196-L223 HydrophobicContact CD2-CD1 3.79Å; L196-L223 HydrophobicContact CG-CD1 4.44Å; I219-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 PolarHBondContact O-N 2.93Å; Q220-L223 PolarHBondContact O-N 3.42Å; R221-L223 VanDerWaalsContact C-N 3.28Å; R221-L223 PolarHBondContact O-N 3.12Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-L226 PolarHBondContact O-N 3.15Å; L223-L227 VanDerWaalsContact O-CB 3.27Å; L223-L227 WeakPolarHBondContact O-CB 3.44Å; L223-L227 WeakPolarHBondContact O-CD1 3.43Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 2.94Å; L223-L264 HydrophobicContact CB-CD1 3.86Å; L223-L264 HydrophobicContact CB-CD2 4.29Å; L223-L264 HydrophobicContact CD1-CD1 3.86Å; L223-L264 HydrophobicContact CG-CD1 4.35Å
224W95.1Very high91.9Very high44 Ų4462.1 Ų62.117%0.16731%0.311CS..Hα-helixtrans-62.4-42.5173.4-58.8-30.1000111.7Q220 R221 L227 A228 R261 L264Q220-W224 HydrophobicContact CB-CH2 4.21Å; Q220-W224 HydrophobicContact CB-CZ2 3.77Å; Q220-W224 VanDerWaalsContact O-CD2 3.29Å; Q220-W224 PolarHBondContact O-N 3.12Å; R221-W224 HydrophobicContact CB-CE3 4.24Å; R221-W224 HydrophobicContact CB-CZ3 4.47Å; R221-W224 HydrophobicContact CG-CE3 4.41Å; R221-W224 WeakPolarHBondContact O-CB 3.4Å; R221-W224 PolarHBondContact O-N 2.87Å; R221-W224 VanDerWaalsContact O-N 3.09Å; W224-L227 CarbonylContact O-C 3.51Å; W224-L227 PolarHBondContact O-N 3.08Å; W224-A228 WeakPolarHBondContact O-CB 3.44Å; W224-A228 PolarHBondContact O-N 2.72Å; W224-R261 HydrophobicContact CD2-CG 4.48Å; W224-R261 HydrophobicContact CH2-CG 4.39Å; W224-R261 HydrophobicContact CZ2-CG 3.67Å; W224-L264 VanDerWaalsContact NE1-CD2 3.32Å
225E92.9Very high90.8Very high126 Ų12663.7 Ų63.759%0.58933%0.325SS*.Hα-helixtrans-62.4-47.3176-69.7165.4-167.400111.5R221 K222 L223 L227 A228R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 3.2Å; K222-E225 PolarHBondContact O-N 2.73Å; L223-E225 VanDerWaalsContact C-N 3.34Å; E225-L227 VanDerWaalsContact C-N 3.26Å; E225-L227 PolarHBondContact O-N 2.95Å; E225-A228 WeakPolarHBondContact O-CB 3.49Å; E225-A228 PolarHBondContact O-N 3.3Å
226L92.9Very high89.6Confident27 Ų2761 Ų6114%0.14131%0.31CS..Hα-helixtrans-64.2-29.1177.9-70.2169.6000113.1T184 V189 E192 K222 L223T184-L226 HydrophobicContact CG2-CB 4.2Å; T184-L226 HydrophobicContact CG2-CD2 3.61Å; T184-L226 HydrophobicContact CG2-CG 4.5Å; T184-L226 PolarHBondContact OG1-O 3.48Å; V189-L226 HydrophobicContact CG2-CB 4.3Å; E192-L226 HydrophobicContact CB-CD1 4.4Å; E192-L226 HydrophobicContact CG-CD1 4.16Å; K222-L226 HydrophobicContact CG-CD1 4.24Å; K222-L226 WeakPolarHBondContact O-CB 3.36Å; K222-L226 VanDerWaalsContact O-CG 3.24Å; K222-L226 WeakPolarHBondContact O-CG 3.29Å; K222-L226 PolarHBondContact O-N 3.14Å; L223-L226 PolarHBondContact O-N 3.15Å
227L92.7Very high88.9Confident2 Ų262.8 Ų62.81%0.0133%0.328CS..Hα-helixtrans-96.3-4.8-179.7-65.6171.2000113.5Y171 F175 L223 W224 E225 P229 A230 V263 L264 L267Y171-L227 HydrophobicContact CE2-CD2 3.81Å; F175-L227 HydrophobicContact CD1-CD2 4.35Å; L223-L227 VanDerWaalsContact O-CB 3.27Å; L223-L227 WeakPolarHBondContact O-CB 3.44Å; L223-L227 WeakPolarHBondContact O-CD1 3.43Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 2.94Å; W224-L227 CarbonylContact O-C 3.51Å; W224-L227 PolarHBondContact O-N 3.08Å; E225-L227 VanDerWaalsContact C-N 3.26Å; E225-L227 PolarHBondContact O-N 2.95Å; L227-P229 VanDerWaalsContact C-CD 3.48Å; L227-P229 VanDerWaalsContact C-N 3.35Å; L227-A230 WeakPolarHBondContact O-CB 3.26Å; L227-A230 PolarHBondContact O-N 2.85Å; L227-A230 VanDerWaalsContact O-N 3.07Å; L227-V263 HydrophobicContact CB-CG1 4.15Å; L227-V263 HydrophobicContact CD1-CG1 4.4Å; L227-L264 HydrophobicContact CD1-CB 4.13Å; L227-L264 HydrophobicContact CD1-CD1 3.98Å; L227-L267 HydrophobicContact CD1-CB 4.33Å; L227-L267 HydrophobicContact CD1-CD2 3.88Å; L227-L267 HydrophobicContact CD2-CD2 4.24Å
228A89.3Confident88.6Confident40 Ų4058.5 Ų58.533%0.33131%0.31SS..THydrogen-bonded Turntrans-53.6-45.8-175.100000112.3W224 E225 A230 L232 R246W224-A228 WeakPolarHBondContact O-CB 3.44Å; W224-A228 PolarHBondContact O-N 2.72Å; E225-A228 WeakPolarHBondContact O-CB 3.49Å; E225-A228 PolarHBondContact O-N 3.3Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A228-A230 PolarHBondContact O-N 3.41Å; A228-L232 WeakPolarHBondContact O-CD1 3.3Å; A228-L232 VanDerWaalsContact O-CG 3.29Å; A228-L232 WeakPolarHBondContact O-CG 3.26Å; A228-R246 PolarHBondContact O-NH2 3.01Å
229P87.3Confident88.4Confident67 Ų6755.5 Ų55.544%0.43529%0.288SS..THydrogen-bonded Turntrans-68.2-26.5-179.6-19.934000114.4L227 G231 L232 S236L227-P229 VanDerWaalsContact C-CD 3.48Å; L227-P229 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 3.02Å; P229-G231 VanDerWaalsContact O-N 3.13Å; P229-L232 PolarHBondContact O-N 3.14Å; P229-S236 WeakPolarHBondContact O-CB 3.39Å
230A89.3Confident88.1Confident4 Ų459.1 Ų59.13%0.03331%0.313CS..THydrogen-bonded Turntrans-63.9116.1-167.400000111.1F175 L227 A228 L242 R246F175-A230 HydrophobicContact CB-CB 4.09Å; F175-A230 HydrophobicContact CD1-CB 4.24Å; L227-A230 WeakPolarHBondContact O-CB 3.26Å; L227-A230 PolarHBondContact O-N 2.85Å; L227-A230 VanDerWaalsContact O-N 3.07Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A228-A230 PolarHBondContact O-N 3.41Å; A230-L242 HydrophobicContact CB-CD2 3.82Å; A230-R246 PolarHBondContact O-NE 2.79Å; A230-R246 PolarHBondContact O-NH2 2.6Å
231G85.9Confident88Confident4 Ų459.1 Ų59.14%0.04131%0.313CS..THydrogen-bonded Turntrans84.30.7175.300000115.1P229 S236 S238 H243 R246P229-G231 PolarHBondContact O-N 3.02Å; P229-G231 VanDerWaalsContact O-N 3.13Å; G231-S236 PolarHBondContact N-OG 2.79Å; G231-S238 PolarHBondContact N-OG 3.26Å; G231-H243 PolarHBondContact O-ND1 3.15Å; G231-R246 VanDerWaalsContact C-CD 3.47Å; G231-R246 VanDerWaalsContact O-CD 3.29Å; G231-R246 WeakPolarHBondContact O-CD 3.39Å
232L84.7Confident88Confident84 Ų8452.5 Ų52.544%0.4429%0.288SS..THydrogen-bonded Turntrans-70.6-43.5-176.3-77.1-178.6000113.1A228 P229A228-L232 WeakPolarHBondContact O-CD1 3.3Å; A228-L232 VanDerWaalsContact O-CG 3.29Å; A228-L232 WeakPolarHBondContact O-CG 3.26Å; P229-L232 PolarHBondContact O-N 3.14Å
233T82.4Confident87.8Confident80 Ų8049.7 Ų49.749%0.49128%0.276SS..SBendtrans-130.6155.7-177.663.20000110.1E235 S236 H243T233-E235 PolarHBondContact O-N 3.37Å; T233-E235 VanDerWaalsContact O-N 3.14Å; T233-S236 VanDerWaalsContact O-CB 3.3Å; T233-S236 WeakPolarHBondContact O-CB 3.24Å; T233-S236 PolarHBondContact O-N 2.99Å; T233-S236 PolarHBondContact O-OG 3.47Å; T233-S236 PolarHBondContact OG1-N 3.01Å; T233-H243 PolarHBondContact O-CE1 2.89Å
234E75.2Confident87.7Confident174 Ų17450.7 Ų50.781%0.81328%0.284SS*.G310 helixtrans-59.8-25.1176-62.7-168.8163.300112.3S236E234-S236 VanDerWaalsContact C-N 3.3Å; E234-S236 PolarHBondContact O-N 3.45Å
235E71.8Confident87.7Confident185 Ų18548.9 Ų48.986%0.86428%0.277SS*.G310 helixtrans-76.9-10.3176.2-61.5178.517800114.1T233 G237T233-E235 PolarHBondContact O-N 3.37Å; T233-E235 VanDerWaalsContact O-N 3.14Å; E235-G237 PolarHBondContact O-N 3.12Å; E235-G237 VanDerWaalsContact O-N 3.11Å
236S68.6Low87.7Confident25 Ų2543.2 Ų43.218%0.17525%0.25CS..G310 helixtrans-68.2-7.1179.364.50000114P229 G231 T233 E234 S238 H243P229-S236 WeakPolarHBondContact O-CB 3.39Å; G231-S236 PolarHBondContact N-OG 2.79Å; T233-S236 VanDerWaalsContact O-CB 3.3Å; T233-S236 WeakPolarHBondContact O-CB 3.24Å; T233-S236 PolarHBondContact O-N 2.99Å; T233-S236 PolarHBondContact O-OG 3.47Å; T233-S236 PolarHBondContact OG1-N 3.01Å; E234-S236 VanDerWaalsContact C-N 3.3Å; E234-S236 PolarHBondContact O-N 3.45Å; S236-S238 PolarHBondContact O-N 2.97Å; S236-S238 VanDerWaalsContact O-N 3.13Å; S236-S238 PolarHBondContact OG-OG 3.41Å; S236-H243 PolarHBondContact OG-CE1 3.45Å
237G80.9Confident87.7Confident38 Ų3849 Ų4939%0.39227%0.27SS..  trans71.11.4179.600000114.5G177 E235G177-G237 VanDerWaalsContact CA-C 3.46Å; G177-G237 WeakPolarHBondContact CA-O 3.36Å; G177-G237 PolarHBondContact N-O 2.98Å; E235-G237 PolarHBondContact O-N 3.12Å; E235-G237 VanDerWaalsContact O-N 3.11Å
238S88.8Confident87.7Confident11 Ų1149.3 Ų49.38%0.07727%0.272CS..  trans-64.7160.3177.3-58.40000113.1F175 G231 S236 H243F175-S238 PolarHBondContact O-OG 3.02Å; G231-S238 PolarHBondContact N-OG 3.26Å; S236-S238 PolarHBondContact O-N 2.97Å; S236-S238 VanDerWaalsContact O-N 3.13Å; S236-S238 PolarHBondContact OG-OG 3.41Å; S238-H243 PolarHBondContact O-NE2 3.37Å
239S92.9Very high87.8Confident7 Ų747.4 Ų47.45%0.04926%0.256CS..  trans-65.4152.3176.364.20000112.2L174 W241 L242 H243L174-S239 PolarHBondContact O-N 2.93Å; L174-S239 PolarHBondContact O-OG 2.86Å; S239-W241 PolarHBondContact O-N 3.13Å; S239-L242 PolarHBondContact O-N 2.8Å; S239-L242 PolarHBondContact OG-N 3.21Å; S239-H243 PolarHBondContact O-CD2 3.16Å; S239-H243 PolarHBondContact O-N 3.15Å
240P93Very high88.1Confident89 Ų8949.6 Ų49.658%0.57826%0.259SS*.Hα-helixtrans-54.1-29172.4-28.335.7000113.8A244P240-A244 WeakPolarHBondContact O-CB 3.42Å; P240-A244 PolarHBondContact O-N 3.17Å
241W95.1Very high88.2Confident3 Ų355 Ų551%0.01128%0.284CS..Hα-helixtrans-61.9-46.5173.9164.970.1000112.4H121 F122 L174 F175 S239 H243 A244 Y245 Q266 T270H121-W241 HydrophobicContact CB-CB 3.69Å; H121-W241 HydrophobicContact CB-CG 4.32Å; F122-W241 HydrophobicContact CE2-CB 4.4Å; F122-W241 AromaticContact CE2-CD1 3.64Å; F122-W241 AromaticContact CE2-CD2 3.8Å; F122-W241 HydrophobicContact CE2-CD2 3.8Å; F122-W241 AromaticContact CE2-CE2 3.8Å; F122-W241 AromaticContact CE2-CG 3.67Å; F122-W241 HydrophobicContact CE2-CG 3.67Å; F122-W241 HydrophobicContact CE2-CZ2 4.48Å; F122-W241 AromaticContact CE2-NE1 3.71Å; F122-W241 HydrophobicContact CZ-CD2 4.12Å; F122-W241 HydrophobicContact CZ-CE3 4.45Å; F122-W241 HydrophobicContact CZ-CG 4.3Å; L174-W241 HydrophobicContact CB-CE3 4.43Å; L174-W241 HydrophobicContact CB-CZ3 4.17Å; L174-W241 HydrophobicContact CD1-CZ3 4.24Å; L174-W241 HydrophobicContact CD2-CE3 4.29Å; F175-W241 HydrophobicContact CZ-CH2 4.4Å; F175-W241 HydrophobicContact CZ-CZ3 4.2Å; S239-W241 PolarHBondContact O-N 3.13Å; W241-H243 VanDerWaalsContact C-N 3.32Å; W241-H243 PolarHBondContact O-N 3.48Å; W241-A244 PolarHBondContact O-N 2.8Å; W241-Y245 WeakPolarHBondContact O-CB 3.14Å; W241-Y245 PolarHBondContact O-N 3.18Å; W241-Q266 HydrophobicContact CH2-CB 3.88Å; W241-Q266 HydrophobicContact CH2-CG 4.19Å; W241-Q266 HydrophobicContact CZ2-CB 4.39Å; W241-Q266 HydrophobicContact CZ2-CG 4.22Å; W241-T270 HydrophobicContact CH2-CG2 3.75Å; W241-T270 HydrophobicContact CZ2-CG2 4.29Å; W241-T270 HydrophobicContact CZ3-CG2 4.41Å
242L94.7Very high88.4Confident0 Ų057.1 Ų57.10%029%0.294CS..Hα-helixtrans-67.6-36.6-176.9-173.859.6000111.2F175 A230 S239 Y245 R246 V263F175-L242 HydrophobicContact CB-CD2 4.29Å; F175-L242 HydrophobicContact CD1-CD1 4.41Å; F175-L242 HydrophobicContact CD1-CD2 3.56Å; F175-L242 HydrophobicContact CE1-CD1 4.22Å; F175-L242 HydrophobicContact CE1-CD2 4.17Å; F175-L242 HydrophobicContact CG-CD2 4.12Å; A230-L242 HydrophobicContact CB-CD2 3.82Å; S239-L242 PolarHBondContact O-N 2.8Å; S239-L242 PolarHBondContact OG-N 3.21Å; L242-Y245 HydrophobicContact CD1-CD1 4.36Å; L242-Y245 PolarHBondContact O-N 3.17Å; L242-R246 PolarHBondContact O-N 3.47Å; L242-V263 HydrophobicContact CD1-CG1 4.5Å; L242-V263 HydrophobicContact CD1-CG2 4.31Å
243H94Very high88.8Confident34 Ų3456.3 Ų56.316%0.15731%0.306CS..Hα-helixtrans-62.1-46.1171.4-66.7-56000112.3G231 T233 S236 S238 S239 W241 Y245 R246 R247G231-H243 PolarHBondContact O-ND1 3.15Å; T233-H243 PolarHBondContact O-CE1 2.89Å; S236-H243 PolarHBondContact OG-CE1 3.45Å; S238-H243 PolarHBondContact O-NE2 3.37Å; S239-H243 PolarHBondContact O-CD2 3.16Å; S239-H243 PolarHBondContact O-N 3.15Å; W241-H243 VanDerWaalsContact C-N 3.32Å; W241-H243 PolarHBondContact O-N 3.48Å; H243-Y245 VanDerWaalsContact C-N 3.29Å; H243-Y245 PolarHBondContact O-N 3.23Å; H243-R246 PolarHBondContact O-N 2.89Å; H243-R247 WeakPolarHBondContact O-CB 3.46Å; H243-R247 PolarHBondContact O-N 2.76Å
244A94Very high89.3Confident20 Ų2053 Ų5317%0.16529%0.286CS..Hα-helixtrans-62.6-37.8176.200000111.7M117 H121 P240 W241 R247 L248M117-A244 HydrophobicContact CG-CB 3.97Å; M117-A244 HydrophobicContact SD-CB 3.86Å; H121-A244 WeakPolarHBondContact NE2-CB 3.28Å; P240-A244 WeakPolarHBondContact O-CB 3.42Å; P240-A244 PolarHBondContact O-N 3.17Å; W241-A244 PolarHBondContact O-N 2.8Å; A244-R247 PolarHBondContact O-N 3.21Å; A244-L248 WeakPolarHBondContact O-CB 3.14Å; A244-L248 PolarHBondContact O-N 2.88Å
245Y94.3Very high90.2Very high6 Ų648.9 Ų48.92%0.02427%0.269CS..Hα-helixtrans-64.3-48176-177-118.9000112.5M117 W241 L242 H243 R247 L248 L249 A262 Q266M117-Y245 HydrophobicContact CE-CD2 3.87Å; M117-Y245 HydrophobicContact CE-CG 4.39Å; W241-Y245 WeakPolarHBondContact O-CB 3.14Å; W241-Y245 PolarHBondContact O-N 3.18Å; L242-Y245 HydrophobicContact CD1-CD1 4.36Å; L242-Y245 PolarHBondContact O-N 3.17Å; H243-Y245 VanDerWaalsContact C-N 3.29Å; H243-Y245 PolarHBondContact O-N 3.23Å; Y245-R247 VanDerWaalsContact C-N 3.33Å; Y245-R247 PolarHBondContact O-N 3.06Å; Y245-L248 WeakPolarHBondContact O-CB 3.24Å; Y245-L248 PolarHBondContact O-N 3.46Å; Y245-L249 HydrophobicContact CD1-CD1 4.05Å; Y245-L249 HydrophobicContact CE1-CD1 3.65Å; Y245-L249 HydrophobicContact CE1-CG 4.45Å; Y245-L249 HydrophobicContact CE2-CD1 4.43Å; Y245-L249 HydrophobicContact CE2-CD2 4.43Å; Y245-L249 HydrophobicContact CE2-CG 4.39Å; Y245-L249 WeakPolarHBondContact O-CG 3.44Å; Y245-L249 PolarHBondContact O-N 2.89Å; Y245-A262 HydrophobicContact CE1-CB 4.08Å; Y245-Q266 HydrophobicContact CD1-CG 3.84Å; Y245-Q266 HydrophobicContact CE1-CG 3.31Å; Y245-Q266 VanDerWaalsContact CZ-NE2 3.3Å; Y245-Q266 PolarHBondContact OH-NE2 3.12Å; Y245-Q266 VanDerWaalsContact OH-NE2 3.13Å
246R92.9Very high91.2Very high8 Ų847.2 Ų47.23%0.0326%0.262CS..Hα-helixtrans-64.1-38.3176-78.8-174.4174.8-98.316.4112.7A228 A230 G231 L242 H243 L248 L249 K250 V263A228-R246 PolarHBondContact O-NH2 3.01Å; A230-R246 PolarHBondContact O-NE 2.79Å; A230-R246 PolarHBondContact O-NH2 2.6Å; G231-R246 VanDerWaalsContact C-CD 3.47Å; G231-R246 VanDerWaalsContact O-CD 3.29Å; G231-R246 WeakPolarHBondContact O-CD 3.39Å; L242-R246 PolarHBondContact O-N 3.47Å; H243-R246 PolarHBondContact O-N 2.89Å; R246-L248 VanDerWaalsContact C-N 3.35Å; R246-L249 PolarHBondContact O-N 2.98Å; R246-K250 WeakPolarHBondContact O-CG 3.45Å; R246-K250 PolarHBondContact O-N 3.48Å; R246-V263 HydrophobicContact CG-CG2 4.41Å
247R93.1Very high92.4Very high148 Ų14851.3 Ų51.356%0.55828%0.278SS*.Hα-helixtrans-60.7-45.6174.6-168.9-176.1-50.6-175.81.7111.4H243 A244 Y245 L249 K250 E251H243-R247 WeakPolarHBondContact O-CB 3.46Å; H243-R247 PolarHBondContact O-N 2.76Å; A244-R247 PolarHBondContact O-N 3.21Å; Y245-R247 VanDerWaalsContact C-N 3.33Å; Y245-R247 PolarHBondContact O-N 3.06Å; R247-L249 VanDerWaalsContact C-N 3.32Å; R247-L249 PolarHBondContact O-N 2.97Å; R247-K250 PolarHBondContact O-N 3.24Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 3.33Å
248L92.7Very high93.1Very high9 Ų950.8 Ų50.85%0.04727%0.265CS..Hα-helixtrans-57.9-44.9175.4179.164.2000111.6K113 A114 M117 A244 Y245 R246 K250 E251 D252K113-L248 HydrophobicContact CD-CD1 3.64Å; K113-L248 HydrophobicContact CG-CD1 4.04Å; A114-L248 HydrophobicContact CB-CD2 3.9Å; M117-L248 HydrophobicContact CE-CD2 4.32Å; A244-L248 WeakPolarHBondContact O-CB 3.14Å; A244-L248 PolarHBondContact O-N 2.88Å; Y245-L248 WeakPolarHBondContact O-CB 3.24Å; Y245-L248 PolarHBondContact O-N 3.46Å; R246-L248 VanDerWaalsContact C-N 3.35Å; L248-K250 VanDerWaalsContact C-N 3.35Å; L248-K250 PolarHBondContact O-N 3.13Å; L248-E251 PolarHBondContact O-N 2.94Å; L248-D252 WeakPolarHBondContact O-CB 3.47Å; L248-D252 VanDerWaalsContact O-CG 3.29Å; L248-D252 PolarHBondContact O-N 3.5Å
249L92.9Very high93.3Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-62.3-41.1176.6-66.5172.1000112.2L106 Y245 R246 R247 D252 G253 V254 Q259 A262L106-L249 HydrophobicContact CD1-CD2 4.2Å; L106-L249 HydrophobicContact CD2-CD2 3.94Å; Y245-L249 HydrophobicContact CD1-CD1 4.05Å; Y245-L249 HydrophobicContact CE1-CD1 3.65Å; Y245-L249 HydrophobicContact CE1-CG 4.45Å; Y245-L249 HydrophobicContact CE2-CD1 4.43Å; Y245-L249 HydrophobicContact CE2-CD2 4.43Å; Y245-L249 HydrophobicContact CE2-CG 4.39Å; Y245-L249 WeakPolarHBondContact O-CG 3.44Å; Y245-L249 PolarHBondContact O-N 2.89Å; R246-L249 PolarHBondContact O-N 2.98Å; R247-L249 VanDerWaalsContact C-N 3.32Å; R247-L249 PolarHBondContact O-N 2.97Å; L249-D252 PolarHBondContact O-N 3Å; L249-G253 PolarHBondContact O-N 2.85Å; L249-V254 HydrophobicContact CB-CB 4.1Å; L249-V254 HydrophobicContact CB-CG2 4.3Å; L249-V254 HydrophobicContact CD2-CG2 4.09Å; L249-V254 VanDerWaalsContact O-CB 3.22Å; L249-V254 WeakPolarHBondContact O-CB 3.23Å; L249-V254 VanDerWaalsContact O-CG2 3.32Å; L249-V254 WeakPolarHBondContact O-CG2 3.46Å; L249-V254 PolarHBondContact O-N 3.49Å; L249-Q259 HydrophobicContact CB-CG 3.8Å; L249-Q259 HydrophobicContact CD1-CB 4.34Å; L249-Q259 HydrophobicContact CD1-CG 4Å; L249-A262 HydrophobicContact CD1-CB 3.72Å; L249-A262 HydrophobicContact CD2-CB 4.5Å
250K92.4Very high93.4Very high113 Ų11351.5 Ų51.549%0.49127%0.27SS..Hα-helixtrans-64.3-44.1175.8-72.8179.1178.5-173.60112.1R246 R247 L248 D252 G253R246-K250 WeakPolarHBondContact O-CG 3.45Å; R246-K250 PolarHBondContact O-N 3.48Å; R247-K250 PolarHBondContact O-N 3.24Å; L248-K250 VanDerWaalsContact C-N 3.35Å; L248-K250 PolarHBondContact O-N 3.13Å; K250-D252 PolarHBondContact O-N 3.32Å; K250-G253 PolarHBondContact O-N 3.32Å
251E91.8Very high93.5Very high118 Ų11849.4 Ų49.455%0.55125%0.25SS*.Hα-helixtrans-59.8-36.7174.8-73.9172-164.500111.9K113 R247 L248 G253K113-E251 IonicContact NZ-OE2 3.02Å; K113-E251 PolarHBondContact NZ-OE2 3.38Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 3.33Å; L248-E251 PolarHBondContact O-N 2.94Å; E251-G253 PolarHBondContact O-N 3.38Å
252D90.9Very high93.5Very high47 Ų4749.2 Ų49.225%0.25125%0.25SC..THydrogen-bonded Turntrans-78.94.6177.4-69.2-5.4000112.8L248 L249 K250 V254L248-D252 WeakPolarHBondContact O-CB 3.47Å; L248-D252 VanDerWaalsContact O-CG 3.29Å; L248-D252 PolarHBondContact O-N 3.5Å; L249-D252 PolarHBondContact O-N 3Å; K250-D252 PolarHBondContact O-N 3.32Å; D252-V254 VanDerWaalsContact C-N 3.34Å; D252-V254 HydrophobicContact CB-CG2 4.19Å; D252-V254 PolarHBondContact O-N 2.98Å
253G92.3Very high93.6Very high68 Ų6849.2 Ų49.270%0.70125%0.25SC*.THydrogen-bonded Turntrans72.921.4177.400000114.7L249 K250 E251L249-G253 PolarHBondContact O-N 2.85Å; K250-G253 PolarHBondContact O-N 3.32Å; E251-G253 PolarHBondContact O-N 3.38Å
254V93.6Very high93.7Very high11 Ų1147.6 Ų47.67%0.06724%0.242CC..  trans-76.3126.4180-176.70000109.9L106 P107 L249 D252 M258 Q259L106-V254 HydrophobicContact CD2-CG1 3.93Å; L106-V254 HydrophobicContact CD2-CG2 4.15Å; P107-V254 HydrophobicContact CG-CG2 4.21Å; L249-V254 HydrophobicContact CB-CB 4.1Å; L249-V254 HydrophobicContact CB-CG2 4.3Å; L249-V254 HydrophobicContact CD2-CG2 4.09Å; L249-V254 VanDerWaalsContact O-CB 3.22Å; L249-V254 WeakPolarHBondContact O-CB 3.23Å; L249-V254 VanDerWaalsContact O-CG2 3.32Å; L249-V254 WeakPolarHBondContact O-CG2 3.46Å; L249-V254 PolarHBondContact O-N 3.49Å; D252-V254 VanDerWaalsContact C-N 3.34Å; D252-V254 HydrophobicContact CB-CG2 4.19Å; D252-V254 PolarHBondContact O-N 2.98Å; V254-M258 HydrophobicContact CG1-CB 3.61Å; V254-M258 HydrophobicContact CG1-CG 3.88Å; V254-Q259 HydrophobicContact CB-CG 4.33Å; V254-Q259 HydrophobicContact CG1-CG 4.03Å; V254-Q259 PolarHBondContact O-NE2 3Å
255D94.1Very high93.9Very high87 Ų8748 Ų4847%0.46524%0.241SC..  trans-66164.9178.166.769.7000113.2E257 M258 Q259D255-E257 VanDerWaalsContact C-N 3.35Å; D255-E257 PolarHBondContact O-N 3.07Å; D255-E257 WeakPolarHBondContact OD1-CB 3.36Å; D255-E257 PolarHBondContact OD1-N 3.41Å; D255-E257 VanDerWaalsContact OD1-N 3.09Å; D255-M258 PolarHBondContact O-N 3.24Å; D255-M258 WeakPolarHBondContact OD1-CB 3.35Å; D255-M258 PolarHBondContact OD1-N 3.36Å; D255-Q259 WeakPolarHBondContact O-CG 3.49Å; D255-Q259 PolarHBondContact O-N 2.77Å
256E92.4Very high94Very high150 Ų15048.5 Ų48.570%0.70124%0.243SC*.Hα-helixtrans-65-34.7-174.3-63.7-169.9158.400113.8Q259 S260E256-Q259 PolarHBondContact O-N 3.49Å; E256-S260 PolarHBondContact O-N 3.39Å; E256-S260 PolarHBondContact O-OG 2.93Å
257E93.8Very high94.2Very high111 Ų11148.1 Ų48.152%0.51924%0.242SC..Hα-helixtrans-64.6-46.9177.1-178.7178.7-172.900109.6D255 S260 R261D255-E257 VanDerWaalsContact C-N 3.35Å; D255-E257 PolarHBondContact O-N 3.07Å; D255-E257 WeakPolarHBondContact OD1-CB 3.36Å; D255-E257 PolarHBondContact OD1-N 3.41Å; D255-E257 VanDerWaalsContact OD1-N 3.09Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 2.96Å; E257-R261 WeakPolarHBondContact O-CG 3.41Å; E257-R261 PolarHBondContact O-N 2.93Å; E257-R261 VanDerWaalsContact O-N 3.08Å; E257-R261 IonicContact OE1-CZ 2.73Å; E257-R261 IonicContact OE1-NE 3.66Å; E257-R261 IonicContact OE1-NH2 3.86Å; E257-R261 PolarHBondContact OE1-NH2 3.34Å
258M95.1Very high94.4Very high26 Ų2643.4 Ų43.413%0.12822%0.224CC..Hα-helixtrans-70.4-33.3-179.7-157.462.963.600112.3L104 R105 L106 V254 D255 S260 R261 A262L104-M258 HydrophobicContact CD1-CG 3.81Å; L104-M258 WeakPolarHBondContact CD1-O 3.37Å; L104-M258 HydrophobicContact CD1-SD 3.63Å; R105-M258 HydrophobicContact CB-CE 4.39Å; R105-M258 HydrophobicContact CB-SD 4.45Å; R105-M258 PolarHBondContact N-SD 3.41Å; R105-M258 WeakPolarHBondContact O-CG 3.32Å; L106-M258 HydrophobicContact CD2-CG 4.13Å; V254-M258 HydrophobicContact CG1-CB 3.61Å; V254-M258 HydrophobicContact CG1-CG 3.88Å; D255-M258 PolarHBondContact O-N 3.24Å; D255-M258 WeakPolarHBondContact OD1-CB 3.35Å; D255-M258 PolarHBondContact OD1-N 3.36Å; M258-S260 VanDerWaalsContact C-N 3.34Å; M258-R261 PolarHBondContact O-N 3.24Å; M258-A262 WeakPolarHBondContact O-CB 3.11Å; M258-A262 PolarHBondContact O-N 2.63Å
259Q94.2Very high94.6Very high6 Ų645.2 Ų45.23%0.02824%0.241CC..Hα-helixtrans-59.6-43.6168.6-75.8176.654.900111.7L249 V254 D255 E256 R261 A262 V263L249-Q259 HydrophobicContact CB-CG 3.8Å; L249-Q259 HydrophobicContact CD1-CB 4.34Å; L249-Q259 HydrophobicContact CD1-CG 4Å; V254-Q259 HydrophobicContact CB-CG 4.33Å; V254-Q259 HydrophobicContact CG1-CG 4.03Å; V254-Q259 PolarHBondContact O-NE2 3Å; D255-Q259 WeakPolarHBondContact O-CG 3.49Å; D255-Q259 PolarHBondContact O-N 2.77Å; E256-Q259 PolarHBondContact O-N 3.49Å; Q259-R261 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 3.33Å; Q259-A262 WeakPolarHBondContact O-CB 3.4Å; Q259-A262 PolarHBondContact O-N 2.68Å; Q259-A262 VanDerWaalsContact O-N 3.13Å; Q259-V263 WeakPolarHBondContact O-CG2 3.46Å; Q259-V263 PolarHBondContact O-N 2.88Å
260S93.6Very high94.8Very high28 Ų2846.8 Ų46.820%0.19625%0.25CS..Hα-helixtrans-63.4-41178.8-58.10000111.8E256 E257 M258 A262 V263 L264E256-S260 PolarHBondContact O-N 3.39Å; E256-S260 PolarHBondContact O-OG 2.93Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 2.96Å; M258-S260 VanDerWaalsContact C-N 3.34Å; S260-A262 VanDerWaalsContact C-N 3.32Å; S260-A262 PolarHBondContact O-N 3.45Å; S260-V263 PolarHBondContact O-N 3.35Å; S260-L264 PolarHBondContact O-N 3.16Å; S260-L264 VanDerWaalsContact O-N 3.14Å
261R96.1Very high95Very high44 Ų4441.9 Ų41.917%0.16623%0.229CC..Hα-helixtrans-63.3-38.1172.4-65.1179.7-173.8-173.53.8112.2N103 L104 W224 E257 M258 Q259 L264 M265N103-R261 VanDerWaalsContact O-CD 3.26Å; N103-R261 WeakPolarHBondContact O-CD 3.41Å; N103-R261 PolarHBondContact O-NH1 2.72Å; L104-R261 HydrophobicContact CB-CB 4.36Å; L104-R261 HydrophobicContact CD1-CB 3.98Å; W224-R261 HydrophobicContact CD2-CG 4.48Å; W224-R261 HydrophobicContact CH2-CG 4.39Å; W224-R261 HydrophobicContact CZ2-CG 3.67Å; E257-R261 WeakPolarHBondContact O-CG 3.41Å; E257-R261 PolarHBondContact O-N 2.93Å; E257-R261 VanDerWaalsContact O-N 3.08Å; E257-R261 IonicContact OE1-CZ 2.73Å; E257-R261 IonicContact OE1-NE 3.66Å; E257-R261 IonicContact OE1-NH2 3.86Å; E257-R261 PolarHBondContact OE1-NH2 3.34Å; M258-R261 PolarHBondContact O-N 3.24Å; Q259-R261 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 3.33Å; R261-L264 PolarHBondContact O-N 3.02Å; R261-M265 PolarHBondContact O-N 2.91Å; R261-M265 VanDerWaalsContact O-N 3.07Å
262A95.6Very high95.3Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-65.2-41.5176.800000112L104 Y245 L249 M258 Q259 S260 L264 M265 Q266L104-A262 HydrophobicContact CD1-CB 3.95Å; L104-A262 HydrophobicContact CD2-CB 4.23Å; Y245-A262 HydrophobicContact CE1-CB 4.08Å; L249-A262 HydrophobicContact CD1-CB 3.72Å; L249-A262 HydrophobicContact CD2-CB 4.5Å; M258-A262 WeakPolarHBondContact O-CB 3.11Å; M258-A262 PolarHBondContact O-N 2.63Å; Q259-A262 WeakPolarHBondContact O-CB 3.4Å; Q259-A262 PolarHBondContact O-N 2.68Å; Q259-A262 VanDerWaalsContact O-N 3.13Å; S260-A262 VanDerWaalsContact C-N 3.32Å; S260-A262 PolarHBondContact O-N 3.45Å; A262-L264 VanDerWaalsContact C-N 3.35Å; A262-L264 PolarHBondContact O-N 3Å; A262-M265 WeakPolarHBondContact O-CB 3.49Å; A262-M265 PolarHBondContact O-N 2.93Å; A262-Q266 WeakPolarHBondContact O-CG 3.27Å; A262-Q266 PolarHBondContact O-N 3.13Å
263V95.6Very high95.7Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-63.1-39.7175174.40000111.6F175 L227 L242 R246 Q259 S260 M265 Q266 L267F175-V263 HydrophobicContact CD1-CG1 4.06Å; F175-V263 HydrophobicContact CE1-CG1 3.89Å; L227-V263 HydrophobicContact CB-CG1 4.15Å; L227-V263 HydrophobicContact CD1-CG1 4.4Å; L242-V263 HydrophobicContact CD1-CG1 4.5Å; L242-V263 HydrophobicContact CD1-CG2 4.31Å; R246-V263 HydrophobicContact CG-CG2 4.41Å; Q259-V263 WeakPolarHBondContact O-CG2 3.46Å; Q259-V263 PolarHBondContact O-N 2.88Å; S260-V263 PolarHBondContact O-N 3.35Å; V263-M265 PolarHBondContact O-N 3.35Å; V263-Q266 WeakPolarHBondContact O-CB 3.34Å; V263-Q266 PolarHBondContact O-N 2.84Å; V263-L267 PolarHBondContact O-N 2.88Å
264L97.4Very high95.9Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-61.7-42.9173176.157.5000112.3F102 L196 Q220 L223 W224 L227 S260 R261 A262 Q266 L267 W268F102-L264 HydrophobicContact CD1-CD2 4.28Å; F102-L264 HydrophobicContact CD1-CG 4.02Å; F102-L264 HydrophobicContact CE1-CG 4.3Å; L196-L264 HydrophobicContact CD2-CD1 3.94Å; L196-L264 HydrophobicContact CD2-CD2 4.23Å; L196-L264 HydrophobicContact CD2-CG 4.32Å; Q220-L264 HydrophobicContact CB-CD2 4.4Å; Q220-L264 HydrophobicContact CG-CD2 4.29Å; L223-L264 HydrophobicContact CB-CD1 3.86Å; L223-L264 HydrophobicContact CB-CD2 4.29Å; L223-L264 HydrophobicContact CD1-CD1 3.86Å; L223-L264 HydrophobicContact CG-CD1 4.35Å; W224-L264 VanDerWaalsContact NE1-CD2 3.32Å; L227-L264 HydrophobicContact CD1-CB 4.13Å; L227-L264 HydrophobicContact CD1-CD1 3.98Å; S260-L264 PolarHBondContact O-N 3.16Å; S260-L264 VanDerWaalsContact O-N 3.14Å; R261-L264 PolarHBondContact O-N 3.02Å; A262-L264 VanDerWaalsContact C-N 3.35Å; A262-L264 PolarHBondContact O-N 3Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.35Å; L264-L267 HydrophobicContact CD1-CD2 4.35Å; L264-L267 WeakPolarHBondContact O-CB 3.3Å; L264-L267 PolarHBondContact O-N 3.33Å; L264-W268 PolarHBondContact O-N 3.43Å; L264-W268 VanDerWaalsContact O-N 3.15Å
265M96.7Very high96.2Very high27 Ų2734 Ų3413%0.13318%0.176CC..Hα-helixtrans-59.1-41.6173.9-177.3-164.473.800111.1M98 F102 L104 R261 A262 V263 W268 A269M98-M265 HydrophobicContact CE-CE 4.43Å; M98-M265 HydrophobicContact CE-SD 3.88Å; M98-M265 HydrophobicContact CG-SD 3.62Å; M98-M265 HydrophobicContact SD-SD 4.08Å; F102-M265 HydrophobicContact CD1-CB 4.25Å; F102-M265 HydrophobicContact CD2-CB 3.96Å; F102-M265 HydrophobicContact CD2-CG 3.79Å; F102-M265 HydrophobicContact CE1-CB 4.47Å; F102-M265 HydrophobicContact CE2-CB 4.2Å; F102-M265 HydrophobicContact CE2-CG 3.78Å; F102-M265 HydrophobicContact CG-CB 3.99Å; F102-M265 HydrophobicContact CG-CG 4.35Å; F102-M265 HydrophobicContact CZ-CB 4.45Å; F102-M265 HydrophobicContact CZ-CG 4.32Å; L104-M265 HydrophobicContact CD2-CB 3.91Å; L104-M265 HydrophobicContact CD2-CE 4.22Å; L104-M265 HydrophobicContact CD2-CG 4.3Å; L104-M265 HydrophobicContact CD2-SD 3.58Å; L104-M265 VanDerWaalsContact CD2-SD 3.58Å; R261-M265 PolarHBondContact O-N 2.91Å; R261-M265 VanDerWaalsContact O-N 3.07Å; A262-M265 WeakPolarHBondContact O-CB 3.49Å; A262-M265 PolarHBondContact O-N 2.93Å; V263-M265 PolarHBondContact O-N 3.35Å; M265-W268 PolarHBondContact O-N 2.78Å; M265-A269 WeakPolarHBondContact O-CB 3.44Å; M265-A269 PolarHBondContact O-N 2.89Å
266Q96.8Very high96.4Very high17 Ų1729.9 Ų29.98%0.07915%0.154CC..Hα-helixtrans-65.2-36.7177.1-69.5-50.9-31.200113.1F175 W241 Y245 A262 V263 L264 W268 A269 T270F175-Q266 HydrophobicContact CZ-CB 4.32Å; W241-Q266 HydrophobicContact CH2-CB 3.88Å; W241-Q266 HydrophobicContact CH2-CG 4.19Å; W241-Q266 HydrophobicContact CZ2-CB 4.39Å; W241-Q266 HydrophobicContact CZ2-CG 4.22Å; Y245-Q266 HydrophobicContact CD1-CG 3.84Å; Y245-Q266 HydrophobicContact CE1-CG 3.31Å; Y245-Q266 VanDerWaalsContact CZ-NE2 3.3Å; Y245-Q266 PolarHBondContact OH-NE2 3.12Å; Y245-Q266 VanDerWaalsContact OH-NE2 3.13Å; A262-Q266 WeakPolarHBondContact O-CG 3.27Å; A262-Q266 PolarHBondContact O-N 3.13Å; V263-Q266 WeakPolarHBondContact O-CB 3.34Å; V263-Q266 PolarHBondContact O-N 2.84Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.35Å; Q266-W268 VanDerWaalsContact C-N 3.34Å; Q266-A269 PolarHBondContact O-N 2.84Å; Q266-T270 WeakPolarHBondContact O-CB 3.43Å; Q266-T270 WeakPolarHBondContact O-CG2 3.4Å; Q266-T270 PolarHBondContact O-N 2.9Å; Q266-T270 PolarHBondContact O-OG1 3.28Å
267L97.8Very high96.7Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-58.6-48172.7-17872000110.3F167 Y171 F175 V189 Y193 L227 V263 L264 T270 Q271F167-L267 HydrophobicContact CE2-CD1 4.2Å; F167-L267 HydrophobicContact CE2-CD2 4.48Å; F167-L267 HydrophobicContact CE2-CG 4.29Å; F167-L267 HydrophobicContact CZ-CD1 3.95Å; F167-L267 HydrophobicContact CZ-CD2 4.07Å; F167-L267 HydrophobicContact CZ-CG 4.22Å; Y171-L267 HydrophobicContact CD2-CD1 3.98Å; F175-L267 HydrophobicContact CD2-CD1 4.08Å; F175-L267 HydrophobicContact CE1-CB 4.3Å; F175-L267 HydrophobicContact CE2-CD1 3.83Å; F175-L267 HydrophobicContact CZ-CB 4.01Å; F175-L267 HydrophobicContact CZ-CD1 4.11Å; V189-L267 HydrophobicContact CG1-CD2 4.01Å; Y193-L267 HydrophobicContact CD2-CD2 4.01Å; Y193-L267 HydrophobicContact CD2-CG 4.32Å; L227-L267 HydrophobicContact CD1-CB 4.33Å; L227-L267 HydrophobicContact CD1-CD2 3.88Å; L227-L267 HydrophobicContact CD2-CD2 4.24Å; V263-L267 PolarHBondContact O-N 2.88Å; L264-L267 HydrophobicContact CD1-CD2 4.35Å; L264-L267 WeakPolarHBondContact O-CB 3.3Å; L264-L267 PolarHBondContact O-N 3.33Å; L267-T270 PolarHBondContact O-OG1 3.33Å; L267-Q271 HydrophobicContact CD1-CG 3.77Å; L267-Q271 HydrophobicContact CG-CG 4.41Å; L267-Q271 VanDerWaalsContact O-CB 3.32Å; L267-Q271 WeakPolarHBondContact O-CB 3.26Å; L267-Q271 VanDerWaalsContact O-CG 3.26Å; L267-Q271 WeakPolarHBondContact O-CG 3.32Å; L267-Q271 PolarHBondContact O-N 3.25Å
268W97.7Very high96.9Very high49 Ų4917.6 Ų17.619%0.18610%0.097CC..Hα-helixtrans-62.3-46.7175.9174.580.5000112.6F102 Y193 L200 L264 M265 Q266 T270 G272F102-W268 HydrophobicContact CE1-CB 4Å; F102-W268 HydrophobicContact CE1-CG 4.5Å; F102-W268 HydrophobicContact CE2-CE3 4.28Å; F102-W268 HydrophobicContact CZ-CB 3.7Å; F102-W268 AromaticContact CZ-CD2 3.97Å; F102-W268 HydrophobicContact CZ-CD2 3.97Å; F102-W268 HydrophobicContact CZ-CE3 4.02Å; F102-W268 AromaticContact CZ-CG 3.83Å; F102-W268 HydrophobicContact CZ-CG 3.83Å; Y193-W268 HydrophobicContact CE2-CB 4.16Å; L200-W268 HydrophobicContact CD1-CD2 4.25Å; L200-W268 HydrophobicContact CD1-CG 4.03Å; L200-W268 HydrophobicContact CD1-CZ2 4.47Å; L264-W268 PolarHBondContact O-N 3.43Å; L264-W268 VanDerWaalsContact O-N 3.15Å; M265-W268 PolarHBondContact O-N 2.78Å; Q266-W268 VanDerWaalsContact C-N 3.34Å; W268-T270 VanDerWaalsContact C-N 3.28Å; W268-T270 PolarHBondContact O-N 3.3Å; W268-G272 WeakPolarHBondContact O-CA 3.49Å; W268-G272 PolarHBondContact O-N 3.23Å
269A95.8Very high97.1Very high47 Ų4716.3 Ų16.339%0.3889%0.091SC..Hα-helixtrans-62.9-34.4-17700000112.9M265 Q266M265-A269 WeakPolarHBondContact O-CB 3.44Å; M265-A269 PolarHBondContact O-N 2.89Å; Q266-A269 PolarHBondContact O-N 2.84Å
270T97.3Very high97.3Very high33 Ų3316.1 Ų16.120%0.2029%0.09CC..Hα-helixtrans-90.7-31.6-176.856.60000113.7L174 W241 Q266 L267 W268L174-T270 HydrophobicContact CD1-CG2 3.95Å; W241-T270 HydrophobicContact CH2-CG2 3.75Å; W241-T270 HydrophobicContact CZ2-CG2 4.29Å; W241-T270 HydrophobicContact CZ3-CG2 4.41Å; Q266-T270 WeakPolarHBondContact O-CB 3.43Å; Q266-T270 WeakPolarHBondContact O-CG2 3.4Å; Q266-T270 PolarHBondContact O-N 2.9Å; Q266-T270 PolarHBondContact O-OG1 3.28Å; L267-T270 PolarHBondContact O-OG1 3.33Å; W268-T270 VanDerWaalsContact C-N 3.28Å; W268-T270 PolarHBondContact O-N 3.3Å
271Q97.4Very high97.6Very high10 Ų1014.8 Ų14.85%0.0478%0.081CC..Hα-helixtrans-102.6-19.8-174.6-49.5-48.5-48.200114F167 L267 N273F167-Q271 HydrophobicContact CD2-CB 3.53Å; F167-Q271 HydrophobicContact CD2-CG 4.03Å; F167-Q271 HydrophobicContact CE2-CB 3.76Å; F167-Q271 HydrophobicContact CE2-CG 4Å; F167-Q271 HydrophobicContact CG-CB 4.48Å; L267-Q271 HydrophobicContact CD1-CG 3.77Å; L267-Q271 HydrophobicContact CG-CG 4.41Å; L267-Q271 VanDerWaalsContact O-CB 3.32Å; L267-Q271 WeakPolarHBondContact O-CB 3.26Å; L267-Q271 VanDerWaalsContact O-CG 3.26Å; L267-Q271 WeakPolarHBondContact O-CG 3.32Å; L267-Q271 PolarHBondContact O-N 3.25Å; Q271-N273 VanDerWaalsContact C-N 3.26Å; Q271-N273 PolarHBondContact O-N 3.34Å; Q271-N273 VanDerWaalsContact O-N 3.13Å
272G97.1Very high97.7Very high4 Ų412.7 Ų12.74%0.0417%0.073CC..THydrogen-bonded Turntrans-69.1-12.8-166.400000117.4Y163 Y193 W268Y163-G272 WeakPolarHBondContact OH-CA 3.49Å; Y163-G272 PolarHBondContact OH-O 2.95Å; Y193-G272 WeakPolarHBondContact OH-CA 3.31Å; Y193-G272 PolarHBondContact OH-N 3.44Å; W268-G272 WeakPolarHBondContact O-CA 3.49Å; W268-G272 PolarHBondContact O-N 3.23Å
273N98.5Very high97.9Very high52 Ų5212.7 Ų12.728%0.2787%0.073SC..THydrogen-bonded Turntrans-119-31.9-170.1-68.4-65000113.8Q271 P276 A277 M466Q271-N273 VanDerWaalsContact C-N 3.26Å; Q271-N273 PolarHBondContact O-N 3.34Å; Q271-N273 VanDerWaalsContact O-N 3.13Å; N273-P276 WeakPolarHBondContact O-CD 3.22Å; N273-A277 WeakPolarHBondContact O-CB 3.37Å; N273-A277 PolarHBondContact O-N 3Å; N273-M466 HydrophobicContact CB-CB 4.36Å; N273-M466 HydrophobicContact CB-CG 3.71Å; N273-M466 WeakPolarHBondContact O-CG 3.4Å; N273-M466 PolarHBondContact OD1-N 3.41Å
274V97.9Very high98Very high22 Ų2213.6 Ų13.613%0.1338%0.076CC..Hα-helixtrans-67.7-45.8-170.8-175.60000111.6L166 A277 A278 A428 T431 I432L166-V274 HydrophobicContact CD1-CG1 4.17Å; L166-V274 HydrophobicContact CD2-CG1 4.26Å; V274-A277 PolarHBondContact O-N 2.95Å; V274-A278 PolarHBondContact O-N 3.41Å; V274-A428 HydrophobicContact CG2-CB 4.12Å; V274-T431 HydrophobicContact CG1-CG2 3.63Å; V274-I432 HydrophobicContact CG1-CD1 4.29Å; V274-I432 HydrophobicContact CG1-CG1 3.66Å
275G98.4Very high98.1Very high1 Ų113.7 Ų13.71%0.018%0.077CC..Hα-helixtrans-58.3-55.4175.600000113.2A277 A278 F279G275-A277 VanDerWaalsContact C-N 3.3Å; G275-A277 PolarHBondContact O-N 3.15Å; G275-A278 PolarHBondContact O-N 2.94Å; G275-F279 PolarHBondContact O-N 2.76Å
276P98.7Very high98.2Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-56.5-38.9174.5-27.834.4000114.2F159 Y163 N273 F279 W280 M466 Q468F159-P276 HydrophobicContact CE2-CB 4.12Å; F159-P276 HydrophobicContact CE2-CG 4Å; Y163-P276 HydrophobicContact CD1-CG 4.14Å; Y163-P276 HydrophobicContact CE1-CG 3.76Å; N273-P276 WeakPolarHBondContact O-CD 3.22Å; P276-F279 PolarHBondContact O-N 2.95Å; P276-W280 PolarHBondContact O-N 2.77Å; P276-W280 VanDerWaalsContact O-N 3.12Å; P276-M466 HydrophobicContact CB-CB 3.9Å; P276-Q468 HydrophobicContact CB-CG 4.39Å; P276-Q468 HydrophobicContact CG-CG 4.17Å
277A98.9Very high98.2Very high3 Ų314.2 Ų14.23%0.0258%0.082CC..Hα-helixtrans-64.6-43.4176.700000112.5N273 V274 G275 W280 L281 L330 I432 M466N273-A277 WeakPolarHBondContact O-CB 3.37Å; N273-A277 PolarHBondContact O-N 3Å; V274-A277 PolarHBondContact O-N 2.95Å; G275-A277 VanDerWaalsContact C-N 3.3Å; G275-A277 PolarHBondContact O-N 3.15Å; A277-W280 PolarHBondContact O-N 3.06Å; A277-L281 WeakPolarHBondContact O-CB 3.44Å; A277-L281 PolarHBondContact O-N 2.59Å; A277-L330 HydrophobicContact CB-CD2 4.26Å; A277-I432 HydrophobicContact CB-CD1 3.75Å; A277-M466 HydrophobicContact CB-CE 3.74Å; A277-M466 HydrophobicContact CB-CG 4.31Å; A277-M466 HydrophobicContact CB-SD 4.24Å
278A98.8Very high98.2Very high0 Ų016.8 Ų16.80%010%0.096CC..Hα-helixtrans-65.3-39176.500000112.5L166 V274 G275 L281 L282 I432 F435L166-A278 HydrophobicContact CD1-CB 3.31Å; V274-A278 PolarHBondContact O-N 3.41Å; G275-A278 PolarHBondContact O-N 2.94Å; A278-L281 PolarHBondContact O-N 3.34Å; A278-L282 WeakPolarHBondContact O-CB 3.11Å; A278-L282 WeakPolarHBondContact O-CG 3.32Å; A278-L282 PolarHBondContact O-N 3.28Å; A278-I432 HydrophobicContact CB-CG2 4.26Å; A278-F435 HydrophobicContact CB-CD1 3.79Å; A278-F435 HydrophobicContact CB-CE1 3.92Å
279F98.9Very high98.2Very high0 Ų019 Ų190%012%0.117CC..Hα-helixtrans-56.1-53.7173.2159.1-103.4000111.7L158 F159 G275 P276 L281 L282 G283 P455 P469 L473L158-F279 HydrophobicContact CB-CD2 4.08Å; L158-F279 HydrophobicContact CB-CE2 4.24Å; L158-F279 HydrophobicContact CD2-CD2 4.14Å; L158-F279 HydrophobicContact CD2-CE2 4.35Å; L158-F279 HydrophobicContact CG-CD2 3.92Å; L158-F279 HydrophobicContact CG-CE2 4.41Å; F159-F279 HydrophobicContact CB-CB 4.46Å; F159-F279 HydrophobicContact CB-CD1 4.44Å; F159-F279 HydrophobicContact CB-CD2 3.5Å; F159-F279 VanDerWaalsContact CB-CD2 3.5Å; F159-F279 HydrophobicContact CB-CE2 3.76Å; F159-F279 HydrophobicContact CB-CG 3.86Å; F159-F279 HydrophobicContact CB-CZ 4.36Å; F159-F279 HydrophobicContact CD2-CB 3.78Å; F159-F279 AromaticContact CD2-CD1 3.83Å; F159-F279 HydrophobicContact CD2-CD1 3.83Å; F159-F279 HydrophobicContact CD2-CD2 4.21Å; F159-F279 AromaticContact CD2-CG 3.64Å; F159-F279 HydrophobicContact CD2-CG 3.64Å; F159-F279 HydrophobicContact CG-CD2 4.35Å; F159-F279 HydrophobicContact CG-CG 4.23Å; F159-F279 VanDerWaalsContact N-CD2 3.32Å; G275-F279 PolarHBondContact O-N 2.76Å; P276-F279 PolarHBondContact O-N 2.95Å; F279-L281 VanDerWaalsContact C-N 3.3Å; F279-L281 PolarHBondContact O-N 2.81Å; F279-L282 PolarHBondContact O-N 3.03Å; F279-G283 PolarHBondContact O-N 3.27Å; F279-P455 HydrophobicContact CZ-CG 3.79Å; F279-P469 HydrophobicContact CD1-CG 4.07Å; F279-P469 HydrophobicContact CE1-CB 3.65Å; F279-P469 HydrophobicContact CE1-CG 3.46Å; F279-P469 VanDerWaalsContact CE1-CG 3.46Å; F279-P469 HydrophobicContact CE2-CG 4.47Å; F279-P469 HydrophobicContact CZ-CB 3.8Å; F279-P469 HydrophobicContact CZ-CG 3.69Å; F279-L473 HydrophobicContact CE2-CB 4.1Å
280W98.9Very high98.3Very high2 Ų223.6 Ų23.61%0.00813%0.13CC..Hα-helixtrans-62.9-40.6-179.3-72.6118.7000111.5P276 A277 G283 Y284 T329 T333 L454 P455 K457 L467 P469P276-W280 PolarHBondContact O-N 2.77Å; P276-W280 VanDerWaalsContact O-N 3.12Å; A277-W280 PolarHBondContact O-N 3.06Å; W280-G283 PolarHBondContact O-N 3.13Å; W280-Y284 HydrophobicContact CB-CD2 4.41Å; W280-Y284 HydrophobicContact CB-CE2 4.15Å; W280-Y284 WeakPolarHBondContact O-CD2 3.23Å; W280-Y284 PolarHBondContact O-N 3.05Å; W280-T329 HydrophobicContact CB-CG2 3.6Å; W280-T333 HydrophobicContact CB-CG2 4.01Å; W280-T333 HydrophobicContact CD2-CG2 3.73Å; W280-T333 HydrophobicContact CE3-CG2 4.31Å; W280-T333 HydrophobicContact CG-CG2 3.57Å; W280-L454 HydrophobicContact CE3-CD2 4.16Å; W280-L454 HydrophobicContact CZ3-CB 4.28Å; W280-L454 HydrophobicContact CZ3-CD2 4.19Å; W280-P455 WeakPolarHBondContact CH2-O 3.27Å; W280-K457 HydrophobicContact CH2-CG 3.82Å; W280-K457 HydrophobicContact CZ2-CG 3.78Å; W280-L467 PolarHBondContact NE1-O 2.9Å; W280-P469 HydrophobicContact CH2-CB 4.08Å; W280-P469 HydrophobicContact CZ2-CB 4.09Å
281L98.9Very high98.4Very high0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-59.3-53.5178.4-171.7158.9000110.7A277 A278 F279 G283 Y284 L285 F322 V325 L326 T329 I432 V436A277-L281 WeakPolarHBondContact O-CB 3.44Å; A277-L281 PolarHBondContact O-N 2.59Å; A278-L281 PolarHBondContact O-N 3.34Å; F279-L281 VanDerWaalsContact C-N 3.3Å; F279-L281 PolarHBondContact O-N 2.81Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.06Å; L281-Y284 PolarHBondContact O-N 3.47Å; L281-L285 HydrophobicContact CD2-CD1 3.52Å; L281-L285 HydrophobicContact CD2-CG 4.06Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.12Å; L281-F322 HydrophobicContact CD1-CE2 3.77Å; L281-F322 HydrophobicContact CD1-CZ 3.85Å; L281-F322 HydrophobicContact CD2-CE2 4.28Å; L281-V325 HydrophobicContact CD1-CG1 4.29Å; L281-V325 HydrophobicContact CD2-CG1 4.14Å; L281-V325 HydrophobicContact CG-CG1 3.87Å; L281-L326 HydrophobicContact CD1-CB 4.01Å; L281-L326 HydrophobicContact CD1-CD1 3.85Å; L281-T329 HydrophobicContact CB-CG2 3.97Å; L281-I432 HydrophobicContact CD1-CG2 3.97Å; L281-V436 HydrophobicContact CD1-CG2 4.48Å; L281-V436 HydrophobicContact CD2-CB 4.48Å; L281-V436 HydrophobicContact CD2-CG1 3.92Å; L281-V436 HydrophobicContact CD2-CG2 3.77Å
282L98.8Very high98.4Very high0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-63-40.6178.6-73.3168.9000111.4L158 A278 F279 L285 L286 F435 V436 L439 L440 L445L158-L282 HydrophobicContact CD1-CB 4.07Å; L158-L282 HydrophobicContact CD1-CD1 4.01Å; L158-L282 HydrophobicContact CD2-CB 3.92Å; L158-L282 HydrophobicContact CG-CB 4.39Å; A278-L282 WeakPolarHBondContact O-CB 3.11Å; A278-L282 WeakPolarHBondContact O-CG 3.32Å; A278-L282 PolarHBondContact O-N 3.28Å; F279-L282 PolarHBondContact O-N 3.03Å; L282-L285 PolarHBondContact O-N 3.03Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 VanDerWaalsContact O-CG 3.26Å; L282-L286 WeakPolarHBondContact O-CG 3.32Å; L282-L286 PolarHBondContact O-N 2.81Å; L282-F435 HydrophobicContact CD1-CD1 4.41Å; L282-F435 HydrophobicContact CD1-CE1 3.72Å; L282-F435 HydrophobicContact CD1-CZ 4.48Å; L282-V436 HydrophobicContact CD2-CG1 3.99Å; L282-V436 HydrophobicContact CD2-CG2 4.25Å; L282-V436 HydrophobicContact CG-CG2 4.27Å; L282-L439 HydrophobicContact CD1-CD1 3.74Å; L282-L440 HydrophobicContact CD2-CD2 4.45Å; L282-L445 HydrophobicContact CD2-CD2 4.38Å
283G98.7Very high98.5Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-61.3-43.8176.600000112.7F279 W280 L281 T287F279-G283 PolarHBondContact O-N 3.27Å; W280-G283 PolarHBondContact O-N 3.13Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.06Å; G283-T287 WeakPolarHBondContact O-CB 3.23Å; G283-T287 WeakPolarHBondContact O-CG2 3.42Å; G283-T287 PolarHBondContact O-N 2.76Å; G283-T287 VanDerWaalsContact O-N 3.12Å; G283-T287 PolarHBondContact O-OG1 2.83Å
284Y98.8Very high98.4Very high19 Ų1924.7 Ų24.78%0.07514%0.138CC..Hα-helixtrans-64.1-42.8173.2-74.3-57.7000111.7W280 L281 T287 N288 T329 L332 T333 F385 L454W280-Y284 HydrophobicContact CB-CD2 4.41Å; W280-Y284 HydrophobicContact CB-CE2 4.15Å; W280-Y284 WeakPolarHBondContact O-CD2 3.23Å; W280-Y284 PolarHBondContact O-N 3.05Å; L281-Y284 PolarHBondContact O-N 3.47Å; Y284-T287 PolarHBondContact O-N 2.97Å; Y284-T287 PolarHBondContact O-OG1 2.82Å; Y284-N288 VanDerWaalsContact O-CB 3.25Å; Y284-N288 WeakPolarHBondContact O-CB 3.37Å; Y284-N288 PolarHBondContact O-N 2.75Å; Y284-N288 VanDerWaalsContact O-N 3.08Å; Y284-N288 PolarHBondContact O-ND2 2.85Å; Y284-T329 HydrophobicContact CD2-CG2 4.1Å; Y284-T329 HydrophobicContact CE2-CG2 4.22Å; Y284-L332 HydrophobicContact CE1-CD1 4.1Å; Y284-L332 HydrophobicContact CE2-CB 4.42Å; Y284-L332 HydrophobicContact CE2-CD1 4.15Å; Y284-T333 HydrophobicContact CE2-CG2 4.1Å; Y284-F385 HydrophobicContact CD1-CB 3.55Å; Y284-F385 HydrophobicContact CD1-CD1 4.24Å; Y284-F385 AromaticContact CD1-CD2 3.67Å; Y284-F385 HydrophobicContact CD1-CD2 3.67Å; Y284-F385 HydrophobicContact CD1-CE2 4.45Å; Y284-F385 AromaticContact CD1-CG 3.55Å; Y284-F385 HydrophobicContact CD1-CG 3.55Å; Y284-F385 AromaticContact CD2-CD2 3.75Å; Y284-F385 HydrophobicContact CD2-CD2 3.75Å; Y284-F385 HydrophobicContact CD2-CE2 4.01Å; Y284-F385 HydrophobicContact CD2-CG 4.47Å; Y284-F385 HydrophobicContact CE1-CB 3.79Å; Y284-F385 HydrophobicContact CE1-CD2 4.23Å; Y284-F385 HydrophobicContact CE1-CG 4.2Å; Y284-F385 HydrophobicContact CE2-CD2 4.31Å; Y284-F385 HydrophobicContact CG-CB 4.24Å; Y284-F385 HydrophobicContact CG-CD1 4.33Å; Y284-F385 AromaticContact CG-CD2 3.44Å; Y284-F385 HydrophobicContact CG-CD2 3.44Å; Y284-F385 VanDerWaalsContact CG-CD2 3.44Å; Y284-F385 AromaticContact CG-CE2 3.81Å; Y284-F385 HydrophobicContact CG-CE2 3.81Å; Y284-F385 AromaticContact CG-CG 3.75Å; Y284-F385 HydrophobicContact CG-CG 3.75Å; Y284-F385 HydrophobicContact CG-CZ 4.38Å; Y284-L454 HydrophobicContact CD1-CD1 3.23Å; Y284-L454 HydrophobicContact CE1-CD1 3.22Å; Y284-L454 HydrophobicContact CG-CD1 3.95Å
285L98.8Very high98.4Very high1 Ų123.6 Ų23.61%0.00513%0.132CC..Hα-helixtrans-61.8-49.2177.2-69.8-177.8000111.8L281 L282 T287 N288 A291 L292 V295 V325 V436 L440L281-L285 HydrophobicContact CD2-CD1 3.52Å; L281-L285 HydrophobicContact CD2-CG 4.06Å; L281-L285 WeakPolarHBondContact O-CG 3.49Å; L281-L285 PolarHBondContact O-N 3.12Å; L282-L285 PolarHBondContact O-N 3.03Å; L285-T287 PolarHBondContact O-N 2.9Å; L285-N288 CarbonylContact O-C 3.49Å; L285-N288 PolarHBondContact O-N 2.8Å; L285-N288 VanDerWaalsContact O-O 3.06Å; L285-A291 HydrophobicContact CD2-CB 3.83Å; L285-L292 HydrophobicContact CB-CB 4.34Å; L285-L292 HydrophobicContact CB-CD1 4.09Å; L285-L292 WeakPolarHBondContact O-CB 3.36Å; L285-V295 HydrophobicContact CD1-CB 4.47Å; L285-V295 HydrophobicContact CD1-CG1 4.36Å; L285-V295 HydrophobicContact CD1-CG2 4.39Å; L285-V295 HydrophobicContact CD2-CG2 3.93Å; L285-V325 HydrophobicContact CD2-CG1 3.89Å; L285-V325 HydrophobicContact CD2-CG2 4.2Å; L285-V325 HydrophobicContact CG-CG1 4.25Å; L285-V436 HydrophobicContact CD1-CG1 4.33Å; L285-L440 HydrophobicContact CD1-CD1 4.1Å
286L98.4Very high98.3Very high20 Ų2027.1 Ų27.111%0.10515%0.147CC..Hα-helixtrans-64.6-27.9-177.8-69.6171.5000113.1L158 L282 L292 L445 L447 V475L158-L286 HydrophobicContact CD2-CD1 4.01Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 VanDerWaalsContact O-CG 3.26Å; L282-L286 WeakPolarHBondContact O-CG 3.32Å; L282-L286 PolarHBondContact O-N 2.81Å; L286-L292 HydrophobicContact CD2-CD2 4.35Å; L286-L445 HydrophobicContact CD1-CD2 4.13Å; L286-L445 HydrophobicContact CD1-CG 4.22Å; L286-L445 HydrophobicContact CD2-CD2 4.43Å; L286-L445 HydrophobicContact CD2-CG 4.24Å; L286-L447 HydrophobicContact CB-CD1 4.44Å; L286-L447 HydrophobicContact CB-CD2 3.89Å; L286-L447 HydrophobicContact CB-CG 4.06Å; L286-L447 HydrophobicContact CD1-CD2 4.11Å; L286-V475 HydrophobicContact CD1-CG1 3.79Å
287T98Very high98.1Very high36 Ų3635 Ų3522%0.22118%0.176CC..THydrogen-bonded Turntrans-92.4-0.7175.955.60000113.5G283 Y284 L285 L447 L454G283-T287 WeakPolarHBondContact O-CB 3.23Å; G283-T287 WeakPolarHBondContact O-CG2 3.42Å; G283-T287 PolarHBondContact O-N 2.76Å; G283-T287 VanDerWaalsContact O-N 3.12Å; G283-T287 PolarHBondContact O-OG1 2.83Å; Y284-T287 PolarHBondContact O-N 2.97Å; Y284-T287 PolarHBondContact O-OG1 2.82Å; L285-T287 PolarHBondContact O-N 2.9Å; T287-L447 HydrophobicContact CG2-CD1 4.13Å; T287-L454 HydrophobicContact CG2-CG 4.46Å
288N98.2Very high98Very high53 Ų5335.5 Ų35.528%0.28318%0.178SC..  trans-133.787.9179-67.1-96.1000110.4Y284 L285 E290 A291 L292 F385Y284-N288 VanDerWaalsContact O-CB 3.25Å; Y284-N288 WeakPolarHBondContact O-CB 3.37Å; Y284-N288 PolarHBondContact O-N 2.75Å; Y284-N288 VanDerWaalsContact O-N 3.08Å; Y284-N288 PolarHBondContact O-ND2 2.85Å; L285-N288 CarbonylContact O-C 3.49Å; L285-N288 PolarHBondContact O-N 2.8Å; L285-N288 VanDerWaalsContact O-O 3.06Å; N288-E290 VanDerWaalsContact C-N 3.27Å; N288-E290 PolarHBondContact O-N 2.86Å; N288-E290 VanDerWaalsContact O-N 3.15Å; N288-A291 HydrophobicContact CB-CB 3.95Å; N288-A291 WeakPolarHBondContact O-CB 3.49Å; N288-A291 PolarHBondContact O-N 3.29Å; N288-L292 PolarHBondContact O-N 2.74Å; N288-F385 HydrophobicContact CB-CD1 4.39Å; N288-F385 HydrophobicContact CB-CE1 4.37Å
289P96.6Very high97.7Very high97 Ų9735.6 Ų35.663%0.6318%0.179SC*.Hα-helixtrans-56-34.5-173.4-28.735.6000115.2T293P289-T293 VanDerWaalsContact O-CB 3.31Å; P289-T293 WeakPolarHBondContact O-CB 3.13Å; P289-T293 PolarHBondContact O-N 3.01Å; P289-T293 PolarHBondContact O-OG1 3.14Å
290E98.2Very high97.2Very high143 Ų14336.9 Ų36.967%0.66819%0.192SC*.Hα-helixtrans-63.4-46.3175.9-172.8-174.6176.700111.3N288 T293 A294 F387N288-E290 VanDerWaalsContact C-N 3.27Å; N288-E290 PolarHBondContact O-N 2.86Å; N288-E290 VanDerWaalsContact O-N 3.15Å; E290-T293 PolarHBondContact O-N 3.28Å; E290-A294 WeakPolarHBondContact O-CB 3.16Å; E290-A294 PolarHBondContact O-N 2.92Å; E290-F387 HydrophobicContact CG-CE1 3.92Å; E290-F387 HydrophobicContact CG-CZ 4.29Å
291A98.5Very high96.6Very high1 Ų142 Ų421%0.00822%0.217CC..Hα-helixtrans-64.4-45.3178.600000111.4L285 N288 T293 A294 V295 F385 F387L285-A291 HydrophobicContact CD2-CB 3.83Å; N288-A291 HydrophobicContact CB-CB 3.95Å; N288-A291 WeakPolarHBondContact O-CB 3.49Å; N288-A291 PolarHBondContact O-N 3.29Å; A291-T293 VanDerWaalsContact C-N 3.34Å; A291-T293 PolarHBondContact O-N 3.25Å; A291-A294 PolarHBondContact O-N 3.49Å; A291-V295 WeakPolarHBondContact O-CG2 3.43Å; A291-V295 PolarHBondContact O-N 3.38Å; A291-F385 HydrophobicContact CB-CE1 3.97Å; A291-F387 HydrophobicContact CB-CB 3.5Å; A291-F387 HydrophobicContact CB-CD1 3.97Å; A291-F387 HydrophobicContact CB-CD2 4.43Å; A291-F387 HydrophobicContact CB-CG 3.72Å
292L98.4Very high95.8Very high24 Ų2442.8 Ų42.813%0.12622%0.22CC..Hα-helixtrans-60-45176.7-179.560.9000111.7L285 L286 N288 V295 K296 L440L285-L292 HydrophobicContact CB-CB 4.34Å; L285-L292 HydrophobicContact CB-CD1 4.09Å; L285-L292 WeakPolarHBondContact O-CB 3.36Å; L286-L292 HydrophobicContact CD2-CD2 4.35Å; N288-L292 PolarHBondContact O-N 2.74Å; L292-V295 PolarHBondContact O-N 3.15Å; L292-K296 HydrophobicContact CD1-CD 4.31Å; L292-K296 HydrophobicContact CD1-CG 4.23Å; L292-K296 HydrophobicContact CG-CD 4.25Å; L292-K296 WeakPolarHBondContact O-CB 3.24Å; L292-K296 WeakPolarHBondContact O-CG 3.4Å; L292-K296 PolarHBondContact O-N 3.2Å; L292-L440 HydrophobicContact CD1-CD1 4.03Å; L292-L440 HydrophobicContact CD1-CD2 3.89Å
293T98.1Very high94.8Very high89 Ų8944.4 Ų44.455%0.54623%0.231SC..Hα-helixtrans-61.3-44.2177-61.60000111.4P289 E290 A291 V295 K296 R297P289-T293 VanDerWaalsContact O-CB 3.31Å; P289-T293 WeakPolarHBondContact O-CB 3.13Å; P289-T293 PolarHBondContact O-N 3.01Å; P289-T293 PolarHBondContact O-OG1 3.14Å; E290-T293 PolarHBondContact O-N 3.28Å; A291-T293 VanDerWaalsContact C-N 3.34Å; A291-T293 PolarHBondContact O-N 3.25Å; T293-V295 PolarHBondContact O-N 2.82Å; T293-K296 PolarHBondContact O-N 2.92Å; T293-R297 WeakPolarHBondContact O-CB 3.17Å; T293-R297 PolarHBondContact O-N 3.25Å
294A97.9Very high93.5Very high7 Ų751.4 Ų51.46%0.05826%0.264CS..Hα-helixtrans-62.2-44.1179.300000112.2E290 A291 R297 E298 V321 F387E290-A294 WeakPolarHBondContact O-CB 3.16Å; E290-A294 PolarHBondContact O-N 2.92Å; A291-A294 PolarHBondContact O-N 3.49Å; A294-R297 PolarHBondContact O-N 2.81Å; A294-E298 PolarHBondContact O-N 2.9Å; A294-E298 VanDerWaalsContact O-N 3.09Å; A294-V321 HydrophobicContact CB-CG1 3.83Å; A294-F387 HydrophobicContact CB-CD2 4.36Å; A294-F387 HydrophobicContact CB-CE2 3.76Å; A294-F387 HydrophobicContact CB-CZ 4.3Å
295V97.9Very high91.9Very high0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-68.2-45.2176.7173.10000111.7L285 A291 L292 T293 R297 E298 F299 V321 F322 V325 L440L285-V295 HydrophobicContact CD1-CB 4.47Å; L285-V295 HydrophobicContact CD1-CG1 4.36Å; L285-V295 HydrophobicContact CD1-CG2 4.39Å; L285-V295 HydrophobicContact CD2-CG2 3.93Å; A291-V295 WeakPolarHBondContact O-CG2 3.43Å; A291-V295 PolarHBondContact O-N 3.38Å; L292-V295 PolarHBondContact O-N 3.15Å; T293-V295 PolarHBondContact O-N 2.82Å; V295-R297 VanDerWaalsContact C-N 3.27Å; V295-R297 PolarHBondContact O-N 2.84Å; V295-E298 PolarHBondContact O-N 3.44Å; V295-F299 HydrophobicContact CG1-CD2 3.88Å; V295-F299 HydrophobicContact CG1-CE1 4.42Å; V295-F299 HydrophobicContact CG1-CE2 3.65Å; V295-F299 HydrophobicContact CG1-CG 4.38Å; V295-F299 HydrophobicContact CG1-CZ 3.96Å; V295-F299 WeakPolarHBondContact O-CG 3.42Å; V295-F299 PolarHBondContact O-N 3.37Å; V295-V321 HydrophobicContact CG2-CG1 4.08Å; V295-F322 HydrophobicContact CG1-CD2 4.37Å; V295-V325 HydrophobicContact CG2-CG2 3.82Å; V295-L440 HydrophobicContact CG1-CD1 4Å
296K96.1Very high90Very high75 Ų7557.1 Ų57.133%0.32630%0.296SS..Hα-helixtrans-58.7-39.6176.5-79.6-174.7174.8-176.70111.6L292 T293 G300L292-K296 HydrophobicContact CD1-CD 4.31Å; L292-K296 HydrophobicContact CD1-CG 4.23Å; L292-K296 HydrophobicContact CG-CD 4.25Å; L292-K296 WeakPolarHBondContact O-CB 3.24Å; L292-K296 WeakPolarHBondContact O-CG 3.4Å; L292-K296 PolarHBondContact O-N 3.2Å; T293-K296 PolarHBondContact O-N 2.92Å; K296-G300 PolarHBondContact O-N 2.93Å
297R95.2Very high88Confident164 Ų16461.4 Ų61.462%0.61933%0.328SS*.Hα-helixtrans-63.8-47.3175.6-179.217960.5-176.7-3.1111.9T293 A294 V295 F299 G300 Q301T293-R297 WeakPolarHBondContact O-CB 3.17Å; T293-R297 PolarHBondContact O-N 3.25Å; A294-R297 PolarHBondContact O-N 2.81Å; V295-R297 VanDerWaalsContact C-N 3.27Å; V295-R297 PolarHBondContact O-N 2.84Å; R297-F299 VanDerWaalsContact C-N 3.34Å; R297-F299 PolarHBondContact O-N 3.38Å; R297-G300 PolarHBondContact O-N 2.97Å; R297-Q301 WeakPolarHBondContact O-CG 3.49Å; R297-Q301 PolarHBondContact O-N 2.84Å
298E94.8Very high85.8Confident15 Ų1564.2 Ų64.27%0.0735%0.349CS..Hα-helixtrans-59.9-44.5176.9-176.5175.4-107.500111.4A294 V295 Q301 I302 T319 P320 V321 F322A294-E298 PolarHBondContact O-N 2.9Å; A294-E298 VanDerWaalsContact O-N 3.09Å; V295-E298 PolarHBondContact O-N 3.44Å; E298-Q301 PolarHBondContact O-N 3.38Å; E298-I302 PolarHBondContact O-N 2.96Å; E298-T319 VanDerWaalsContact CD-CA 3.43Å; E298-T319 WeakPolarHBondContact OE1-CA 3.34Å; E298-T319 WeakPolarHBondContact OE2-CA 3.42Å; E298-T319 VanDerWaalsContact OE2-CB 3.32Å; E298-T319 WeakPolarHBondContact OE2-CB 3.4Å; E298-P320 WeakPolarHBondContact OE1-CD 3.34Å; E298-P320 WeakPolarHBondContact OE1-CG 3.35Å; E298-V321 WeakPolarHBondContact OE1-CB 3.44Å; E298-V321 WeakPolarHBondContact OE1-CG2 3.34Å; E298-V321 PolarHBondContact OE1-N 3.49Å; E298-F322 WeakPolarHBondContact OE2-CB 3.3Å; E298-F322 PolarHBondContact OE2-N 2.88Å
299F93Very high83.2Confident1 Ų165 Ų650%0.00437%0.37CS..Hα-helixtrans-68.2-36.1176.8-70.7-8.6000113.4V295 R297 Q301 I302 S303 T319 F322 R433 V436 Y437 L440 T441V295-F299 HydrophobicContact CG1-CD2 3.88Å; V295-F299 HydrophobicContact CG1-CE1 4.42Å; V295-F299 HydrophobicContact CG1-CE2 3.65Å; V295-F299 HydrophobicContact CG1-CG 4.38Å; V295-F299 HydrophobicContact CG1-CZ 3.96Å; V295-F299 WeakPolarHBondContact O-CG 3.42Å; V295-F299 PolarHBondContact O-N 3.37Å; R297-F299 VanDerWaalsContact C-N 3.34Å; R297-F299 PolarHBondContact O-N 3.38Å; F299-Q301 VanDerWaalsContact C-N 3.32Å; F299-Q301 PolarHBondContact O-N 3.04Å; F299-I302 HydrophobicContact CD1-CD1 4.21Å; F299-I302 WeakPolarHBondContact O-CB 3.16Å; F299-I302 PolarHBondContact O-N 3.32Å; F299-I302 VanDerWaalsContact O-N 3.17Å; F299-S303 PolarHBondContact O-N 2.92Å; F299-S303 PolarHBondContact O-OG 3.19Å; F299-T319 HydrophobicContact CD1-CG2 4.5Å; F299-T319 HydrophobicContact CE1-CG2 4.11Å; F299-F322 HydrophobicContact CE1-CB 4.02Å; F299-F322 HydrophobicContact CE1-CD2 4.16Å; F299-F322 HydrophobicContact CE1-CG 4.16Å; F299-F322 HydrophobicContact CE2-CD2 4.31Å; F299-F322 HydrophobicContact CZ-CB 4.18Å; F299-F322 AromaticContact CZ-CD2 3.46Å; F299-F322 HydrophobicContact CZ-CD2 3.46Å; F299-F322 VanDerWaalsContact CZ-CD2 3.46Å; F299-F322 HydrophobicContact CZ-CE2 4.08Å; F299-F322 AromaticContact CZ-CG 3.91Å; F299-F322 HydrophobicContact CZ-CG 3.91Å; F299-R433 HydrophobicContact CZ-CG 4.45Å; F299-V436 HydrophobicContact CE2-CG1 4.09Å; F299-Y437 HydrophobicContact CB-CD2 3.84Å; F299-Y437 HydrophobicContact CB-CE2 3.93Å; F299-Y437 AromaticContact CD1-CD2 3.93Å; F299-Y437 HydrophobicContact CD1-CD2 3.93Å; F299-Y437 AromaticContact CD2-CD2 3.81Å; F299-Y437 HydrophobicContact CD2-CD2 3.81Å; F299-Y437 HydrophobicContact CD2-CG 4.46Å; F299-Y437 HydrophobicContact CE1-CD2 4.37Å; F299-Y437 VanDerWaalsContact CE2-CA 3.45Å; F299-Y437 HydrophobicContact CE2-CD2 4.26Å; F299-Y437 AromaticContact CG-CD2 3.61Å; F299-Y437 HydrophobicContact CG-CD2 3.61Å; F299-Y437 HydrophobicContact CG-CE2 4.2Å; F299-L440 HydrophobicContact CE2-CD1 4.45Å; F299-T441 HydrophobicContact CB-CG2 4.28Å
300G89.1Confident80.7Confident28 Ų2863.3 Ų63.329%0.28936%0.358SS..Hα-helixtrans-62.6-36.8175.800000113.1K296 R297 I302 S303 Q304K296-G300 PolarHBondContact O-N 2.93Å; R297-G300 PolarHBondContact O-N 2.97Å; G300-I302 VanDerWaalsContact C-N 3.32Å; G300-I302 PolarHBondContact O-N 2.72Å; G300-S303 PolarHBondContact O-N 3.09Å; G300-Q304 WeakPolarHBondContact O-CG 3.39Å; G300-Q304 PolarHBondContact O-N 3.35Å; G300-Q304 VanDerWaalsContact O-N 3.12Å
301Q86.8Confident78.5Confident110 Ų11061 Ų6151%0.51436%0.355SS..Hα-helixtrans-62.9-39.7173.8-69.7171.8-11.500111.5R297 E298 F299 Q304 M305R297-Q301 WeakPolarHBondContact O-CG 3.49Å; R297-Q301 PolarHBondContact O-N 2.84Å; E298-Q301 PolarHBondContact O-N 3.38Å; F299-Q301 VanDerWaalsContact C-N 3.32Å; F299-Q301 PolarHBondContact O-N 3.04Å; Q301-Q304 PolarHBondContact O-N 3.35Å; Q301-M305 WeakPolarHBondContact O-CG 3.45Å; Q301-M305 PolarHBondContact O-N 2.72Å; Q301-M305 VanDerWaalsContact O-N 3.15Å
302I81.7Confident76.4Confident15 Ų1564.7 Ų64.78%0.07737%0.374CS..Hα-helixtrans-64.9-43.5176.1-63.8167.7000110.9E298 F299 G300 Q304 M305 A306 L312 T317 T319 Y437E298-I302 PolarHBondContact O-N 2.96Å; F299-I302 HydrophobicContact CD1-CD1 4.21Å; F299-I302 WeakPolarHBondContact O-CB 3.16Å; F299-I302 PolarHBondContact O-N 3.32Å; F299-I302 VanDerWaalsContact O-N 3.17Å; G300-I302 VanDerWaalsContact C-N 3.32Å; G300-I302 PolarHBondContact O-N 2.72Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.28Å; I302-M305 PolarHBondContact O-N 2.92Å; I302-A306 PolarHBondContact O-N 3.23Å; I302-L312 WeakPolarHBondContact CG2-O 3.48Å; I302-T317 HydrophobicContact CB-CG2 4.41Å; I302-T317 HydrophobicContact CD1-CG2 3.45Å; I302-T317 VanDerWaalsContact CD1-CG2 3.45Å; I302-T317 HydrophobicContact CG1-CG2 3.58Å; I302-T317 HydrophobicContact CG2-CG2 3.95Å; I302-T319 HydrophobicContact CD1-CG2 3.48Å; I302-T319 VanDerWaalsContact CD1-CG2 3.48Å; I302-Y437 HydrophobicContact CG2-CE2 4.36Å
303S76.8Confident74.4Confident34 Ų3466.5 Ų66.524%0.23838%0.383CS..Hα-helixtrans-59.6-41.8177.8-52.80000112F299 G300 A306 S307 Y437F299-S303 PolarHBondContact O-N 2.92Å; F299-S303 PolarHBondContact O-OG 3.19Å; G300-S303 PolarHBondContact O-N 3.09Å; S303-A306 PolarHBondContact O-N 2.78Å; S303-S307 PolarHBondContact O-N 3.32Å; S303-S307 VanDerWaalsContact O-N 3.1Å; S303-S307 PolarHBondContact O-OG 3.14Å; S303-Y437 PolarHBondContact OG-OH 2.9Å
304Q72.3Confident72.2Confident147 Ų14766.4 Ų66.469%0.68738%0.379SS*.Hα-helixtrans-63.2-40.9176.5-70.3174.41.700112.3G300 Q301 I302 A306 S307G300-Q304 WeakPolarHBondContact O-CG 3.39Å; G300-Q304 PolarHBondContact O-N 3.35Å; G300-Q304 VanDerWaalsContact O-N 3.12Å; Q301-Q304 PolarHBondContact O-N 3.35Å; I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.28Å; Q304-A306 VanDerWaalsContact C-N 3.31Å; Q304-A306 PolarHBondContact O-N 3.15Å; Q304-S307 PolarHBondContact O-N 3.44Å
305M64.4Low70.1Confident121 Ų12173.7 Ų73.760%0.59641%0.41SS*.Hα-helixtrans-66.7-34.1174.7-67178.172.500111.9Q301 I302 S308Q301-M305 WeakPolarHBondContact O-CG 3.45Å; Q301-M305 PolarHBondContact O-N 2.72Å; Q301-M305 VanDerWaalsContact O-N 3.15Å; I302-M305 PolarHBondContact O-N 2.92Å; M305-S308 WeakPolarHBondContact O-CB 3.4Å; M305-S308 PolarHBondContact O-N 2.94Å; M305-S308 VanDerWaalsContact O-N 3.16Å; M305-S308 PolarHBondContact O-OG 2.95Å
306A59.6Low68.1Low19 Ų1977.7 Ų77.716%0.15744%0.438CS..Hα-helixtrans-70.8-35179.100000113.5I302 S303 Q304 S308 G309 T310 L312I302-A306 PolarHBondContact O-N 3.23Å; S303-A306 PolarHBondContact O-N 2.78Å; Q304-A306 VanDerWaalsContact C-N 3.31Å; Q304-A306 PolarHBondContact O-N 3.15Å; A306-S308 PolarHBondContact O-N 3.03Å; A306-S308 VanDerWaalsContact O-N 3.11Å; A306-G309 PolarHBondContact O-N 3.3Å; A306-T310 WeakPolarHBondContact CA-O 3.28Å; A306-T310 WeakPolarHBondContact CB-O 3.41Å; A306-L312 HydrophobicContact CB-CB 4.39Å; A306-L312 HydrophobicContact CB-CD2 3.5Å; A306-L312 VanDerWaalsContact CB-CD2 3.5Å; A306-L312 HydrophobicContact CB-CG 3.57Å
307S56.4Low66.8Low111 Ų11176.3 Ų76.378%0.77644%0.435SS*.THydrogen-bonded Turntrans-60.8-15.5170.6-58.60000113.5S303 Q304 G309S303-S307 PolarHBondContact O-N 3.32Å; S303-S307 VanDerWaalsContact O-N 3.1Å; S303-S307 PolarHBondContact O-OG 3.14Å; Q304-S307 PolarHBondContact O-N 3.44Å; S307-G309 VanDerWaalsContact C-N 3.35Å
308S51.4Low66.4Low94 Ų9477.2 Ų77.266%0.65744%0.444SS*.THydrogen-bonded Turntrans-89.510.1172.975.20000114.5M305 A306M305-S308 WeakPolarHBondContact O-CB 3.4Å; M305-S308 PolarHBondContact O-N 2.94Å; M305-S308 VanDerWaalsContact O-N 3.16Å; M305-S308 PolarHBondContact O-OG 2.95Å; A306-S308 PolarHBondContact O-N 3.03Å; A306-S308 VanDerWaalsContact O-N 3.11Å
309G43.1Very low66.3Low71 Ų7176.6 Ų76.673%0.73244%0.441SS*.THydrogen-bonded Turntrans101.98.5173.700000115.6A306 S307A306-G309 PolarHBondContact O-N 3.3Å; S307-G309 VanDerWaalsContact C-N 3.35Å
310T45.2Very low66.4Low60 Ų6078.4 Ų78.437%0.36845%0.453SS..  trans-94.8132176.3-50.10000110.3A306 L312A306-T310 WeakPolarHBondContact CA-O 3.28Å; A306-T310 WeakPolarHBondContact CB-O 3.41Å; T310-L312 PolarHBondContact O-N 3.24Å
311P50.9Low66.9Low94 Ų9478.1 Ų78.161%0.6145%0.446SS*.  trans-56.1136.3175.7-2433.1000111.8M313 D314P311-M313 PolarHBondContact O-N 3.06Å; P311-D314 PolarHBondContact O-N 2.9Å
312L54.7Low67.4Low79 Ų7972.9 Ų72.941%0.41442%0.421SS..THydrogen-bonded Turntrans-53.4-14.5-166.9-84.9147.3000116.4I302 A306 T310 Y437I302-L312 WeakPolarHBondContact CG2-O 3.48Å; A306-L312 HydrophobicContact CB-CB 4.39Å; A306-L312 HydrophobicContact CB-CD2 3.5Å; A306-L312 VanDerWaalsContact CB-CD2 3.5Å; A306-L312 HydrophobicContact CB-CG 3.57Å; T310-L312 PolarHBondContact O-N 3.24Å; L312-Y437 HydrophobicContact CD2-CE1 4.12Å; L312-Y437 WeakPolarHBondContact CD2-OH 3.15Å
313M56.7Low68.2Low62 Ų6274.9 Ų74.931%0.30543%0.432SS..THydrogen-bonded Turntrans-157.765175.6-61.8-172.378.100111.3P311 R433 K434 Y437P311-M313 PolarHBondContact O-N 3.06Å; M313-R433 HydrophobicContact CE-CB 4.02Å; M313-R433 HydrophobicContact CE-CG 3.44Å; M313-R433 VanDerWaalsContact CE-CG 3.44Å; M313-K434 HydrophobicContact SD-CB 4.05Å; M313-K434 HydrophobicContact SD-CD 3.54Å; M313-K434 VanDerWaalsContact SD-CD 3.54Å; M313-K434 HydrophobicContact SD-CG 4.39Å; M313-Y437 HydrophobicContact SD-CG 4.42Å
314D53.3Low69.2Low87 Ų8773.4 Ų73.447%0.46542%0.422SS..  trans-73.2160.1168-168.716.7000111.3P311 S316 T317P311-D314 PolarHBondContact O-N 2.9Å; D314-S316 PolarHBondContact O-N 3.35Å; D314-T317 PolarHBondContact O-N 3.02Å; D314-T317 PolarHBondContact O-OG1 2.7Å
315K52.4Low70.5Confident160 Ų16066.4 Ų66.470%0.69639%0.389SS*.THydrogen-bonded Turntrans-50-19.2179.9-77.4179.9179.4167.60114.9S128S128-K315 WeakPolarHBondContact OG-CE 3.04Å; S128-K315 PolarHBondContact OG-NZ 3.43Å
316S56Low72.1Confident84 Ų8461 Ų6159%0.58736%0.362SS*.THydrogen-bonded Turntrans-85.8-14.6-179.462.20000114.2D314 K318D314-S316 PolarHBondContact O-N 3.35Å; S316-K318 PolarHBondContact O-N 2.66Å
317T69.7Low74Confident46 Ų4661.5 Ų61.528%0.28236%0.362SS..  trans-74.2110.2-174.7-47.60000110.1I302 D314I302-T317 HydrophobicContact CB-CG2 4.41Å; I302-T317 HydrophobicContact CD1-CG2 3.45Å; I302-T317 VanDerWaalsContact CD1-CG2 3.45Å; I302-T317 HydrophobicContact CG1-CG2 3.58Å; I302-T317 HydrophobicContact CG2-CG2 3.95Å; D314-T317 PolarHBondContact O-N 3.02Å; D314-T317 PolarHBondContact O-OG1 2.7Å
318K85.3Confident76Confident183 Ų18356.2 Ų56.280%0.79633%0.325SS*.  trans-88.8130.9177.8-64-176.8-177.6176.20109.8S316 P320S316-K318 PolarHBondContact O-N 2.66Å; K318-P320 VanDerWaalsContact C-CD 3.44Å
319T93.7Very high78.3Confident2 Ų251.8 Ų51.81%0.01229%0.293CS..  trans-125.361.8177.354.80000110.9E298 F299 I302 V321 F322 D323 R433E298-T319 VanDerWaalsContact CD-CA 3.43Å; E298-T319 WeakPolarHBondContact OE1-CA 3.34Å; E298-T319 WeakPolarHBondContact OE2-CA 3.42Å; E298-T319 VanDerWaalsContact OE2-CB 3.32Å; E298-T319 WeakPolarHBondContact OE2-CB 3.4Å; F299-T319 HydrophobicContact CD1-CG2 4.5Å; F299-T319 HydrophobicContact CE1-CG2 4.11Å; I302-T319 HydrophobicContact CD1-CG2 3.48Å; I302-T319 VanDerWaalsContact CD1-CG2 3.48Å; T319-V321 VanDerWaalsContact C-N 3.26Å; T319-V321 PolarHBondContact O-N 3.33Å; T319-F322 PolarHBondContact O-N 3.09Å; T319-D323 VanDerWaalsContact O-CB 3.32Å; T319-D323 WeakPolarHBondContact O-CB 3.34Å; T319-D323 PolarHBondContact O-N 3.25Å; T319-D323 PolarHBondContact OG1-OD1 2.85Å; T319-R433 PolarHBondContact OG1-NE 2.98Å
320P96.1Very high80.9Confident39 Ų3948.6 Ų48.625%0.25326%0.26SS..Hα-helixtrans-56.3-35.6-174.323.8-35.2000113.8E298 K318 D323 S324 L391 V397E298-P320 WeakPolarHBondContact OE1-CD 3.34Å; E298-P320 WeakPolarHBondContact OE1-CG 3.35Å; K318-P320 VanDerWaalsContact C-CD 3.44Å; P320-D323 PolarHBondContact O-N 2.94Å; P320-S324 WeakPolarHBondContact O-CB 3.34Å; P320-S324 PolarHBondContact O-N 3.48Å; P320-L391 HydrophobicContact CB-CD2 4.19Å; P320-V397 HydrophobicContact CB-CG2 4.46Å
321V98.3Very high83.5Confident23 Ų2345.7 Ų45.714%0.13924%0.242CC..Hα-helixtrans-68.5-50.3178.5-179.40000110.3A294 V295 E298 T319 D323 S324 V325 F387 L391A294-V321 HydrophobicContact CB-CG1 3.83Å; V295-V321 HydrophobicContact CG2-CG1 4.08Å; E298-V321 WeakPolarHBondContact OE1-CB 3.44Å; E298-V321 WeakPolarHBondContact OE1-CG2 3.34Å; E298-V321 PolarHBondContact OE1-N 3.49Å; T319-V321 VanDerWaalsContact C-N 3.26Å; T319-V321 PolarHBondContact O-N 3.33Å; V321-D323 VanDerWaalsContact C-N 3.29Å; V321-D323 PolarHBondContact O-N 2.99Å; V321-S324 PolarHBondContact O-N 3.37Å; V321-V325 WeakPolarHBondContact O-CG2 3.24Å; V321-V325 PolarHBondContact O-N 2.96Å; V321-F387 HydrophobicContact CG1-CD2 4.21Å; V321-F387 HydrophobicContact CG1-CE2 4.29Å; V321-L391 HydrophobicContact CG2-CD1 4.33Å
322F97.9Very high85.8Confident0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-59.2-42174.3176.4-90.3000111.8L281 V295 E298 F299 T319 S324 V325 L326 I432 R433 V436L281-F322 HydrophobicContact CD1-CE2 3.77Å; L281-F322 HydrophobicContact CD1-CZ 3.85Å; L281-F322 HydrophobicContact CD2-CE2 4.28Å; V295-F322 HydrophobicContact CG1-CD2 4.37Å; E298-F322 WeakPolarHBondContact OE2-CB 3.3Å; E298-F322 PolarHBondContact OE2-N 2.88Å; F299-F322 HydrophobicContact CE1-CB 4.02Å; F299-F322 HydrophobicContact CE1-CD2 4.16Å; F299-F322 HydrophobicContact CE1-CG 4.16Å; F299-F322 HydrophobicContact CE2-CD2 4.31Å; F299-F322 HydrophobicContact CZ-CB 4.18Å; F299-F322 AromaticContact CZ-CD2 3.46Å; F299-F322 HydrophobicContact CZ-CD2 3.46Å; F299-F322 VanDerWaalsContact CZ-CD2 3.46Å; F299-F322 HydrophobicContact CZ-CE2 4.08Å; F299-F322 AromaticContact CZ-CG 3.91Å; F299-F322 HydrophobicContact CZ-CG 3.91Å; T319-F322 PolarHBondContact O-N 3.09Å; F322-S324 VanDerWaalsContact C-N 3.31Å; F322-S324 PolarHBondContact O-N 3.32Å; F322-V325 WeakPolarHBondContact O-CB 3.49Å; F322-V325 PolarHBondContact O-N 3.33Å; F322-L326 HydrophobicContact CE1-CB 4.19Å; F322-L326 HydrophobicContact CE1-CD2 3.98Å; F322-L326 HydrophobicContact CZ-CB 4.48Å; F322-L326 HydrophobicContact CZ-CD2 4.48Å; F322-L326 WeakPolarHBondContact O-CB 3.44Å; F322-L326 PolarHBondContact O-N 3.33Å; F322-I432 HydrophobicContact CZ-CG2 4.2Å; F322-R433 HydrophobicContact CD1-CB 4.17Å; F322-R433 HydrophobicContact CD1-CG 3.73Å; F322-R433 HydrophobicContact CE1-CB 3.49Å; F322-R433 VanDerWaalsContact CE1-CB 3.49Å; F322-R433 HydrophobicContact CE1-CG 3.58Å; F322-R433 HydrophobicContact CG-CG 4.29Å; F322-R433 HydrophobicContact CZ-CB 3.78Å; F322-R433 HydrophobicContact CZ-CG 4.02Å; F322-V436 HydrophobicContact CE2-CB 3.9Å; F322-V436 HydrophobicContact CE2-CG1 3.99Å; F322-V436 HydrophobicContact CE2-CG2 4.16Å
323D97.6Very high87.9Confident57 Ų5737.5 Ų37.531%0.30519%0.194SC..Hα-helixtrans-63.4-39.7-179.6-68.5-18.8000110.6T319 P320 V321 L326 E327 R433T319-D323 VanDerWaalsContact O-CB 3.32Å; T319-D323 WeakPolarHBondContact O-CB 3.34Å; T319-D323 PolarHBondContact O-N 3.25Å; T319-D323 PolarHBondContact OG1-OD1 2.85Å; P320-D323 PolarHBondContact O-N 2.94Å; V321-D323 VanDerWaalsContact C-N 3.29Å; V321-D323 PolarHBondContact O-N 2.99Å; D323-L326 PolarHBondContact O-N 3.44Å; D323-E327 WeakPolarHBondContact O-CB 3.3Å; D323-E327 PolarHBondContact O-N 2.98Å; D323-R433 IonicContact OD1-CZ 3.46Å; D323-R433 IonicContact OD1-NE 2.78Å; D323-R433 IonicContact OD1-NH2 2.6Å; D323-R433 PolarHBondContact OD1-NH2 3.32Å
324S98.8Very high89.9Confident3 Ų334.7 Ų34.72%0.02118%0.18CC..Hα-helixtrans-66.2-42.8173.1178.30000112.5P320 V321 F322 L326 E327 E328 F387 F390P320-S324 WeakPolarHBondContact O-CB 3.34Å; P320-S324 PolarHBondContact O-N 3.48Å; V321-S324 PolarHBondContact O-N 3.37Å; F322-S324 VanDerWaalsContact C-N 3.31Å; F322-S324 PolarHBondContact O-N 3.32Å; S324-L326 PolarHBondContact O-N 3.41Å; S324-E327 PolarHBondContact O-N 2.99Å; S324-E328 WeakPolarHBondContact O-CB 3.36Å; S324-E328 PolarHBondContact O-N 3.42Å; S324-F387 CarbonylContact C-O 3.53Å; S324-F387 WeakPolarHBondContact CB-O 3.42Å; S324-F387 PolarHBondContact OG-O 3.41Å; S324-F390 PolarHBondContact OG-N 3.22Å
325V98.9Very high92Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-59.5-45.4174.6163.40000111.4L281 L285 V295 V321 F322 E328 T329 F385 F387L281-V325 HydrophobicContact CD1-CG1 4.29Å; L281-V325 HydrophobicContact CD2-CG1 4.14Å; L281-V325 HydrophobicContact CG-CG1 3.87Å; L285-V325 HydrophobicContact CD2-CG1 3.89Å; L285-V325 HydrophobicContact CD2-CG2 4.2Å; L285-V325 HydrophobicContact CG-CG1 4.25Å; V295-V325 HydrophobicContact CG2-CG2 3.82Å; V321-V325 WeakPolarHBondContact O-CG2 3.24Å; V321-V325 PolarHBondContact O-N 2.96Å; F322-V325 WeakPolarHBondContact O-CB 3.49Å; F322-V325 PolarHBondContact O-N 3.33Å; V325-E328 PolarHBondContact O-N 3Å; V325-T329 WeakPolarHBondContact O-CB 3.32Å; V325-T329 PolarHBondContact O-N 3.47Å; V325-T329 PolarHBondContact O-OG1 2.8Å; V325-F385 HydrophobicContact CG1-CZ 4.26Å; V325-F385 HydrophobicContact CG2-CZ 4.49Å; V325-F387 HydrophobicContact CG2-CB 3.77Å; V325-F387 HydrophobicContact CG2-CD2 4.43Å
326L98.9Very high94.1Very high6 Ų624 Ų243%0.03113%0.132CC..Hα-helixtrans-65.5-45.5178.8174.461.1000110.5L281 F322 D323 S324 E328 T329 L330 I429 I432L281-L326 HydrophobicContact CD1-CB 4.01Å; L281-L326 HydrophobicContact CD1-CD1 3.85Å; F322-L326 HydrophobicContact CE1-CB 4.19Å; F322-L326 HydrophobicContact CE1-CD2 3.98Å; F322-L326 HydrophobicContact CZ-CB 4.48Å; F322-L326 HydrophobicContact CZ-CD2 4.48Å; F322-L326 WeakPolarHBondContact O-CB 3.44Å; F322-L326 PolarHBondContact O-N 3.33Å; D323-L326 PolarHBondContact O-N 3.44Å; S324-L326 PolarHBondContact O-N 3.41Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.42Å; L326-T329 WeakPolarHBondContact O-CB 3.28Å; L326-T329 PolarHBondContact O-N 2.78Å; L326-L330 HydrophobicContact CD1-CD1 4Å; L326-L330 HydrophobicContact CD1-CG 4.02Å; L326-L330 HydrophobicContact CG-CD1 4.03Å; L326-L330 HydrophobicContact CG-CG 4.44Å; L326-L330 WeakPolarHBondContact O-CB 3.49Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 3.44Å; L326-I429 HydrophobicContact CD2-CB 4.36Å; L326-I429 HydrophobicContact CD2-CG1 4.1Å; L326-I429 HydrophobicContact CD2-CG2 3.95Å; L326-I432 HydrophobicContact CD1-CD1 4.19Å; L326-I432 HydrophobicContact CD1-CG2 4.28Å
327E98.8Very high96.1Very high31 Ų3122.1 Ų22.115%0.14511%0.113CC..Hα-helixtrans-63.4-38.7178-164.164.7-131.500111.7D323 S324 L330 R331 F390 T412D323-E327 WeakPolarHBondContact O-CB 3.3Å; D323-E327 PolarHBondContact O-N 2.98Å; S324-E327 PolarHBondContact O-N 2.99Å; E327-L330 PolarHBondContact O-N 3.09Å; E327-R331 WeakPolarHBondContact O-CB 3.42Å; E327-R331 PolarHBondContact O-N 2.99Å; E327-F390 HydrophobicContact CB-CD1 4.49Å; E327-F390 HydrophobicContact CB-CD2 3.79Å; E327-F390 HydrophobicContact CB-CE2 4.02Å; E327-F390 HydrophobicContact CB-CG 4.05Å; E327-F390 HydrophobicContact CB-CZ 4.43Å; E327-F390 HydrophobicContact CG-CD1 3.87Å; E327-F390 HydrophobicContact CG-CD2 3.93Å; E327-F390 HydrophobicContact CG-CE1 3.77Å; E327-F390 HydrophobicContact CG-CE2 3.86Å; E327-F390 HydrophobicContact CG-CG 3.94Å; E327-F390 HydrophobicContact CG-CZ 3.76Å; E327-T412 HydrophobicContact CG-CG2 4.16Å; E327-T412 WeakPolarHBondContact OE1-CG2 3.5Å; E327-T412 PolarHBondContact OE1-OG1 2.78Å; E327-T412 VanDerWaalsContact OE1-OG1 3.05Å
328E98.9Very high97.3Very high0 Ų020.6 Ų20.60%010%0.103CC..Hα-helixtrans-66.8-41.2173.8179.967.5169.200112.8S324 V325 L326 L330 R331 L332 K384 F385 K386 R389 F390S324-E328 WeakPolarHBondContact O-CB 3.36Å; S324-E328 PolarHBondContact O-N 3.42Å; V325-E328 PolarHBondContact O-N 3Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.42Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 2.75Å; E328-R331 PolarHBondContact O-N 2.79Å; E328-R331 IonicContact OE1-CZ 2.98Å; E328-R331 IonicContact OE1-NE 2.68Å; E328-R331 IonicContact OE1-NH2 2.63Å; E328-R331 PolarHBondContact OE1-NH2 2.92Å; E328-R331 IonicContact OE2-CZ 3.32Å; E328-R331 IonicContact OE2-NE 3Å; E328-R331 PolarHBondContact OE2-NE 3.37Å; E328-R331 IonicContact OE2-NH2 2.84Å; E328-R331 PolarHBondContact OE2-NH2 2.92Å; E328-L332 HydrophobicContact CG-CD1 4.24Å; E328-L332 WeakPolarHBondContact O-CG 3.4Å; E328-L332 PolarHBondContact O-N 3.35Å; E328-L332 VanDerWaalsContact O-N 3.12Å; E328-K384 VanDerWaalsContact OE1-O 3.07Å; E328-F385 HydrophobicContact CB-CD2 4.32Å; E328-F385 HydrophobicContact CB-CE2 4.05Å; E328-F385 HydrophobicContact CG-CD2 3.46Å; E328-F385 VanDerWaalsContact CG-CD2 3.46Å; E328-F385 HydrophobicContact CG-CE2 3.67Å; E328-F385 HydrophobicContact CG-CG 4.28Å; E328-K386 WeakPolarHBondContact CG-O 3.22Å; E328-K386 PolarHBondContact OE1-N 3.13Å; E328-R389 IonicContact OE1-CZ 3.57Å; E328-R389 IonicContact OE1-NE 2.7Å; E328-R389 PolarHBondContact OE1-NE 3.4Å; E328-R389 IonicContact OE1-NH2 2.75Å; E328-R389 PolarHBondContact OE1-NH2 2.98Å; E328-R389 WeakPolarHBondContact OE2-CD 3.2Å; E328-R389 IonicContact OE2-NE 3.5Å; E328-R389 PolarHBondContact OE2-NE 3.03Å; E328-F390 HydrophobicContact CB-CD2 4.23Å; E328-F390 HydrophobicContact CB-CE2 4.02Å; E328-F390 WeakPolarHBondContact OE2-CE2 3.24Å
329T98.9Very high97.8Very high0 Ų012.4 Ų12.40%07%0.068CC..Hα-helixtrans-57.7-50.3173.8-60.80000110.1W280 L281 Y284 V325 L326 L332 T333W280-T329 HydrophobicContact CB-CG2 3.6Å; L281-T329 HydrophobicContact CB-CG2 3.97Å; Y284-T329 HydrophobicContact CD2-CG2 4.1Å; Y284-T329 HydrophobicContact CE2-CG2 4.22Å; V325-T329 WeakPolarHBondContact O-CB 3.32Å; V325-T329 PolarHBondContact O-N 3.47Å; V325-T329 PolarHBondContact O-OG1 2.8Å; L326-T329 WeakPolarHBondContact O-CB 3.28Å; L326-T329 PolarHBondContact O-N 2.78Å; T329-L332 PolarHBondContact O-N 3.24Å; T329-T333 WeakPolarHBondContact O-CB 3.28Å; T329-T333 PolarHBondContact O-N 3.09Å; T329-T333 VanDerWaalsContact O-N 3.1Å; T329-T333 PolarHBondContact O-OG1 2.94Å
330L98.9Very high97.8Very high4 Ų412.6 Ų12.62%0.0217%0.069CC..Hα-helixtrans-65.3-40.9-179.8-69.1174.5000111.8A277 L326 E327 E328 L332 T333 A334 P414 W415 M466A277-L330 HydrophobicContact CB-CD2 4.26Å; L326-L330 HydrophobicContact CD1-CD1 4Å; L326-L330 HydrophobicContact CD1-CG 4.02Å; L326-L330 HydrophobicContact CG-CD1 4.03Å; L326-L330 HydrophobicContact CG-CG 4.44Å; L326-L330 WeakPolarHBondContact O-CB 3.49Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 3.44Å; E327-L330 PolarHBondContact O-N 3.09Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 2.75Å; L330-L332 PolarHBondContact O-N 3.16Å; L330-T333 PolarHBondContact O-N 2.69Å; L330-A334 WeakPolarHBondContact O-CB 2.91Å; L330-A334 PolarHBondContact O-N 2.78Å; L330-P414 HydrophobicContact CB-CB 3.71Å; L330-P414 HydrophobicContact CB-CG 3.84Å; L330-P414 HydrophobicContact CD1-CB 4.23Å; L330-P414 HydrophobicContact CD1-CG 4.01Å; L330-P414 HydrophobicContact CD2-CB 4.39Å; L330-P414 HydrophobicContact CG-CB 4.34Å; L330-P414 HydrophobicContact CG-CG 4.49Å; L330-W415 HydrophobicContact CD1-CH2 4.37Å; L330-W415 HydrophobicContact CD1-CZ2 3.48Å; L330-W415 VanDerWaalsContact CD1-CZ2 3.48Å; L330-M466 HydrophobicContact CD2-CE 4.03Å; L330-M466 HydrophobicContact CD2-SD 3.64Å
331R98.9Very high97.8Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-53.7-43.5174.4-173-166.964.276.6-0.9111E327 E328 Q373 P382 K384 F390E327-R331 WeakPolarHBondContact O-CB 3.42Å; E327-R331 PolarHBondContact O-N 2.99Å; E328-R331 PolarHBondContact O-N 2.79Å; E328-R331 IonicContact OE1-CZ 2.98Å; E328-R331 IonicContact OE1-NE 2.68Å; E328-R331 IonicContact OE1-NH2 2.63Å; E328-R331 PolarHBondContact OE1-NH2 2.92Å; E328-R331 IonicContact OE2-CZ 3.32Å; E328-R331 IonicContact OE2-NE 3Å; E328-R331 PolarHBondContact OE2-NE 3.37Å; E328-R331 IonicContact OE2-NH2 2.84Å; E328-R331 PolarHBondContact OE2-NH2 2.92Å; R331-Q373 WeakPolarHBondContact CD-O 3.14Å; R331-Q373 HydrophobicContact CG-CB 3.78Å; R331-Q373 HydrophobicContact CG-CG 4.03Å; R331-Q373 WeakPolarHBondContact CG-O 3.06Å; R331-Q373 PolarHBondContact NH1-O 3.34Å; R331-Q373 PolarHBondContact O-NE2 3.39Å; R331-P382 VanDerWaalsContact CZ-O 3.25Å; R331-P382 PolarHBondContact NH1-O 2.82Å; R331-P382 PolarHBondContact NH2-O 2.82Å; R331-K384 PolarHBondContact NH2-O 2.87Å; R331-F390 HydrophobicContact CB-CZ 4.4Å
332L98.9Very high97.8Very high1 Ų110.3 Ų10.31%0.0055%0.054CC..Hα-helixtrans-78.9-19.7-177.6-75.1167.8000114.6Y284 E328 T329 L330 F369 M374 P382 F385 K457Y284-L332 HydrophobicContact CE1-CD1 4.1Å; Y284-L332 HydrophobicContact CE2-CB 4.42Å; Y284-L332 HydrophobicContact CE2-CD1 4.15Å; E328-L332 HydrophobicContact CG-CD1 4.24Å; E328-L332 WeakPolarHBondContact O-CG 3.4Å; E328-L332 PolarHBondContact O-N 3.35Å; E328-L332 VanDerWaalsContact O-N 3.12Å; T329-L332 PolarHBondContact O-N 3.24Å; L330-L332 PolarHBondContact O-N 3.16Å; L332-F369 WeakPolarHBondContact O-CE2 3.44Å; L332-M374 HydrophobicContact CD2-CE 4.4Å; L332-M374 HydrophobicContact CD2-SD 4.03Å; L332-P382 VanDerWaalsContact CD2-O 3.26Å; L332-P382 WeakPolarHBondContact CD2-O 3.27Å; L332-F385 HydrophobicContact CD1-CB 3.9Å; L332-F385 HydrophobicContact CD1-CD2 3.99Å; L332-F385 HydrophobicContact CD1-CG 4.46Å; L332-K457 PolarHBondContact O-NZ 2.89Å
333T98.8Very high97.8Very high0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-136.7-13.8-163.963.30000115.4W280 Y284 T329 L330 M466 L467W280-T333 HydrophobicContact CB-CG2 4.01Å; W280-T333 HydrophobicContact CD2-CG2 3.73Å; W280-T333 HydrophobicContact CE3-CG2 4.31Å; W280-T333 HydrophobicContact CG-CG2 3.57Å; Y284-T333 HydrophobicContact CE2-CG2 4.1Å; T329-T333 WeakPolarHBondContact O-CB 3.28Å; T329-T333 PolarHBondContact O-N 3.09Å; T329-T333 VanDerWaalsContact O-N 3.1Å; T329-T333 PolarHBondContact O-OG1 2.94Å; L330-T333 PolarHBondContact O-N 2.69Å; T333-M466 WeakPolarHBondContact OG1-CE 3.4Å; T333-L467 WeakPolarHBondContact O-CB 3.39Å; T333-L467 WeakPolarHBondContact O-CG 3.19Å; T333-L467 PolarHBondContact O-N 2.97Å
334A98.6Very high97.7Very high2 Ų215.1 Ų15.12%0.0177%0.071CC..BIsolated β-bridgetrans-86.2116.1169.900000109.7L330 P336 Q373 P414 M466L330-A334 WeakPolarHBondContact O-CB 2.91Å; L330-A334 PolarHBondContact O-N 2.78Å; A334-P336 VanDerWaalsContact C-CD 3.44Å; A334-Q373 PolarHBondContact O-NE2 3.18Å; A334-P414 HydrophobicContact CB-CB 3.42Å; A334-P414 VanDerWaalsContact CB-CB 3.42Å; A334-M466 HydrophobicContact CB-SD 3.61Å
335A98.3Very high97.6Very high0 Ų019.7 Ų19.70%010%0.095CC..  trans-132.256.8-178.400000113.2F367 F369 Y462 G463 G465 L467A335-F367 HydrophobicContact CB-CE2 3.93Å; A335-F367 HydrophobicContact CB-CZ 4.1Å; A335-F369 HydrophobicContact CB-CB 3.87Å; A335-F369 HydrophobicContact CB-CD1 4.37Å; A335-F369 HydrophobicContact CB-CD2 3.66Å; A335-F369 HydrophobicContact CB-CE2 4.3Å; A335-F369 HydrophobicContact CB-CG 3.7Å; A335-Y462 HydrophobicContact CB-CD1 3.62Å; A335-Y462 HydrophobicContact CB-CE1 4.05Å; A335-G463 VanDerWaalsContact O-CA 3.23Å; A335-G463 WeakPolarHBondContact O-CA 3.34Å; A335-G463 PolarHBondContact O-N 3.09Å; A335-G465 CarbonylContact C-O 3.52Å; A335-G465 PolarHBondContact N-O 3.01Å; A335-L467 HydrophobicContact CB-CD1 4.22Å; A335-L467 HydrophobicContact CB-CD2 4.2Å; A335-L467 HydrophobicContact CB-CG 4.14Å
336P97.1Very high97.4Very high23 Ų2321.6 Ų21.615%0.14910%0.103CC..BIsolated β-bridgetrans-73.2147173.732-34.7000111.7A334A334-P336 VanDerWaalsContact C-CD 3.44Å
337F96.6Very high97.3Very high44 Ų4424.1 Ų24.119%0.19312%0.119CC..  trans-83.6142.7163.2-68.3-40.7000110.5F41 A45 I49 T339 F367 G463F41-F337 AromaticContact CE1-CE2 3.87Å; F41-F337 HydrophobicContact CE1-CE2 3.87Å; F41-F337 AromaticContact CE1-CZ 3.72Å; F41-F337 HydrophobicContact CE1-CZ 3.72Å; F41-F337 HydrophobicContact CZ-CE1 4.46Å; F41-F337 HydrophobicContact CZ-CE2 4.27Å; F41-F337 AromaticContact CZ-CZ 3.87Å; F41-F337 HydrophobicContact CZ-CZ 3.87Å; A45-F337 HydrophobicContact CB-CE1 4.43Å; A45-F337 HydrophobicContact CB-CZ 3.71Å; I49-F337 HydrophobicContact CD1-CE1 4.11Å; F337-T339 HydrophobicContact CB-CG2 3.87Å; F337-F367 HydrophobicContact CD1-CB 4.17Å; F337-F367 HydrophobicContact CD1-CD1 4.5Å; F337-F367 AromaticContact CD1-CD2 3.38Å; F337-F367 HydrophobicContact CD1-CD2 3.38Å; F337-F367 AromaticContact CD1-CE2 3.78Å; F337-F367 HydrophobicContact CD1-CE2 3.78Å; F337-F367 AromaticContact CD1-CG 3.79Å; F337-F367 HydrophobicContact CD1-CG 3.79Å; F337-F367 HydrophobicContact CD1-CZ 4.48Å; F337-F367 HydrophobicContact CE1-CB 4.28Å; F337-F367 AromaticContact CE1-CD1 3.88Å; F337-F367 HydrophobicContact CE1-CD1 3.88Å; F337-F367 AromaticContact CE1-CD2 3.48Å; F337-F367 HydrophobicContact CE1-CD2 3.48Å; F337-F367 VanDerWaalsContact CE1-CD2 3.48Å; F337-F367 AromaticContact CE1-CE1 3.97Å; F337-F367 HydrophobicContact CE1-CE1 3.97Å; F337-F367 AromaticContact CE1-CE2 3.59Å; F337-F367 HydrophobicContact CE1-CE2 3.59Å; F337-F367 AromaticContact CE1-CG 3.63Å; F337-F367 HydrophobicContact CE1-CG 3.63Å; F337-F367 AromaticContact CE1-CZ 3.84Å; F337-F367 HydrophobicContact CE1-CZ 3.84Å; F337-G463 VanDerWaalsContact CE2-CA 3.49Å; F337-G463 PolarHBondContact N-O 2.89Å
338I96Very high97.3Very high15 Ų1522.6 Ų22.68%0.07711%0.112CC..EExtended strand (participates in β ladder)trans-107.597.4167-54.7176.3000107.2C365 L366 P368 M413I338-C365 WeakPolarHBondContact O-CA 3.29Å; I338-L366 HydrophobicContact CB-CB 4.01Å; I338-L366 HydrophobicContact CB-CD1 4.19Å; I338-L366 HydrophobicContact CB-CG 4.16Å; I338-L366 HydrophobicContact CD1-CD1 4.36Å; I338-L366 HydrophobicContact CG2-CD1 4.07Å; I338-L366 HydrophobicContact CG2-CG 4.35Å; I338-L366 PolarHBondContact N-O 3.34Å; I338-L366 PolarHBondContact O-N 3.33Å; I338-P368 HydrophobicContact CD1-CG 3.77Å; I338-P368 HydrophobicContact CG1-CG 4.34Å; I338-M413 HydrophobicContact CD1-CE 4.03Å
339T94.5Very high97.2Very high11 Ų1126.9 Ų26.97%0.06713%0.132CC..EExtended strand (participates in β ladder)trans-103.6146.6-173.953.60000112.4Y93 F337 L364 C365Y93-T339 HydrophobicContact CD1-CG2 4.09Å; Y93-T339 WeakPolarHBondContact CD1-OG1 3.46Å; Y93-T339 HydrophobicContact CE1-CG2 3.99Å; F337-T339 HydrophobicContact CB-CG2 3.87Å; T339-L364 CarbonylContact C-O 3.58Å; T339-L364 WeakPolarHBondContact CA-O 3.35Å; T339-C365 HydrophobicContact CG2-CB 4.34Å
340R95.1Very high97.1Very high6 Ų627.6 Ų27.62%0.02314%0.135CC..EExtended strand (participates in β ladder)trans-137.4145.7170.5-60.6-64.9-174.2-80-7.6110.4V81 L88 D89 R363 L364 N420V81-R340 HydrophobicContact CG1-CG 4.07Å; L88-R340 HydrophobicContact CB-CB 3.78Å; L88-R340 HydrophobicContact CB-CG 3.87Å; L88-R340 HydrophobicContact CD2-CB 4.49Å; L88-R340 WeakPolarHBondContact O-CD 3.25Å; D89-R340 CarbonylContact O-C 3.52Å; D89-R340 VanDerWaalsContact O-CA 3.3Å; D89-R340 WeakPolarHBondContact O-CA 3.09Å; R340-R363 CarbonylContact O-C 3.49Å; R340-R363 WeakPolarHBondContact O-CA 3.23Å; R340-R363 WeakPolarHBondContact O-CG 3.3Å; R340-L364 HydrophobicContact CB-CB 4.42Å; R340-L364 PolarHBondContact N-O 3.12Å; R340-L364 PolarHBondContact O-N 3.02Å; R340-N420 VanDerWaalsContact CZ-ND2 3.28Å; R340-N420 PolarHBondContact NH1-ND2 3.11Å; R340-N420 PolarHBondContact NH2-ND2 3.14Å; R340-N420 VanDerWaalsContact NH2-ND2 3.12Å
341E96.3Very high97Very high11 Ų1129.4 Ų29.45%0.05115%0.151CC..EExtended strand (participates in β ladder)trans-91.6130.3165.1-64-68.5148.400108.6R67 D89 R92 V343 R363R67-E341 IonicContact CZ-OE2 2.89Å; R67-E341 IonicContact NH2-OE1 2.56Å; R67-E341 IonicContact NH2-OE2 3.45Å; R67-E341 PolarHBondContact NH2-OE2 3.12Å; D89-E341 PolarHBondContact N-O 2.99Å; D89-E341 PolarHBondContact O-N 2.78Å; R92-E341 HydrophobicContact CB-CB 4.38Å; R92-E341 HydrophobicContact CB-CG 3.88Å; E341-V343 PolarHBondContact O-N 3.12Å; E341-R363 IonicContact OE1-CZ 3.02Å; E341-R363 IonicContact OE1-NE 2.74Å; E341-R363 PolarHBondContact OE1-NE 2.73Å; E341-R363 IonicContact OE1-NH2 2.72Å; E341-R363 PolarHBondContact OE1-NH2 3.11Å
342V97.6Very high96.8Very high3 Ų333.9 Ų33.92%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-78.1108.5177.4-176.80000107.9L88 R344 L358 R359 K360 G361 D362 L364L88-V342 HydrophobicContact CD2-CB 4.48Å; L88-V342 HydrophobicContact CD2-CG2 3.89Å; V342-R344 WeakPolarHBondContact CG1-O 3.48Å; V342-L358 HydrophobicContact CG1-CB 4.09Å; V342-L358 HydrophobicContact CG2-CB 4.21Å; V342-L358 HydrophobicContact CG2-CD1 4.43Å; V342-R359 WeakPolarHBondContact CB-O 3.34Å; V342-R359 VanDerWaalsContact CG1-O 3.27Å; V342-R359 WeakPolarHBondContact CG1-O 3.5Å; V342-K360 WeakPolarHBondContact O-CA 3.45Å; V342-G361 PolarHBondContact O-N 3.46Å; V342-D362 WeakPolarHBondContact CB-O 3.48Å; V342-D362 HydrophobicContact CG2-CB 4.24Å; V342-D362 WeakPolarHBondContact CG2-O 3.38Å; V342-D362 PolarHBondContact N-O 2.76Å; V342-L364 HydrophobicContact CG2-CB 4.38Å
343V96.6Very high96.7Very high31 Ų3136.9 Ų36.919%0.18821%0.206CC..  trans-89.8-18.2-172.5-59.60000113.8D86 S87 D89 E341 K360D86-V343 WeakPolarHBondContact O-CG2 3.48Å; S87-V343 WeakPolarHBondContact O-CG2 3.49Å; S87-V343 PolarHBondContact O-N 2.85Å; D89-V343 HydrophobicContact CB-CG1 3.6Å; E341-V343 PolarHBondContact O-N 3.12Å; V343-K360 WeakPolarHBondContact O-CD 3.18Å; V343-K360 WeakPolarHBondContact O-CE 3.27Å; V343-K360 WeakPolarHBondContact O-CG 3.32Å
344R96.1Very high96.6Very high126 Ų12641.2 Ų41.248%0.47523%0.227SC..SBendtrans-145.6153.1172.359.7-179.5173.3-171-4.9109.4S87 V342 K346S87-R344 PolarHBondContact OG-NE 2.84Å; S87-R344 PolarHBondContact OG-NH2 2.75Å; V342-R344 WeakPolarHBondContact CG1-O 3.48Å; R344-K346 PolarHBondContact O-N 2.69Å
345D96.5Very high96.5Very high99 Ų9945.3 Ų45.353%0.52925%0.248SC..  trans-56135.7172.5-71.98.6000109.3L357 L358 K360D345-L357 HydrophobicContact CB-CD1 4.43Å; D345-L358 VanDerWaalsContact CA-O 3.31Å; D345-L358 WeakPolarHBondContact CA-O 3.45Å; D345-K360 VanDerWaalsContact OD1-CB 3.25Å; D345-K360 WeakPolarHBondContact OD1-CB 3.28Å; D345-K360 PolarHBondContact OD1-N 2.93Å
346K95.2Very high96.5Very high40 Ų4046.9 Ų46.917%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-148.1139-175.5167.4177.7172.389.40110.9D84 R344 L358D84-K346 WeakPolarHBondContact OD2-CD 3.29Å; D84-K346 WeakPolarHBondContact OD2-CE 3.5Å; D84-K346 IonicContact OD2-NZ 2.72Å; D84-K346 PolarHBondContact OD2-NZ 2.79Å; R344-K346 PolarHBondContact O-N 2.69Å; K346-L358 PolarHBondContact N-O 3.33Å; K346-L358 PolarHBondContact O-N 3.47Å
347T97.4Very high96.6Very high59 Ų5947.9 Ų47.936%0.36226%0.258SS..EExtended strand (participates in β ladder)trans-79.8124.1162.5-53.80000109.8D355 Y356T347-D355 HydrophobicContact CG2-CB 3.73Å; T347-Y356 WeakPolarHBondContact CA-O 3.38Å
348L97.6Very high96.7Very high0 Ų045.8 Ų45.80%025%0.249CC..EExtended strand (participates in β ladder)trans-92.5121.4169.4-179.376.3000108.3I59 L72 E80 V81 M350 D355 Y356 L358I59-L348 HydrophobicContact CD1-CD2 3.64Å; L72-L348 HydrophobicContact CD2-CD2 4.14Å; E80-L348 HydrophobicContact CB-CD1 3.8Å; V81-L348 HydrophobicContact CG2-CD1 3.92Å; L348-M350 HydrophobicContact CD2-SD 3.96Å; L348-D355 WeakPolarHBondContact O-CA 3.28Å; L348-Y356 PolarHBondContact N-O 3.16Å; L348-Y356 PolarHBondContact O-N 3.44Å; L348-L358 HydrophobicContact CB-CD1 4.12Å; L348-L358 HydrophobicContact CB-CG 4.19Å
349H97.6Very high96.7Very high90 Ų9047.2 Ų47.242%0.41725%0.253SS..EExtended strand (participates in β ladder)trans-92.9116.5178.7-58.6-64.9000109.7E80 D355E80-H349 WeakPolarHBondContact CG-O 3.46Å; H349-D355 WeakPolarHBondContact CA-OD1 3.38Å; H349-D355 IonicContact CE1-OD1 2.75Å; H349-D355 IonicContact CE1-OD2 3.9Å; H349-D355 IonicContact CG-OD1 2.77Å; H349-D355 VanDerWaalsContact ND1-CG 3.29Å; H349-D355 IonicContact ND1-OD1 2.69Å; H349-D355 PolarHBondContact ND1-OD1 3.19Å; H349-D355 IonicContact ND1-OD2 2.72Å; H349-D355 PolarHBondContact ND1-OD2 3.28Å
350M97.4Very high96.8Very high14 Ų1453.3 Ų53.37%0.06928%0.279CS..PPolyproline II helixtrans-84.3153-178.9-60.3-75.4-6500111I59 L72 D74 L348 D352 G353 Q354 Y356I59-M350 HydrophobicContact CB-CE 4.46Å; I59-M350 HydrophobicContact CD1-SD 4.13Å; I59-M350 HydrophobicContact CG2-CE 4.45Å; L72-M350 HydrophobicContact CD1-CE 3.53Å; L72-M350 HydrophobicContact CD1-SD 3.55Å; L72-M350 VanDerWaalsContact CD1-SD 3.55Å; D74-M350 HydrophobicContact CB-CE 3.89Å; L348-M350 HydrophobicContact CD2-SD 3.96Å; M350-D352 WeakPolarHBondContact CB-OD1 3.44Å; M350-D352 PolarHBondContact O-N 3.12Å; M350-D352 VanDerWaalsContact O-N 3.13Å; M350-G353 PolarHBondContact O-N 3.3Å; M350-Q354 HydrophobicContact CB-CB 4.33Å; M350-Q354 WeakPolarHBondContact CB-O 3.48Å; M350-Q354 HydrophobicContact CG-CB 4.42Å; M350-Q354 VanDerWaalsContact CG-O 3.28Å; M350-Q354 WeakPolarHBondContact CG-O 3.49Å; M350-Q354 PolarHBondContact N-O 3.18Å; M350-Y356 HydrophobicContact CG-CD2 3.63Å; M350-Y356 HydrophobicContact CG-CE2 3.81Å; M350-Y356 HydrophobicContact SD-CD2 4.3Å
351A96.8Very high96.8Very high43 Ų4355 Ų5536%0.35530%0.298SS..THydrogen-bonded Turntrans-67-12.1179.200000114.5H76 S77H76-A351 HydrophobicContact CB-CB 3.48Å; H76-A351 VanDerWaalsContact CB-CB 3.48Å; S77-A351 PolarHBondContact OG-N 2.82Å
352D93.9Very high96.8Very high93 Ų9354.9 Ų54.950%0.49730%0.297SS..THydrogen-bonded Turntrans-91.91.4171.969.1-4.3000113.2M350 Q354M350-D352 WeakPolarHBondContact CB-OD1 3.44Å; M350-D352 PolarHBondContact O-N 3.12Å; M350-D352 VanDerWaalsContact O-N 3.13Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.46Å; D352-Q354 PolarHBondContact OD1-N 3.45Å; D352-Q354 PolarHBondContact OD2-NE2 3.1Å
353G95.8Very high96.8Very high65 Ų6556.4 Ų56.467%0.6730%0.303SS*.SBendtrans89.12.1179.200000114.8M350M350-G353 PolarHBondContact O-N 3.3Å
354Q96.9Very high96.9Very high91 Ų9155 Ų5543%0.42529%0.294SS..  trans-82.1145.9174.5-64.3-176.761.100112.1M350 D352 Y356M350-Q354 HydrophobicContact CB-CB 4.33Å; M350-Q354 WeakPolarHBondContact CB-O 3.48Å; M350-Q354 HydrophobicContact CG-CB 4.42Å; M350-Q354 VanDerWaalsContact CG-O 3.28Å; M350-Q354 WeakPolarHBondContact CG-O 3.49Å; M350-Q354 PolarHBondContact N-O 3.18Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.46Å; D352-Q354 PolarHBondContact OD1-N 3.45Å; D352-Q354 PolarHBondContact OD2-NE2 3.1Å; Q354-Y356 HydrophobicContact CB-CD2 4.48Å; Q354-Y356 HydrophobicContact CB-CE2 3.76Å; Q354-Y356 PolarHBondContact OE1-OH 2.58Å
355D97.9Very high97Very high88 Ų8849.1 Ų49.147%0.47127%0.272SS..EExtended strand (participates in β ladder)trans-114.9137.3178.6-77-9.4000111.7T347 L348 H349T347-D355 HydrophobicContact CG2-CB 3.73Å; L348-D355 WeakPolarHBondContact O-CA 3.28Å; H349-D355 WeakPolarHBondContact CA-OD1 3.38Å; H349-D355 IonicContact CE1-OD1 2.75Å; H349-D355 IonicContact CE1-OD2 3.9Å; H349-D355 IonicContact CG-OD1 2.77Å; H349-D355 VanDerWaalsContact ND1-CG 3.29Å; H349-D355 IonicContact ND1-OD1 2.69Å; H349-D355 PolarHBondContact ND1-OD1 3.19Å; H349-D355 IonicContact ND1-OD2 2.72Å; H349-D355 PolarHBondContact ND1-OD2 3.28Å
356Y98.3Very high97.1Very high33 Ų3344.4 Ų44.413%0.12925%0.247CC..EExtended strand (participates in β ladder)trans-131.3126.9180-69.6-81.7000112.3A23 P25 I59 T347 L348 M350 Q354 L358A23-Y356 CarbonylContact O-C 3.56Å; A23-Y356 WeakPolarHBondContact O-CA 3.5Å; P25-Y356 HydrophobicContact CB-CD1 4.21Å; P25-Y356 HydrophobicContact CG-CD1 3.86Å; P25-Y356 HydrophobicContact CG-CG 4.17Å; I59-Y356 HydrophobicContact CD1-CD2 3.96Å; I59-Y356 HydrophobicContact CD1-CG 3.94Å; I59-Y356 HydrophobicContact CG2-CD1 4.33Å; I59-Y356 HydrophobicContact CG2-CD2 3.89Å; I59-Y356 HydrophobicContact CG2-CE1 3.94Å; I59-Y356 HydrophobicContact CG2-CE2 3.51Å; I59-Y356 HydrophobicContact CG2-CG 4.28Å; T347-Y356 WeakPolarHBondContact CA-O 3.38Å; L348-Y356 PolarHBondContact N-O 3.16Å; L348-Y356 PolarHBondContact O-N 3.44Å; M350-Y356 HydrophobicContact CG-CD2 3.63Å; M350-Y356 HydrophobicContact CG-CE2 3.81Å; M350-Y356 HydrophobicContact SD-CD2 4.3Å; Q354-Y356 HydrophobicContact CB-CD2 4.48Å; Q354-Y356 HydrophobicContact CB-CE2 3.76Å; Q354-Y356 PolarHBondContact OE1-OH 2.58Å; Y356-L358 PolarHBondContact O-N 3.36Å
357L98.2Very high97.2Very high43 Ų4342.5 Ų42.523%0.22524%0.239CC..EExtended strand (participates in β ladder)trans-76.2122172.9-177.765.8000110.8A23 E24 P25 D345A23-L357 HydrophobicContact CB-CB 4.27Å; A23-L357 PolarHBondContact O-N 2.78Å; E24-L357 HydrophobicContact CG-CB 4.19Å; P25-L357 WeakPolarHBondContact CD-O 3.29Å; D345-L357 HydrophobicContact CB-CD1 4.43Å
358L98.2Very high97.3Very high1 Ų139.7 Ų39.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-96.4131168.1-56.3-177.9000109.1T70 L88 V342 D345 K346 L348 Y356 L364T70-L358 HydrophobicContact CG2-CD2 3.91Å; L88-L358 HydrophobicContact CD2-CD1 4.22Å; V342-L358 HydrophobicContact CG1-CB 4.09Å; V342-L358 HydrophobicContact CG2-CB 4.21Å; V342-L358 HydrophobicContact CG2-CD1 4.43Å; D345-L358 VanDerWaalsContact CA-O 3.31Å; D345-L358 WeakPolarHBondContact CA-O 3.45Å; K346-L358 PolarHBondContact N-O 3.33Å; K346-L358 PolarHBondContact O-N 3.47Å; L348-L358 HydrophobicContact CB-CD1 4.12Å; L348-L358 HydrophobicContact CB-CG 4.19Å; Y356-L358 PolarHBondContact O-N 3.36Å; L358-L364 HydrophobicContact CD1-CD1 4.28Å; L358-L364 HydrophobicContact CD1-CD2 3.96Å; L358-L364 HydrophobicContact CD2-CD1 4.32Å
359R96.6Very high97.3Very high44 Ų4440 Ų4017%0.16622%0.223CC..PPolyproline II helixtrans-88.1140.9177.5-66.5-168.2-168.6163.914.7111.7R18 W19 Y21 E24 V342 G361 D362R18-R359 VanDerWaalsContact CG-NH1 3.31Å; R18-R359 VanDerWaalsContact NE-CZ 3.33Å; R18-R359 VanDerWaalsContact NE-NH1 3.19Å; R18-R359 VanDerWaalsContact NH2-CD 3.31Å; W19-R359 PolarHBondContact O-NH1 3.38Å; W19-R359 PolarHBondContact O-NH2 2.93Å; Y21-R359 VanDerWaalsContact CE2-NH2 3.28Å; E24-R359 IonicContact OE1-CZ 3.87Å; E24-R359 IonicContact OE1-NE 3.19Å; E24-R359 PolarHBondContact OE1-NE 3.06Å; E24-R359 IonicContact OE1-NH2 2.66Å; E24-R359 PolarHBondContact OE1-NH2 3.05Å; E24-R359 IonicContact OE2-CZ 3.19Å; E24-R359 IonicContact OE2-NE 3.67Å; E24-R359 IonicContact OE2-NH2 2.73Å; E24-R359 PolarHBondContact OE2-NH2 3.08Å; V342-R359 WeakPolarHBondContact CB-O 3.34Å; V342-R359 VanDerWaalsContact CG1-O 3.27Å; V342-R359 WeakPolarHBondContact CG1-O 3.5Å; R359-G361 PolarHBondContact O-N 3.24Å; R359-D362 VanDerWaalsContact O-CB 3.28Å; R359-D362 WeakPolarHBondContact O-CB 3.21Å; R359-D362 PolarHBondContact O-N 3.34Å; R359-D362 VanDerWaalsContact O-N 3.1Å
360K96.9Very high97.4Very high140 Ų14036.1 Ų36.161%0.60921%0.206SC*.THydrogen-bonded Turntrans-50.9132.5166178.9176.1-179.9-1780110.6V342 V343 D345 D362V342-K360 WeakPolarHBondContact O-CA 3.45Å; V343-K360 WeakPolarHBondContact O-CD 3.18Å; V343-K360 WeakPolarHBondContact O-CE 3.27Å; V343-K360 WeakPolarHBondContact O-CG 3.32Å; D345-K360 VanDerWaalsContact OD1-CB 3.25Å; D345-K360 WeakPolarHBondContact OD1-CB 3.28Å; D345-K360 PolarHBondContact OD1-N 2.93Å; K360-D362 VanDerWaalsContact C-N 3.33Å
361G95Very high97.4Very high40 Ų4035.5 Ų35.541%0.41220%0.203SC..THydrogen-bonded Turntrans89.9-10.6-179.200000114.5V342 R359V342-G361 PolarHBondContact O-N 3.46Å; R359-G361 PolarHBondContact O-N 3.24Å
362D96.9Very high97.5Very high9 Ų933.4 Ų33.45%0.04819%0.186CC..PPolyproline II helixtrans-72.1157.4169-70.6-8.5000110.8R18 Y68 V342 R359 K360R18-D362 IonicContact CZ-OD1 3.52Å; R18-D362 IonicContact CZ-OD2 3.4Å; R18-D362 VanDerWaalsContact CZ-OD2 3.25Å; R18-D362 IonicContact NH1-OD1 3.55Å; R18-D362 PolarHBondContact NH1-OD1 3.47Å; R18-D362 IonicContact NH1-OD2 2.67Å; R18-D362 PolarHBondContact NH1-OD2 2.95Å; R18-D362 IonicContact NH2-OD2 3.38Å; R18-D362 PolarHBondContact NH2-OD2 2.77Å; Y68-D362 WeakPolarHBondContact CB-OD1 3.28Å; V342-D362 WeakPolarHBondContact CB-O 3.48Å; V342-D362 HydrophobicContact CG2-CB 4.24Å; V342-D362 WeakPolarHBondContact CG2-O 3.38Å; V342-D362 PolarHBondContact N-O 2.76Å; R359-D362 VanDerWaalsContact O-CB 3.28Å; R359-D362 WeakPolarHBondContact O-CB 3.21Å; R359-D362 PolarHBondContact O-N 3.34Å; R359-D362 VanDerWaalsContact O-N 3.1Å; K360-D362 VanDerWaalsContact C-N 3.33Å
363R97.5Very high97.7Very high35 Ų3529 Ų2913%0.13216%0.162CC..EExtended strand (participates in β ladder)trans-98.7134.4165.6-177.3171.6-63.9153.67.4109.3Y68 V69 T70 R340 E341Y68-R363 PolarHBondContact O-N 2.86Å; V69-R363 CarbonylContact C-O 3.54Å; V69-R363 VanDerWaalsContact CA-O 3.23Å; V69-R363 WeakPolarHBondContact CA-O 3.34Å; V69-R363 HydrophobicContact CG1-CB 4.25Å; V69-R363 HydrophobicContact CG1-CG 4.24Å; V69-R363 HydrophobicContact CG2-CB 4.3Å; T70-R363 PolarHBondContact N-O 2.92Å; R340-R363 CarbonylContact O-C 3.49Å; R340-R363 WeakPolarHBondContact O-CA 3.23Å; R340-R363 WeakPolarHBondContact O-CG 3.3Å; E341-R363 IonicContact OE1-CZ 3.02Å; E341-R363 IonicContact OE1-NE 2.74Å; E341-R363 PolarHBondContact OE1-NE 2.73Å; E341-R363 IonicContact OE1-NH2 2.72Å; E341-R363 PolarHBondContact OE1-NH2 3.11Å
364L98.1Very high97.9Very high1 Ų127.5 Ų27.51%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-101.4138.2166.7-174.569.4000108.9T70 L72 V81 L88 T339 R340 V342 L358T70-L364 HydrophobicContact CG2-CD1 3.73Å; T70-L364 CarbonylContact O-C 3.53Å; T70-L364 WeakPolarHBondContact O-CA 3.19Å; L72-L364 HydrophobicContact CB-CD1 4.43Å; V81-L364 HydrophobicContact CB-CD2 4.12Å; V81-L364 HydrophobicContact CG1-CD2 3.61Å; V81-L364 HydrophobicContact CG1-CG 4.42Å; V81-L364 HydrophobicContact CG2-CD2 3.44Å; V81-L364 VanDerWaalsContact CG2-CD2 3.44Å; V81-L364 HydrophobicContact CG2-CG 4.48Å; L88-L364 HydrophobicContact CD1-CD2 3.9Å; L88-L364 HydrophobicContact CD2-CD2 3.99Å; T339-L364 CarbonylContact C-O 3.58Å; T339-L364 WeakPolarHBondContact CA-O 3.35Å; R340-L364 HydrophobicContact CB-CB 4.42Å; R340-L364 PolarHBondContact N-O 3.12Å; R340-L364 PolarHBondContact O-N 3.02Å; V342-L364 HydrophobicContact CG2-CB 4.38Å; L358-L364 HydrophobicContact CD1-CD1 4.28Å; L358-L364 HydrophobicContact CD1-CD2 3.96Å; L358-L364 HydrophobicContact CD2-CD1 4.32Å
365C97.8Very high98Very high3 Ų323.4 Ų23.42%0.0212%0.119CC..EExtended strand (participates in β ladder)trans-138.1124.9-179.5-177.70000110.4V69 T70 L71 L72 I338 T339V69-C365 HydrophobicContact CG1-CB 4Å; T70-C365 PolarHBondContact O-N 3.4Å; L71-C365 WeakPolarHBondContact CA-O 3.25Å; L71-C365 HydrophobicContact CD1-CB 3.95Å; L72-C365 PolarHBondContact N-O 3.36Å; I338-C365 WeakPolarHBondContact O-CA 3.29Å; T339-C365 HydrophobicContact CG2-CB 4.34Å
366L98.4Very high98Very high0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-93.4143.1164.3-35.7178.1000108.3L72 Y78 V81 I82 I338L72-L366 HydrophobicContact CB-CD2 3.69Å; L72-L366 HydrophobicContact CD2-CD2 3.72Å; L72-L366 HydrophobicContact CG-CD2 3.95Å; Y78-L366 HydrophobicContact CD1-CB 4.43Å; Y78-L366 HydrophobicContact CD1-CD1 3.9Å; Y78-L366 HydrophobicContact CD1-CD2 3.89Å; Y78-L366 HydrophobicContact CD1-CG 4.3Å; Y78-L366 HydrophobicContact CD2-CD1 4.42Å; Y78-L366 HydrophobicContact CE1-CB 4.1Å; Y78-L366 HydrophobicContact CE1-CD1 4.4Å; Y78-L366 HydrophobicContact CE1-CD2 4.03Å; Y78-L366 HydrophobicContact CE1-CG 4.41Å; Y78-L366 HydrophobicContact CG-CD1 3.9Å; V81-L366 HydrophobicContact CB-CD1 4.24Å; V81-L366 HydrophobicContact CB-CD2 4.17Å; V81-L366 HydrophobicContact CG1-CD1 4.1Å; V81-L366 HydrophobicContact CG1-CD2 4.04Å; V81-L366 HydrophobicContact CG1-CG 4.17Å; V81-L366 HydrophobicContact CG2-CD2 4.05Å; I82-L366 HydrophobicContact CD1-CD1 4.45Å; I82-L366 HydrophobicContact CG1-CD1 4.28Å; I338-L366 HydrophobicContact CB-CB 4.01Å; I338-L366 HydrophobicContact CB-CD1 4.19Å; I338-L366 HydrophobicContact CB-CG 4.16Å; I338-L366 HydrophobicContact CD1-CD1 4.36Å; I338-L366 HydrophobicContact CG2-CD1 4.07Å; I338-L366 HydrophobicContact CG2-CG 4.35Å; I338-L366 PolarHBondContact N-O 3.34Å; I338-L366 PolarHBondContact O-N 3.33Å
367F98.4Very high97.9Very high0 Ų027 Ų270%014%0.141CC..  trans-128.883.4172.4-165.9-151.7000112A46 I49 L73 A335 F337 F369 V370 S371 Y462A46-F367 HydrophobicContact CB-CE1 4.05Å; I49-F367 HydrophobicContact CD1-CB 4.3Å; I49-F367 HydrophobicContact CD1-CD1 3.47Å; I49-F367 VanDerWaalsContact CD1-CD1 3.47Å; I49-F367 HydrophobicContact CD1-CE1 4.06Å; I49-F367 HydrophobicContact CD1-CG 4.19Å; I49-F367 HydrophobicContact CG2-CD1 4.43Å; L73-F367 HydrophobicContact CD2-CB 4.16Å; A335-F367 HydrophobicContact CB-CE2 3.93Å; A335-F367 HydrophobicContact CB-CZ 4.1Å; F337-F367 HydrophobicContact CD1-CB 4.17Å; F337-F367 HydrophobicContact CD1-CD1 4.5Å; F337-F367 AromaticContact CD1-CD2 3.38Å; F337-F367 HydrophobicContact CD1-CD2 3.38Å; F337-F367 AromaticContact CD1-CE2 3.78Å; F337-F367 HydrophobicContact CD1-CE2 3.78Å; F337-F367 AromaticContact CD1-CG 3.79Å; F337-F367 HydrophobicContact CD1-CG 3.79Å; F337-F367 HydrophobicContact CD1-CZ 4.48Å; F337-F367 HydrophobicContact CE1-CB 4.28Å; F337-F367 AromaticContact CE1-CD1 3.88Å; F337-F367 HydrophobicContact CE1-CD1 3.88Å; F337-F367 AromaticContact CE1-CD2 3.48Å; F337-F367 HydrophobicContact CE1-CD2 3.48Å; F337-F367 VanDerWaalsContact CE1-CD2 3.48Å; F337-F367 AromaticContact CE1-CE1 3.97Å; F337-F367 HydrophobicContact CE1-CE1 3.97Å; F337-F367 AromaticContact CE1-CE2 3.59Å; F337-F367 HydrophobicContact CE1-CE2 3.59Å; F337-F367 AromaticContact CE1-CG 3.63Å; F337-F367 HydrophobicContact CE1-CG 3.63Å; F337-F367 AromaticContact CE1-CZ 3.84Å; F337-F367 HydrophobicContact CE1-CZ 3.84Å; F367-F369 HydrophobicContact CD1-CB 4.49Å; F367-F369 HydrophobicContact CD2-CB 3.9Å; F367-F369 HydrophobicContact CE1-CB 4.16Å; F367-F369 HydrophobicContact CE1-CD1 4.19Å; F367-F369 HydrophobicContact CE2-CB 3.51Å; F367-F369 HydrophobicContact CE2-CG 4.37Å; F367-F369 HydrophobicContact CG-CB 4.39Å; F367-F369 HydrophobicContact CZ-CB 3.66Å; F367-F369 AromaticContact CZ-CD1 3.98Å; F367-F369 HydrophobicContact CZ-CD1 3.98Å; F367-F369 HydrophobicContact CZ-CG 4.12Å; F367-F369 PolarHBondContact O-N 3.45Å; F367-V370 HydrophobicContact CD1-CB 4.23Å; F367-V370 HydrophobicContact CD1-CG2 3.5Å; F367-V370 VanDerWaalsContact CD1-CG2 3.5Å; F367-V370 HydrophobicContact CE1-CG2 3.81Å; F367-V370 HydrophobicContact CG-CG2 4.47Å; F367-V370 PolarHBondContact O-N 3.43Å; F367-S371 PolarHBondContact O-N 3.34Å; F367-Y462 AromaticContact CZ-CD1 3.79Å; F367-Y462 HydrophobicContact CZ-CD1 3.79Å; F367-Y462 HydrophobicContact CZ-CG 4.26Å
368P98.5Very high98Very high0 Ų025.3 Ų25.30%013%0.133CC..THydrogen-bonded Turntrans-54.7-25.6-177.4-28.436.4000115Y78 I338 S371 P372 Q373 M413Y78-P368 HydrophobicContact CE2-CG 4.34Å; I338-P368 HydrophobicContact CD1-CG 3.77Å; I338-P368 HydrophobicContact CG1-CG 4.34Å; P368-S371 CarbonylContact C-O 3.59Å; P368-S371 VanDerWaalsContact CA-O 3.24Å; P368-S371 WeakPolarHBondContact CA-O 3.34Å; P368-S371 CarbonylContact O-C 3.54Å; P368-S371 PolarHBondContact O-N 2.82Å; P368-P372 WeakPolarHBondContact O-CD 3.27Å; P368-Q373 VanDerWaalsContact O-CB 3.32Å; P368-Q373 WeakPolarHBondContact O-CB 3.46Å; P368-Q373 WeakPolarHBondContact O-CG 3.13Å; P368-Q373 PolarHBondContact O-N 3.06Å; P368-M413 HydrophobicContact CB-CB 3.74Å; P368-M413 HydrophobicContact CB-CG 4.16Å; P368-M413 HydrophobicContact CB-SD 3.95Å; P368-M413 HydrophobicContact CG-CB 4Å; P368-M413 HydrophobicContact CG-CG 4.44Å; P368-M413 HydrophobicContact CG-SD 3.78Å
369F98.7Very high98Very high8 Ų825.3 Ų25.34%0.03513%0.133CC..Iπ-helixtrans-57.3-49174.3-172.9-103.6000112A46 L332 A335 F367 M374 Y462 L467A46-F369 HydrophobicContact CB-CD1 3.97Å; A46-F369 HydrophobicContact CB-CE1 3.88Å; L332-F369 WeakPolarHBondContact O-CE2 3.44Å; A335-F369 HydrophobicContact CB-CB 3.87Å; A335-F369 HydrophobicContact CB-CD1 4.37Å; A335-F369 HydrophobicContact CB-CD2 3.66Å; A335-F369 HydrophobicContact CB-CE2 4.3Å; A335-F369 HydrophobicContact CB-CG 3.7Å; F367-F369 HydrophobicContact CD1-CB 4.49Å; F367-F369 HydrophobicContact CD2-CB 3.9Å; F367-F369 HydrophobicContact CE1-CB 4.16Å; F367-F369 HydrophobicContact CE1-CD1 4.19Å; F367-F369 HydrophobicContact CE2-CB 3.51Å; F367-F369 HydrophobicContact CE2-CG 4.37Å; F367-F369 HydrophobicContact CG-CB 4.39Å; F367-F369 HydrophobicContact CZ-CB 3.66Å; F367-F369 AromaticContact CZ-CD1 3.98Å; F367-F369 HydrophobicContact CZ-CD1 3.98Å; F367-F369 HydrophobicContact CZ-CG 4.12Å; F367-F369 PolarHBondContact O-N 3.45Å; F369-M374 HydrophobicContact CD1-CG 4.24Å; F369-M374 HydrophobicContact CD2-CG 4.27Å; F369-M374 HydrophobicContact CE1-CG 3.97Å; F369-M374 HydrophobicContact CE2-CG 4.01Å; F369-M374 HydrophobicContact CE2-SD 4.35Å; F369-M374 HydrophobicContact CG-CG 4.39Å; F369-M374 HydrophobicContact CZ-CG 3.85Å; F369-M374 HydrophobicContact CZ-SD 4.28Å; F369-M374 WeakPolarHBondContact O-CB 3.42Å; F369-M374 WeakPolarHBondContact O-CG 3.38Å; F369-M374 PolarHBondContact O-N 3.42Å; F369-Y462 HydrophobicContact CD1-CD1 4.4Å; F369-Y462 AromaticContact CD1-CE1 3.83Å; F369-Y462 HydrophobicContact CD1-CE1 3.83Å; F369-Y462 HydrophobicContact CE1-CD1 4.44Å; F369-Y462 AromaticContact CE1-CE1 3.47Å; F369-Y462 HydrophobicContact CE1-CE1 3.47Å; F369-Y462 VanDerWaalsContact CE1-CE1 3.47Å; F369-Y462 AromaticContact CZ-CE1 3.88Å; F369-Y462 HydrophobicContact CZ-CE1 3.88Å; F369-L467 HydrophobicContact CE2-CD1 4.4Å; F369-L467 HydrophobicContact CZ-CD1 4.41Å
370V98.6Very high98Very high8 Ų827.1 Ų27.15%0.04815%0.151CC..Iπ-helixtrans-70.5-36.4179.1169.10000111.4I49 K53 L73 F367I49-V370 HydrophobicContact CB-CG2 4.3Å; I49-V370 HydrophobicContact CG2-CB 4.41Å; I49-V370 HydrophobicContact CG2-CG1 4.35Å; I49-V370 HydrophobicContact CG2-CG2 3.99Å; K53-V370 HydrophobicContact CD-CG1 4.15Å; L73-V370 HydrophobicContact CD1-CG1 4.3Å; L73-V370 HydrophobicContact CD2-CB 4.5Å; F367-V370 HydrophobicContact CD1-CB 4.23Å; F367-V370 HydrophobicContact CD1-CG2 3.5Å; F367-V370 VanDerWaalsContact CD1-CG2 3.5Å; F367-V370 HydrophobicContact CE1-CG2 3.81Å; F367-V370 HydrophobicContact CG-CG2 4.47Å; F367-V370 PolarHBondContact O-N 3.43Å
371S98.5Very high98.1Very high0 Ų024.9 Ų24.90%014%0.142CC..Iπ-helixtrans-159.7123.3177.4171.80000108.4L73 P75 Y78 F367 P368 D375 K403L73-S371 VanDerWaalsContact O-CB 3.26Å; L73-S371 WeakPolarHBondContact O-CB 3.27Å; L73-S371 PolarHBondContact O-OG 2.92Å; P75-S371 WeakPolarHBondContact CD-OG 3.28Å; Y78-S371 PolarHBondContact OH-O 3.01Å; F367-S371 PolarHBondContact O-N 3.34Å; P368-S371 CarbonylContact C-O 3.59Å; P368-S371 VanDerWaalsContact CA-O 3.24Å; P368-S371 WeakPolarHBondContact CA-O 3.34Å; P368-S371 CarbonylContact O-C 3.54Å; P368-S371 PolarHBondContact O-N 2.82Å; S371-D375 PolarHBondContact OG-OD2 3.14Å; S371-K403 PolarHBondContact OG-NZ 3.5Å
372P98.6Very high98.3Very high0 Ų023.1 Ų23.10%012%0.124CC..Iπ-helixcis-88.1-18.316.436-39.2000115P75 P368 M374 D375 V378 H379 L408 Y410 Y411P75-P372 HydrophobicContact CB-CB 4.32Å; P75-P372 HydrophobicContact CG-CB 4.4Å; P368-P372 WeakPolarHBondContact O-CD 3.27Å; P372-M374 PolarHBondContact O-N 2.62Å; P372-D375 WeakPolarHBondContact O-CB 3.47Å; P372-D375 PolarHBondContact O-N 3.2Å; P372-D375 VanDerWaalsContact O-N 3.1Å; P372-V378 HydrophobicContact CB-CG1 4.29Å; P372-V378 HydrophobicContact CB-CG2 4.28Å; P372-H379 PolarHBondContact O-CD2 3.05Å; P372-L408 HydrophobicContact CB-CD1 4.38Å; P372-Y410 WeakPolarHBondContact CG-O 3.25Å; P372-Y411 WeakPolarHBondContact CG-O 3.44Å
373Q98.8Very high98.3Very high0 Ų029.2 Ų29.20%015%0.152CC..Iπ-helixtrans-60.2-44.4-161.8-72.8168-143.100113.8R331 A334 P368 H379R331-Q373 WeakPolarHBondContact CD-O 3.14Å; R331-Q373 HydrophobicContact CG-CB 3.78Å; R331-Q373 HydrophobicContact CG-CG 4.03Å; R331-Q373 WeakPolarHBondContact CG-O 3.06Å; R331-Q373 PolarHBondContact NH1-O 3.34Å; R331-Q373 PolarHBondContact O-NE2 3.39Å; A334-Q373 PolarHBondContact O-NE2 3.18Å; P368-Q373 VanDerWaalsContact O-CB 3.32Å; P368-Q373 WeakPolarHBondContact O-CB 3.46Å; P368-Q373 WeakPolarHBondContact O-CG 3.13Å; P368-Q373 PolarHBondContact O-N 3.06Å; Q373-H379 PolarHBondContact O-CD2 3.37Å
374M98.6Very high98.4Very high33 Ų3333.1 Ų33.116%0.16317%0.17CC..THydrogen-bonded Turntrans-102.714179-59.5-63.5-70.700113.1L332 F369 P372 P376 P382L332-M374 HydrophobicContact CD2-CE 4.4Å; L332-M374 HydrophobicContact CD2-SD 4.03Å; F369-M374 HydrophobicContact CD1-CG 4.24Å; F369-M374 HydrophobicContact CD2-CG 4.27Å; F369-M374 HydrophobicContact CE1-CG 3.97Å; F369-M374 HydrophobicContact CE2-CG 4.01Å; F369-M374 HydrophobicContact CE2-SD 4.35Å; F369-M374 HydrophobicContact CG-CG 4.39Å; F369-M374 HydrophobicContact CZ-CG 3.85Å; F369-M374 HydrophobicContact CZ-SD 4.28Å; F369-M374 WeakPolarHBondContact O-CB 3.42Å; F369-M374 WeakPolarHBondContact O-CG 3.38Å; F369-M374 PolarHBondContact O-N 3.42Å; P372-M374 PolarHBondContact O-N 2.62Å; M374-P376 WeakPolarHBondContact O-CD 3.13Å; M374-P382 WeakPolarHBondContact O-CB 3.42Å; M374-P382 WeakPolarHBondContact O-CG 3.19Å
375D98.6Very high98.4Very high6 Ų634.2 Ų34.23%0.03218%0.175CC..  trans-80.2117.9-179-162.8-44.6000110.3K53 S371 P372 E377 V378 H379 K403K53-D375 IonicContact NZ-OD2 2.78Å; K53-D375 PolarHBondContact NZ-OD2 2.85Å; S371-D375 PolarHBondContact OG-OD2 3.14Å; P372-D375 WeakPolarHBondContact O-CB 3.47Å; P372-D375 PolarHBondContact O-N 3.2Å; P372-D375 VanDerWaalsContact O-N 3.1Å; D375-E377 PolarHBondContact O-N 3.26Å; D375-E377 WeakPolarHBondContact OD1-CB 3.37Å; D375-E377 PolarHBondContact OD1-N 3.44Å; D375-V378 HydrophobicContact CB-CB 4.31Å; D375-V378 HydrophobicContact CB-CG2 3.95Å; D375-V378 PolarHBondContact O-N 3.21Å; D375-H379 PolarHBondContact O-N 3.06Å; D375-K403 IonicContact OD2-NZ 3.5Å; D375-K403 PolarHBondContact OD2-NZ 3.37Å
376P98.1Very high98.4Very high86 Ų8637 Ų3756%0.55819%0.186SC*.THydrogen-bonded Turntrans-66.8-19-176.527.6-35.5000113.8M374 P382M374-P376 WeakPolarHBondContact O-CD 3.13Å; P376-P382 HydrophobicContact CB-CG 3.99Å
377E97.8Very high98.4Very high109 Ų10938.3 Ų38.351%0.50919%0.192SC..THydrogen-bonded Turntrans-73.3-31.8173.8-167.6-177.1169.300111.6D375 K403 G404D375-E377 PolarHBondContact O-N 3.26Å; D375-E377 WeakPolarHBondContact OD1-CB 3.37Å; D375-E377 PolarHBondContact OD1-N 3.44Å; E377-K403 HydrophobicContact CG-CG 4.25Å; E377-K403 WeakPolarHBondContact OE2-CG 3.42Å; E377-G404 WeakPolarHBondContact OE1-CA 3.41Å; E377-G404 PolarHBondContact OE1-N 3.14Å
378V98.6Very high98.4Very high8 Ų842.1 Ų42.15%0.04821%0.212CC..THydrogen-bonded Turntrans-87.3-45.5179.4-174.80000111P372 D375 F401 K403 L408P372-V378 HydrophobicContact CB-CG1 4.29Å; P372-V378 HydrophobicContact CB-CG2 4.28Å; D375-V378 HydrophobicContact CB-CB 4.31Å; D375-V378 HydrophobicContact CB-CG2 3.95Å; D375-V378 PolarHBondContact O-N 3.21Å; V378-F401 HydrophobicContact CG1-CB 4.13Å; V378-F401 HydrophobicContact CG1-CD1 4.44Å; V378-K403 HydrophobicContact CG2-CB 4.03Å; V378-K403 HydrophobicContact CG2-CD 4.06Å; V378-K403 HydrophobicContact CG2-CG 4.27Å; V378-L408 HydrophobicContact CB-CD1 4.24Å; V378-L408 HydrophobicContact CG1-CD1 3.55Å; V378-L408 HydrophobicContact CG2-CD1 3.6Å
379H98.6Very high98.4Very high1 Ų143 Ų431%0.00522%0.216CC..SBendtrans-125.499-175.1-65.4-66.5000109.7P372 Q373 D375 E381 P382 R389 F401 Y411P372-H379 PolarHBondContact O-CD2 3.05Å; Q373-H379 PolarHBondContact O-CD2 3.37Å; D375-H379 PolarHBondContact O-N 3.06Å; H379-E381 PolarHBondContact O-N 3.26Å; H379-P382 HydrophobicContact CB-CB 4.34Å; H379-P382 WeakPolarHBondContact O-CA 3.4Å; H379-P382 WeakPolarHBondContact O-CB 3.4Å; H379-P382 WeakPolarHBondContact O-CD 3.26Å; H379-R389 WeakPolarHBondContact ND1-CD 3.37Å; H379-F401 AromaticContact CE1-CD1 3.57Å; H379-F401 AromaticContact CE1-CE1 3.43Å; H379-F401 VanDerWaalsContact CE1-CE1 3.43Å; H379-F401 WeakPolarHBondContact CE1-CE1 3.43Å; H379-F401 AromaticContact ND1-CD1 3.82Å; H379-F401 AromaticContact ND1-CE1 3.55Å; H379-Y411 PolarHBondContact NE2-O 3.13Å
380P97.8Very high98.4Very high83 Ų8343 Ų4354%0.53922%0.216SC..SBendtrans-57.4135.1177.7-26.734.9000112R389P380-R389 PolarHBondContact O-NH1 3.13Å
381E98.4Very high98.4Very high92 Ų9243.8 Ų43.843%0.4322%0.22SC..SBendtrans49.764-170.3-58.417092.900111.3H379 Q383 K384 K386 R389H379-E381 PolarHBondContact O-N 3.26Å; E381-Q383 PolarHBondContact O-N 3.35Å; E381-K384 HydrophobicContact CB-CB 4.36Å; E381-K384 HydrophobicContact CB-CD 4.18Å; E381-K384 HydrophobicContact CB-CG 4.27Å; E381-K384 PolarHBondContact O-N 2.81Å; E381-K384 VanDerWaalsContact OE1-CD 3.3Å; E381-K384 WeakPolarHBondContact OE1-CD 3.14Å; E381-K384 WeakPolarHBondContact OE1-CE 3.32Å; E381-K384 IonicContact OE1-NZ 2.67Å; E381-K384 PolarHBondContact OE1-NZ 3.44Å; E381-K386 WeakPolarHBondContact OE2-CE 3.38Å; E381-K386 IonicContact OE2-NZ 3.57Å; E381-K386 PolarHBondContact OE2-NZ 2.92Å; E381-R389 PolarHBondContact O-NH2 3.4Å; E381-R389 VanDerWaalsContact O-NH2 3.17Å
382P98.4Very high98.4Very high4 Ų447.2 Ų47.23%0.02624%0.238CC..THydrogen-bonded Turntrans-66.2-18.2-168.324.1-31.2000112.9R331 L332 M374 P376 H379R331-P382 VanDerWaalsContact CZ-O 3.25Å; R331-P382 PolarHBondContact NH1-O 2.82Å; R331-P382 PolarHBondContact NH2-O 2.82Å; L332-P382 VanDerWaalsContact CD2-O 3.26Å; L332-P382 WeakPolarHBondContact CD2-O 3.27Å; M374-P382 WeakPolarHBondContact O-CB 3.42Å; M374-P382 WeakPolarHBondContact O-CG 3.19Å; P376-P382 HydrophobicContact CB-CG 3.99Å; H379-P382 HydrophobicContact CB-CB 4.34Å; H379-P382 WeakPolarHBondContact O-CA 3.4Å; H379-P382 WeakPolarHBondContact O-CB 3.4Å; H379-P382 WeakPolarHBondContact O-CD 3.26Å
383Q97.9Very high98.2Very high137 Ų13757.3 Ų57.364%0.6429%0.285SS*.THydrogen-bonded Turntrans-79.6-20.7178.6-3.7-67.33.600112.7E381E381-Q383 PolarHBondContact O-N 3.35Å
384K98.3Very high98Very high117 Ų11763.3 Ų63.351%0.50932%0.317SS..SBendtrans-87.1135.7-177.1-68.2-171.4179.9173.60110.7E328 R331 E381 K386 R389E328-K384 VanDerWaalsContact OE1-O 3.07Å; R331-K384 PolarHBondContact NH2-O 2.87Å; E381-K384 HydrophobicContact CB-CB 4.36Å; E381-K384 HydrophobicContact CB-CD 4.18Å; E381-K384 HydrophobicContact CB-CG 4.27Å; E381-K384 PolarHBondContact O-N 2.81Å; E381-K384 VanDerWaalsContact OE1-CD 3.3Å; E381-K384 WeakPolarHBondContact OE1-CD 3.14Å; E381-K384 WeakPolarHBondContact OE1-CE 3.32Å; E381-K384 IonicContact OE1-NZ 2.67Å; E381-K384 PolarHBondContact OE1-NZ 3.44Å; K384-K386 PolarHBondContact O-N 3.35Å; K384-R389 PolarHBondContact O-NH2 3.17Å
385F98.8Very high97.7Very high24 Ų2463.3 Ų63.311%0.10533%0.326CS..  trans-70.7121.1166.9177.1-98.9000109.6Y284 N288 A291 V325 E328 L332 F387Y284-F385 HydrophobicContact CD1-CB 3.55Å; Y284-F385 HydrophobicContact CD1-CD1 4.24Å; Y284-F385 AromaticContact CD1-CD2 3.67Å; Y284-F385 HydrophobicContact CD1-CD2 3.67Å; Y284-F385 HydrophobicContact CD1-CE2 4.45Å; Y284-F385 AromaticContact CD1-CG 3.55Å; Y284-F385 HydrophobicContact CD1-CG 3.55Å; Y284-F385 AromaticContact CD2-CD2 3.75Å; Y284-F385 HydrophobicContact CD2-CD2 3.75Å; Y284-F385 HydrophobicContact CD2-CE2 4.01Å; Y284-F385 HydrophobicContact CD2-CG 4.47Å; Y284-F385 HydrophobicContact CE1-CB 3.79Å; Y284-F385 HydrophobicContact CE1-CD2 4.23Å; Y284-F385 HydrophobicContact CE1-CG 4.2Å; Y284-F385 HydrophobicContact CE2-CD2 4.31Å; Y284-F385 HydrophobicContact CG-CB 4.24Å; Y284-F385 HydrophobicContact CG-CD1 4.33Å; Y284-F385 AromaticContact CG-CD2 3.44Å; Y284-F385 HydrophobicContact CG-CD2 3.44Å; Y284-F385 VanDerWaalsContact CG-CD2 3.44Å; Y284-F385 AromaticContact CG-CE2 3.81Å; Y284-F385 HydrophobicContact CG-CE2 3.81Å; Y284-F385 AromaticContact CG-CG 3.75Å; Y284-F385 HydrophobicContact CG-CG 3.75Å; Y284-F385 HydrophobicContact CG-CZ 4.38Å; N288-F385 HydrophobicContact CB-CD1 4.39Å; N288-F385 HydrophobicContact CB-CE1 4.37Å; A291-F385 HydrophobicContact CB-CE1 3.97Å; V325-F385 HydrophobicContact CG1-CZ 4.26Å; V325-F385 HydrophobicContact CG2-CZ 4.49Å; E328-F385 HydrophobicContact CB-CD2 4.32Å; E328-F385 HydrophobicContact CB-CE2 4.05Å; E328-F385 HydrophobicContact CG-CD2 3.46Å; E328-F385 VanDerWaalsContact CG-CD2 3.46Å; E328-F385 HydrophobicContact CG-CE2 3.67Å; E328-F385 HydrophobicContact CG-CG 4.28Å; L332-F385 HydrophobicContact CD1-CB 3.9Å; L332-F385 HydrophobicContact CD1-CD2 3.99Å; L332-F385 HydrophobicContact CD1-CG 4.46Å; F385-F387 HydrophobicContact CE1-CB 3.75Å; F385-F387 HydrophobicContact CZ-CB 3.88Å
386K98.8Very high97.4Very high60 Ų6065.3 Ų65.326%0.26134%0.34SS..  trans-125.9102.1173-65.1-175.9-177.6-179.50108.6E328 E381 K384 N388 R389E328-K386 WeakPolarHBondContact CG-O 3.22Å; E328-K386 PolarHBondContact OE1-N 3.13Å; E381-K386 WeakPolarHBondContact OE2-CE 3.38Å; E381-K386 IonicContact OE2-NZ 3.57Å; E381-K386 PolarHBondContact OE2-NZ 2.92Å; K384-K386 PolarHBondContact O-N 3.35Å; K386-N388 PolarHBondContact O-N 3.37Å; K386-R389 HydrophobicContact CB-CB 4.14Å; K386-R389 VanDerWaalsContact O-CB 3.27Å; K386-R389 WeakPolarHBondContact O-CB 3.15Å; K386-R389 PolarHBondContact O-N 2.87Å
387F98.6Very high97.3Very high28 Ų2864.6 Ų64.612%0.12333%0.334CS..THydrogen-bonded Turntrans-57.8-27.6-171.882.4-87000113.8E290 A291 A294 V321 S324 V325 F385E290-F387 HydrophobicContact CG-CE1 3.92Å; E290-F387 HydrophobicContact CG-CZ 4.29Å; A291-F387 HydrophobicContact CB-CB 3.5Å; A291-F387 HydrophobicContact CB-CD1 3.97Å; A291-F387 HydrophobicContact CB-CD2 4.43Å; A291-F387 HydrophobicContact CB-CG 3.72Å; A294-F387 HydrophobicContact CB-CD2 4.36Å; A294-F387 HydrophobicContact CB-CE2 3.76Å; A294-F387 HydrophobicContact CB-CZ 4.3Å; V321-F387 HydrophobicContact CG1-CD2 4.21Å; V321-F387 HydrophobicContact CG1-CE2 4.29Å; S324-F387 CarbonylContact C-O 3.53Å; S324-F387 WeakPolarHBondContact CB-O 3.42Å; S324-F387 PolarHBondContact OG-O 3.41Å; V325-F387 HydrophobicContact CG2-CB 3.77Å; V325-F387 HydrophobicContact CG2-CD2 4.43Å; F385-F387 HydrophobicContact CE1-CB 3.75Å; F385-F387 HydrophobicContact CZ-CB 3.88Å
388N98.3Very high97.3Very high80 Ų8062.8 Ų62.843%0.42833%0.325SS..THydrogen-bonded Turntrans-98.912-179.963.7-8.2000113.6K386 F390 L391K386-N388 PolarHBondContact O-N 3.37Å; N388-F390 PolarHBondContact O-N 3.29Å; N388-F390 VanDerWaalsContact O-N 3.08Å; N388-L391 HydrophobicContact CB-CB 4.38Å; N388-L391 HydrophobicContact CB-CD1 4.14Å; N388-L391 PolarHBondContact O-N 3.37Å
389R98.6Very high97.1Very high20 Ų2068.4 Ų68.48%0.07535%0.348CS..THydrogen-bonded Turntrans-56.2-30.1-178.1-170.2178.8-61.2-91.46.6113E328 H379 P380 E381 K384 K386E328-R389 IonicContact OE1-CZ 3.57Å; E328-R389 IonicContact OE1-NE 2.7Å; E328-R389 PolarHBondContact OE1-NE 3.4Å; E328-R389 IonicContact OE1-NH2 2.75Å; E328-R389 PolarHBondContact OE1-NH2 2.98Å; E328-R389 WeakPolarHBondContact OE2-CD 3.2Å; E328-R389 IonicContact OE2-NE 3.5Å; E328-R389 PolarHBondContact OE2-NE 3.03Å; H379-R389 WeakPolarHBondContact ND1-CD 3.37Å; P380-R389 PolarHBondContact O-NH1 3.13Å; E381-R389 PolarHBondContact O-NH2 3.4Å; E381-R389 VanDerWaalsContact O-NH2 3.17Å; K384-R389 PolarHBondContact O-NH2 3.17Å; K386-R389 HydrophobicContact CB-CB 4.14Å; K386-R389 VanDerWaalsContact O-CB 3.27Å; K386-R389 WeakPolarHBondContact O-CB 3.15Å; K386-R389 PolarHBondContact O-N 2.87Å
390F98.6Very high97.1Very high7 Ų771.7 Ų71.73%0.03137%0.366CS..THydrogen-bonded Turntrans-104.623-180-58.9-86.1000112.6S324 E327 E328 R331 N388 K398 F401 Y411 T412S324-F390 PolarHBondContact OG-N 3.22Å; E327-F390 HydrophobicContact CB-CD1 4.49Å; E327-F390 HydrophobicContact CB-CD2 3.79Å; E327-F390 HydrophobicContact CB-CE2 4.02Å; E327-F390 HydrophobicContact CB-CG 4.05Å; E327-F390 HydrophobicContact CB-CZ 4.43Å; E327-F390 HydrophobicContact CG-CD1 3.87Å; E327-F390 HydrophobicContact CG-CD2 3.93Å; E327-F390 HydrophobicContact CG-CE1 3.77Å; E327-F390 HydrophobicContact CG-CE2 3.86Å; E327-F390 HydrophobicContact CG-CG 3.94Å; E327-F390 HydrophobicContact CG-CZ 3.76Å; E328-F390 HydrophobicContact CB-CD2 4.23Å; E328-F390 HydrophobicContact CB-CE2 4.02Å; E328-F390 WeakPolarHBondContact OE2-CE2 3.24Å; R331-F390 HydrophobicContact CB-CZ 4.4Å; N388-F390 PolarHBondContact O-N 3.29Å; N388-F390 VanDerWaalsContact O-N 3.08Å; F390-K398 PolarHBondContact O-N 2.99Å; F390-F401 AromaticContact CD1-CE2 3.83Å; F390-F401 HydrophobicContact CD1-CE2 3.83Å; F390-F401 AromaticContact CD1-CZ 3.6Å; F390-F401 HydrophobicContact CD1-CZ 3.6Å; F390-F401 HydrophobicContact CE1-CE1 4.5Å; F390-F401 AromaticContact CE1-CE2 3.99Å; F390-F401 HydrophobicContact CE1-CE2 3.99Å; F390-F401 AromaticContact CE1-CZ 3.71Å; F390-F401 HydrophobicContact CE1-CZ 3.71Å; F390-F401 HydrophobicContact CG-CZ 4.47Å; F390-Y411 HydrophobicContact CD1-CD2 4.49Å; F390-Y411 HydrophobicContact CD1-CE2 4.02Å; F390-Y411 AromaticContact CE1-CD2 3.88Å; F390-Y411 HydrophobicContact CE1-CD2 3.88Å; F390-Y411 AromaticContact CE1-CE2 3.79Å; F390-Y411 HydrophobicContact CE1-CE2 3.79Å; F390-T412 HydrophobicContact CE1-CG2 4.35Å
391L98.4Very high97.1Very high25 Ų2568.1 Ų68.113%0.13134%0.342CS..BIsolated β-bridgetrans-116.2146170.8-59.8177000110.6P320 V321 N388 S396P320-L391 HydrophobicContact CB-CD2 4.19Å; V321-L391 HydrophobicContact CG2-CD1 4.33Å; N388-L391 HydrophobicContact CB-CB 4.38Å; N388-L391 HydrophobicContact CB-CD1 4.14Å; N388-L391 PolarHBondContact O-N 3.37Å; L391-S396 CarbonylContact C-O 3.55Å; L391-S396 WeakPolarHBondContact CA-O 3.25Å
392N97.7Very high97.1Very high71 Ų7169 Ų6938%0.3834%0.342SS..  trans-82.9170.4163.8-64.8-44.5000109.5D394 G395 S396 K398N392-D394 VanDerWaalsContact CB-OD1 3.26Å; N392-D394 WeakPolarHBondContact CB-OD1 3.42Å; N392-D394 PolarHBondContact O-N 3.32Å; N392-G395 PolarHBondContact O-N 3.48Å; N392-S396 PolarHBondContact N-O 3.12Å; N392-S396 PolarHBondContact ND2-OG 3.43Å; N392-K398 WeakPolarHBondContact OD1-CB 3.4Å; N392-K398 WeakPolarHBondContact OD1-CG 3.44Å
393E94.3Very high97.1Very high213 Ų21369.5 Ų69.5100%0.99534%0.344SS*.THydrogen-bonded Turntrans-60.4-30.3179.6-65.1-179174.600113.1G395E393-G395 PolarHBondContact O-N 2.95Å
394D94.2Very high97Very high125 Ų12565.7 Ų65.767%0.66834%0.341SS*.THydrogen-bonded Turntrans-79.21.3175.871.6-13.2000113.8N392 S396N392-D394 VanDerWaalsContact CB-OD1 3.26Å; N392-D394 WeakPolarHBondContact CB-OD1 3.42Å; N392-D394 PolarHBondContact O-N 3.32Å; D394-S396 VanDerWaalsContact C-N 3.29Å; D394-S396 PolarHBondContact O-N 3.36Å; D394-S396 WeakPolarHBondContact OD1-CB 3.12Å; D394-S396 PolarHBondContact OD1-N 3.41Å; D394-S396 PolarHBondContact OD1-OG 3.34Å; D394-S396 PolarHBondContact OD2-OG 2.89Å
395G92.3Very high96.8Very high34 Ų3463.8 Ų63.835%0.35135%0.354SS..SBendtrans79.92.3-177.100000114.7N392 E393N392-G395 PolarHBondContact O-N 3.48Å; E393-G395 PolarHBondContact O-N 2.95Å
396S93.8Very high96.8Very high47 Ų4768.2 Ų68.233%0.32937%0.374SS..PPolyproline II helixtrans-73.7158.517370.30000111.8L391 N392 D394 K398L391-S396 CarbonylContact C-O 3.55Å; L391-S396 WeakPolarHBondContact CA-O 3.25Å; N392-S396 PolarHBondContact N-O 3.12Å; N392-S396 PolarHBondContact ND2-OG 3.43Å; D394-S396 VanDerWaalsContact C-N 3.29Å; D394-S396 PolarHBondContact O-N 3.36Å; D394-S396 WeakPolarHBondContact OD1-CB 3.12Å; D394-S396 PolarHBondContact OD1-N 3.41Å; D394-S396 PolarHBondContact OD1-OG 3.34Å; D394-S396 PolarHBondContact OD2-OG 2.89Å; S396-K398 PolarHBondContact O-N 3.18Å
397V94.8Very high96.7Very high71 Ų7170.6 Ų70.643%0.4338%0.384SS..BIsolated β-bridgetrans-68.7120.2-178.9179.40000110.6P320 K399P320-V397 HydrophobicContact CB-CG2 4.46Å; V397-K399 HydrophobicContact CG1-CG 4.08Å
398K97.7Very high96.7Very high72 Ų7269.5 Ų69.531%0.31338%0.379SS..PPolyproline II helixtrans-80122.8173.8-177.8177.3178.4176.90110.8F390 N392 S396 D400 F401F390-K398 PolarHBondContact O-N 2.99Å; N392-K398 WeakPolarHBondContact OD1-CB 3.4Å; N392-K398 WeakPolarHBondContact OD1-CG 3.44Å; S396-K398 PolarHBondContact O-N 3.18Å; K398-D400 WeakPolarHBondContact CE-O 3.24Å; K398-F401 HydrophobicContact CD-CZ 4.17Å; K398-F401 HydrophobicContact CG-CE2 4.17Å; K398-F401 HydrophobicContact CG-CZ 4.22Å
399K95.5Very high96.6Very high125 Ų12571.8 Ų71.854%0.54339%0.386SS..  trans-121.4-4178-60.9-178.2-178.4173.60113.5V397 Y411V397-K399 HydrophobicContact CG1-CG 4.08Å; K399-Y411 HydrophobicContact CB-CE1 4.4Å; K399-Y411 WeakPolarHBondContact O-CE1 3.28Å
400D97.4Very high96.6Very high70 Ų7072.8 Ų72.837%0.37439%0.39SS..  trans-101.1103.5-170.9-72.516.2000108.9K398 Y402 K407K398-D400 WeakPolarHBondContact CE-O 3.24Å; D400-Y402 HydrophobicContact CB-CE2 4.01Å; D400-K407 WeakPolarHBondContact OD1-CE 3.15Å; D400-K407 IonicContact OD1-NZ 2.69Å; D400-K407 PolarHBondContact OD1-NZ 3.12Å; D400-K407 IonicContact OD2-NZ 3.61Å; D400-K407 PolarHBondContact OD2-NZ 3.3Å
401F98.5Very high96.5Very high8 Ų874.7 Ų74.74%0.03540%0.397CS..  trans-128.7149.3177.9-66.2-94.6000108.5V378 H379 F390 K398 L408 Y411V378-F401 HydrophobicContact CG1-CB 4.13Å; V378-F401 HydrophobicContact CG1-CD1 4.44Å; H379-F401 AromaticContact CE1-CD1 3.57Å; H379-F401 AromaticContact CE1-CE1 3.43Å; H379-F401 VanDerWaalsContact CE1-CE1 3.43Å; H379-F401 WeakPolarHBondContact CE1-CE1 3.43Å; H379-F401 AromaticContact ND1-CD1 3.82Å; H379-F401 AromaticContact ND1-CE1 3.55Å; F390-F401 AromaticContact CD1-CE2 3.83Å; F390-F401 HydrophobicContact CD1-CE2 3.83Å; F390-F401 AromaticContact CD1-CZ 3.6Å; F390-F401 HydrophobicContact CD1-CZ 3.6Å; F390-F401 HydrophobicContact CE1-CE1 4.5Å; F390-F401 AromaticContact CE1-CE2 3.99Å; F390-F401 HydrophobicContact CE1-CE2 3.99Å; F390-F401 AromaticContact CE1-CZ 3.71Å; F390-F401 HydrophobicContact CE1-CZ 3.71Å; F390-F401 HydrophobicContact CG-CZ 4.47Å; K398-F401 HydrophobicContact CD-CZ 4.17Å; K398-F401 HydrophobicContact CG-CE2 4.17Å; K398-F401 HydrophobicContact CG-CZ 4.22Å; F401-L408 PolarHBondContact O-N 2.95Å; F401-Y411 HydrophobicContact CB-CD1 4.46Å; F401-Y411 HydrophobicContact CB-CG 4.03Å; F401-Y411 AromaticContact CD2-CD1 3.78Å; F401-Y411 HydrophobicContact CD2-CD1 3.78Å; F401-Y411 AromaticContact CD2-CD2 3.42Å; F401-Y411 HydrophobicContact CD2-CD2 3.42Å; F401-Y411 VanDerWaalsContact CD2-CD2 3.42Å; F401-Y411 HydrophobicContact CD2-CE1 4.2Å; F401-Y411 AromaticContact CD2-CE2 3.88Å; F401-Y411 HydrophobicContact CD2-CE2 3.88Å; F401-Y411 AromaticContact CD2-CG 3.36Å; F401-Y411 HydrophobicContact CD2-CG 3.36Å; F401-Y411 AromaticContact CE2-CD2 3.58Å; F401-Y411 HydrophobicContact CE2-CD2 3.58Å; F401-Y411 AromaticContact CE2-CE2 3.71Å; F401-Y411 HydrophobicContact CE2-CE2 3.71Å; F401-Y411 HydrophobicContact CE2-CG 4.04Å; F401-Y411 HydrophobicContact CG-CD2 4.14Å; F401-Y411 AromaticContact CG-CG 3.89Å; F401-Y411 HydrophobicContact CG-CG 3.89Å; F401-Y411 HydrophobicContact CZ-CD2 4.42Å
402Y98.5Very high96.5Very high112 Ų11274.3 Ų74.344%0.43940%0.396SS..EExtended strand (participates in β ladder)trans-133.9153.4-167.7-61.1-99.8000110.8D400 K406 K407D400-Y402 HydrophobicContact CB-CE2 4.01Å; Y402-K406 VanDerWaalsContact CA-O 3.29Å; Y402-K406 WeakPolarHBondContact CA-O 3.39Å; Y402-K407 HydrophobicContact CD1-CB 3.96Å; Y402-K407 HydrophobicContact CE1-CB 3.67Å; Y402-K407 HydrophobicContact CE1-CG 4.19Å
403K97.9Very high96.5Very high14 Ų1471.2 Ų71.26%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-148.5131.6169.4-170.2176.1175.2170.10108.8P75 H76 S371 D375 E377 V378 G405 K406 L408P75-K403 HydrophobicContact CG-CD 3.97Å; H76-K403 PolarHBondContact NE2-O 3.07Å; S371-K403 PolarHBondContact OG-NZ 3.5Å; D375-K403 IonicContact OD2-NZ 3.5Å; D375-K403 PolarHBondContact OD2-NZ 3.37Å; E377-K403 HydrophobicContact CG-CG 4.25Å; E377-K403 WeakPolarHBondContact OE2-CG 3.42Å; V378-K403 HydrophobicContact CG2-CB 4.03Å; V378-K403 HydrophobicContact CG2-CD 4.06Å; V378-K403 HydrophobicContact CG2-CG 4.27Å; K403-G405 PolarHBondContact O-N 2.92Å; K403-K406 PolarHBondContact N-O 3.08Å; K403-K406 PolarHBondContact O-N 3.13Å; K403-K406 VanDerWaalsContact O-N 3.08Å; K403-L408 HydrophobicContact CB-CD1 4.09Å; K403-L408 HydrophobicContact CB-CD2 4.19Å; K403-L408 HydrophobicContact CB-CG 4.21Å
404G95.6Very high96.6Very high57 Ų5761.9 Ų61.959%0.58834%0.337SS*.THydrogen-bonded Turntrans59.136.1-176.100000112.5E377 K406E377-G404 WeakPolarHBondContact OE1-CA 3.41Å; E377-G404 PolarHBondContact OE1-N 3.14Å; G404-K406 PolarHBondContact O-N 3.48Å; G404-K406 VanDerWaalsContact O-N 3.14Å
405G95.3Very high96.8Very high76 Ų7657.9 Ų57.978%0.78431%0.313SS*.THydrogen-bonded Turntrans69.91.7-175.600000115.5K403K403-G405 PolarHBondContact O-N 2.92Å
406K97.1Very high96.9Very high117 Ų11757.4 Ų57.451%0.50931%0.308SS..EExtended strand (participates in β ladder)trans-107.3138.4-179.9-64.8178.7-177.2178.30111H76 Y402 K403 G404H76-K406 PolarHBondContact CE1-O 3.39Å; Y402-K406 VanDerWaalsContact CA-O 3.29Å; Y402-K406 WeakPolarHBondContact CA-O 3.39Å; K403-K406 PolarHBondContact N-O 3.08Å; K403-K406 PolarHBondContact O-N 3.13Å; K403-K406 VanDerWaalsContact O-N 3.08Å; G404-K406 PolarHBondContact O-N 3.48Å; G404-K406 VanDerWaalsContact O-N 3.14Å
407K98.1Very high96.7Very high110 Ų11055.7 Ų55.748%0.47830%0.296SS..EExtended strand (participates in β ladder)trans-65.4133176.6-173.9172.5179.7162.40110.3D400 Y402D400-K407 WeakPolarHBondContact OD1-CE 3.15Å; D400-K407 IonicContact OD1-NZ 2.69Å; D400-K407 PolarHBondContact OD1-NZ 3.12Å; D400-K407 IonicContact OD2-NZ 3.61Å; D400-K407 PolarHBondContact OD2-NZ 3.3Å; Y402-K407 HydrophobicContact CD1-CB 3.96Å; Y402-K407 HydrophobicContact CE1-CB 3.67Å; Y402-K407 HydrophobicContact CE1-CG 4.19Å
408L98.3Very high96.3Very high5 Ų554.4 Ų54.43%0.02630%0.297CS..  trans-84.9129.6177.6-73.5169.1000111.1P75 H76 P372 V378 F401 K403P75-L408 HydrophobicContact CB-CD2 3.95Å; P75-L408 HydrophobicContact CG-CD2 3.57Å; H76-L408 VanDerWaalsContact CE1-CD2 3.43Å; H76-L408 WeakPolarHBondContact CE1-CD2 3.3Å; P372-L408 HydrophobicContact CB-CD1 4.38Å; V378-L408 HydrophobicContact CB-CD1 4.24Å; V378-L408 HydrophobicContact CG1-CD1 3.55Å; V378-L408 HydrophobicContact CG2-CD1 3.6Å; F401-L408 PolarHBondContact O-N 2.95Å; K403-L408 HydrophobicContact CB-CD1 4.09Å; K403-L408 HydrophobicContact CB-CD2 4.19Å; K403-L408 HydrophobicContact CB-CG 4.21Å
409K96.8Very high95.4Very high128 Ų12854.2 Ų54.256%0.55730%0.303SS*.SBendtrans-68-40.8163.8-177-175.6-180-169.80111.2D79D79-K409 IonicContact OD1-NZ 2.69Å; D79-K409 PolarHBondContact OD1-NZ 3.47Å; D79-K409 WeakPolarHBondContact OD2-CD 3.37Å; D79-K409 IonicContact OD2-NZ 2.73Å; D79-K409 PolarHBondContact OD2-NZ 3.36Å
410Y96.9Very high94.8Very high42 Ų4250.9 Ų50.917%0.16529%0.291CS..  trans-116.3101.8178.6-54.8-63.4000109.5D79 I82 P372 M413 A417D79-Y410 WeakPolarHBondContact OD1-CE2 3.45Å; D79-Y410 PolarHBondContact OD1-OH 2.93Å; I82-Y410 HydrophobicContact CD1-CE2 4.21Å; P372-Y410 WeakPolarHBondContact CG-O 3.25Å; Y410-M413 HydrophobicContact CD1-CE 4.05Å; Y410-M413 HydrophobicContact CD1-CG 4.47Å; Y410-M413 HydrophobicContact CD2-CE 4.32Å; Y410-M413 HydrophobicContact CE1-CE 4.47Å; Y410-M413 HydrophobicContact CG-CE 3.97Å; Y410-M413 HydrophobicContact CG-CG 4.39Å; Y410-M413 HydrophobicContact CG-SD 4.07Å; Y410-A417 HydrophobicContact CE1-CB 4.2Å
411Y97.4Very high94.5Very high46 Ų4648.3 Ų48.318%0.1828%0.281CS..SBendtrans-102.8-9.4175.854.4-97.7000113.3P372 H379 F390 K399 F401P372-Y411 WeakPolarHBondContact CG-O 3.44Å; H379-Y411 PolarHBondContact NE2-O 3.13Å; F390-Y411 HydrophobicContact CD1-CD2 4.49Å; F390-Y411 HydrophobicContact CD1-CE2 4.02Å; F390-Y411 AromaticContact CE1-CD2 3.88Å; F390-Y411 HydrophobicContact CE1-CD2 3.88Å; F390-Y411 AromaticContact CE1-CE2 3.79Å; F390-Y411 HydrophobicContact CE1-CE2 3.79Å; K399-Y411 HydrophobicContact CB-CE1 4.4Å; K399-Y411 WeakPolarHBondContact O-CE1 3.28Å; F401-Y411 HydrophobicContact CB-CD1 4.46Å; F401-Y411 HydrophobicContact CB-CG 4.03Å; F401-Y411 AromaticContact CD2-CD1 3.78Å; F401-Y411 HydrophobicContact CD2-CD1 3.78Å; F401-Y411 AromaticContact CD2-CD2 3.42Å; F401-Y411 HydrophobicContact CD2-CD2 3.42Å; F401-Y411 VanDerWaalsContact CD2-CD2 3.42Å; F401-Y411 HydrophobicContact CD2-CE1 4.2Å; F401-Y411 AromaticContact CD2-CE2 3.88Å; F401-Y411 HydrophobicContact CD2-CE2 3.88Å; F401-Y411 AromaticContact CD2-CG 3.36Å; F401-Y411 HydrophobicContact CD2-CG 3.36Å; F401-Y411 AromaticContact CE2-CD2 3.58Å; F401-Y411 HydrophobicContact CE2-CD2 3.58Å; F401-Y411 AromaticContact CE2-CE2 3.71Å; F401-Y411 HydrophobicContact CE2-CE2 3.71Å; F401-Y411 HydrophobicContact CE2-CG 4.04Å; F401-Y411 HydrophobicContact CG-CD2 4.14Å; F401-Y411 AromaticContact CG-CG 3.89Å; F401-Y411 HydrophobicContact CG-CG 3.89Å; F401-Y411 HydrophobicContact CZ-CD2 4.42Å
412T97.6Very high94.4Very high18 Ų1850.8 Ų50.811%0.1130%0.299CS..  trans-160.2143175.4-178.50000107.3E327 F390 P414E327-T412 HydrophobicContact CG-CG2 4.16Å; E327-T412 WeakPolarHBondContact OE1-CG2 3.5Å; E327-T412 PolarHBondContact OE1-OG1 2.78Å; E327-T412 VanDerWaalsContact OE1-OG1 3.05Å; F390-T412 HydrophobicContact CE1-CG2 4.35Å; T412-P414 VanDerWaalsContact OG1-CD 3.29Å; T412-P414 WeakPolarHBondContact OG1-CD 3.05Å
413M97.9Very high94.2Very high5 Ų547 Ų473%0.02529%0.287CS..  trans-142.347.2-176.9-52.4176.576.500114.4Y78 I82 I338 P368 Y410 W415 G416 A417Y78-M413 HydrophobicContact CD2-CE 4.24Å; Y78-M413 HydrophobicContact CD2-SD 3.54Å; Y78-M413 VanDerWaalsContact CD2-SD 3.54Å; Y78-M413 HydrophobicContact CE2-SD 3.78Å; I82-M413 HydrophobicContact CD1-CE 4.02Å; I338-M413 HydrophobicContact CD1-CE 4.03Å; P368-M413 HydrophobicContact CB-CB 3.74Å; P368-M413 HydrophobicContact CB-CG 4.16Å; P368-M413 HydrophobicContact CB-SD 3.95Å; P368-M413 HydrophobicContact CG-CB 4Å; P368-M413 HydrophobicContact CG-CG 4.44Å; P368-M413 HydrophobicContact CG-SD 3.78Å; Y410-M413 HydrophobicContact CD1-CE 4.05Å; Y410-M413 HydrophobicContact CD1-CG 4.47Å; Y410-M413 HydrophobicContact CD2-CE 4.32Å; Y410-M413 HydrophobicContact CE1-CE 4.47Å; Y410-M413 HydrophobicContact CG-CE 3.97Å; Y410-M413 HydrophobicContact CG-CG 4.39Å; Y410-M413 HydrophobicContact CG-SD 4.07Å; M413-W415 PolarHBondContact O-N 3.33Å; M413-W415 VanDerWaalsContact O-N 3.14Å; M413-G416 PolarHBondContact O-N 2.86Å; M413-G416 VanDerWaalsContact O-N 3.15Å; M413-A417 HydrophobicContact CE-CB 3.33Å
414P97.7Very high94.1Very high18 Ų1847.1 Ų47.112%0.11729%0.293CS..THydrogen-bonded Turntrans-64.2-22.9-178.427.5-36000113.1L330 A334 T412L330-P414 HydrophobicContact CB-CB 3.71Å; L330-P414 HydrophobicContact CB-CG 3.84Å; L330-P414 HydrophobicContact CD1-CB 4.23Å; L330-P414 HydrophobicContact CD1-CG 4.01Å; L330-P414 HydrophobicContact CD2-CB 4.39Å; L330-P414 HydrophobicContact CG-CB 4.34Å; L330-P414 HydrophobicContact CG-CG 4.49Å; A334-P414 HydrophobicContact CB-CB 3.42Å; A334-P414 VanDerWaalsContact CB-CB 3.42Å; T412-P414 VanDerWaalsContact OG1-CD 3.29Å; T412-P414 WeakPolarHBondContact OG1-CD 3.05Å
415W97.4Very high94.2Very high40 Ų4049.3 Ų49.315%0.15228%0.283CS..THydrogen-bonded Turntrans-96.57.7-178-51.4105.8000113.5L330 M413 G421 C422 R425 A428 I429L330-W415 HydrophobicContact CD1-CH2 4.37Å; L330-W415 HydrophobicContact CD1-CZ2 3.48Å; L330-W415 VanDerWaalsContact CD1-CZ2 3.48Å; M413-W415 PolarHBondContact O-N 3.33Å; M413-W415 VanDerWaalsContact O-N 3.14Å; W415-G421 CarbonylContact O-C 3.53Å; W415-G421 WeakPolarHBondContact O-CA 3.29Å; W415-C422 HydrophobicContact CB-CB 4.18Å; W415-C422 HydrophobicContact CE3-CB 4.01Å; W415-C422 PolarHBondContact O-N 3.45Å; W415-R425 VanDerWaalsContact CD1-NE 3.33Å; W415-R425 HydrophobicContact CD2-CB 4.13Å; W415-R425 HydrophobicContact CD2-CG 3.62Å; W415-R425 HydrophobicContact CE3-CB 4Å; W415-R425 HydrophobicContact CE3-CG 3.96Å; W415-R425 HydrophobicContact CG-CB 4.47Å; W415-R425 HydrophobicContact CG-CG 3.89Å; W415-R425 HydrophobicContact CZ2-CG 4.29Å; W415-R425 HydrophobicContact CZ3-CB 4.47Å; W415-R425 HydrophobicContact CZ3-CG 4.42Å; W415-A428 HydrophobicContact CH2-CB 3.91Å; W415-A428 HydrophobicContact CZ3-CB 3.93Å; W415-I429 HydrophobicContact CH2-CG1 4Å; W415-I429 HydrophobicContact CZ2-CD1 3.98Å; W415-I429 HydrophobicContact CZ2-CG1 3.61Å
416G93.7Very high94.2Very high24 Ų2450.1 Ų50.125%0.24727%0.267CS..  trans68.4-160-168.200000112.3M413M413-G416 PolarHBondContact O-N 2.86Å; M413-G416 VanDerWaalsContact O-N 3.15Å
417A90.4Very high94.2Very high11 Ų1145.4 Ų45.49%0.09125%0.246CC..  trans-154.8166.5178.900000113I82 Y410 M413 N420 G421I82-A417 HydrophobicContact CD1-CB 3.63Å; I82-A417 HydrophobicContact CG1-CB 4.43Å; I82-A417 HydrophobicContact CG2-CB 4.45Å; Y410-A417 HydrophobicContact CE1-CB 4.2Å; M413-A417 HydrophobicContact CE-CB 3.33Å; A417-N420 CarbonylContact O-C 3.58Å; A417-N420 PolarHBondContact O-N 2.65Å; A417-G421 PolarHBondContact O-N 2.69Å
418G86.3Confident94.2Very high44 Ų4440.8 Ų40.845%0.45423%0.228SC..G310 helixtrans57.7-143.417900000113.9N420 G421G418-N420 PolarHBondContact O-N 3.33Å; G418-N420 VanDerWaalsContact O-N 3.12Å; G418-G421 PolarHBondContact O-N 3.13Å; G418-G421 VanDerWaalsContact O-N 3.11Å
419T79.1Confident94.1Very high69 Ų6941.4 Ų41.442%0.42323%0.231SC..G310 helixtrans-67.3-5.6178.255.40000113.8K115K115-T419 WeakPolarHBondContact CD-O 3.29Å; K115-T419 WeakPolarHBondContact CE-O 2.98Å; K115-T419 PolarHBondContact NZ-O 3.36Å
420N83.5Confident94.1Very high54 Ų5437 Ų3729%0.28921%0.214SC..G310 helixtrans-111.28.7174.1-65-34.6000113.4F90 R340 A417 G418F90-N420 VanDerWaalsContact CB-ND2 3.27Å; F90-N420 WeakPolarHBondContact CB-ND2 3.08Å; F90-N420 VanDerWaalsContact CD1-OD1 3.29Å; F90-N420 WeakPolarHBondContact CD1-OD1 3.24Å; F90-N420 WeakPolarHBondContact CD2-ND2 3.1Å; F90-N420 WeakPolarHBondContact CG-ND2 3.31Å; R340-N420 VanDerWaalsContact CZ-ND2 3.28Å; R340-N420 PolarHBondContact NH1-ND2 3.11Å; R340-N420 PolarHBondContact NH2-ND2 3.14Å; R340-N420 VanDerWaalsContact NH2-ND2 3.12Å; A417-N420 CarbonylContact O-C 3.58Å; A417-N420 PolarHBondContact O-N 2.65Å; G418-N420 PolarHBondContact O-N 3.33Å; G418-N420 VanDerWaalsContact O-N 3.12Å
421G91.3Very high94Very high17 Ų1735.3 Ų35.318%0.17521%0.208CC..SBendtrans-65.2147172.800000112.8K115 W415 A417 G418 V423K115-G421 PolarHBondContact NZ-O 3.11Å; K115-G421 VanDerWaalsContact NZ-O 3.1Å; W415-G421 CarbonylContact O-C 3.53Å; W415-G421 WeakPolarHBondContact O-CA 3.29Å; A417-G421 PolarHBondContact O-N 2.69Å; G418-G421 PolarHBondContact O-N 3.13Å; G418-G421 VanDerWaalsContact O-N 3.11Å; G421-V423 PolarHBondContact O-N 2.98Å
422C95.8Very high94.1Very high60 Ų6033.2 Ų33.241%0.40520%0.2SC..  trans-58.4117.7-178.3-177.60000112W415 R425W415-C422 HydrophobicContact CB-CB 4.18Å; W415-C422 HydrophobicContact CE3-CB 4.01Å; W415-C422 PolarHBondContact O-N 3.45Å; C422-R425 HydrophobicContact CB-CB 4.46Å
423V95.1Very high94.1Very high31 Ų3133.7 Ų33.719%0.18820%0.2CC..THydrogen-bonded Turntrans-70.8-36177.9-179.20000111.4K115 M118 K119 F122 G421 R425K115-V423 HydrophobicContact CD-CG2 4.4Å; K115-V423 VanDerWaalsContact CE-CG2 3.44Å; K115-V423 HydrophobicContact CG-CG2 3.96Å; M118-V423 HydrophobicContact CB-CB 4.41Å; M118-V423 HydrophobicContact CB-CG1 3.87Å; M118-V423 HydrophobicContact CB-CG2 4.46Å; K119-V423 HydrophobicContact CB-CG1 4.47Å; K119-V423 HydrophobicContact CG-CG1 3.95Å; K119-V423 HydrophobicContact CG-CG2 4.48Å; F122-V423 HydrophobicContact CB-CG1 4.1Å; G421-V423 PolarHBondContact O-N 2.98Å; V423-R425 PolarHBondContact O-N 3.37Å
424G95.9Very high93.9Very high18 Ų1834.3 Ų34.319%0.18620%0.202CC..THydrogen-bonded Turntrans-80.39.3179.700000115.1Q426 F427 A428G424-Q426 PolarHBondContact O-N 2.9Å; G424-F427 WeakPolarHBondContact O-CB 3.21Å; G424-F427 PolarHBondContact O-N 3.07Å; G424-F427 VanDerWaalsContact O-N 3.12Å; G424-A428 PolarHBondContact O-N 3.28Å
425R96.3Very high93.8Very high103 Ų10333.4 Ų33.439%0.38920%0.197SC..Hα-helixtrans-48.9-52.8-173.4172.3176.8-179.7-171.13.9112.8W415 C422 V423 A428 I429W415-R425 VanDerWaalsContact CD1-NE 3.33Å; W415-R425 HydrophobicContact CD2-CB 4.13Å; W415-R425 HydrophobicContact CD2-CG 3.62Å; W415-R425 HydrophobicContact CE3-CB 4Å; W415-R425 HydrophobicContact CE3-CG 3.96Å; W415-R425 HydrophobicContact CG-CB 4.47Å; W415-R425 HydrophobicContact CG-CG 3.89Å; W415-R425 HydrophobicContact CZ2-CG 4.29Å; W415-R425 HydrophobicContact CZ3-CB 4.47Å; W415-R425 HydrophobicContact CZ3-CG 4.42Å; C422-R425 HydrophobicContact CB-CB 4.46Å; V423-R425 PolarHBondContact O-N 3.37Å; R425-A428 PolarHBondContact O-N 3.33Å; R425-I429 HydrophobicContact CG-CD1 3.77Å; R425-I429 VanDerWaalsContact O-CG1 3.28Å; R425-I429 WeakPolarHBondContact O-CG1 3.11Å; R425-I429 PolarHBondContact O-N 3.29Å
426Q95.8Very high93.8Very high93 Ų9331.5 Ų31.544%0.43519%0.189SC..Hα-helixtrans-67.7-38.9-176.3-65.4-60.4-34.400111.8L127 G424 I429 N430L127-Q426 HydrophobicContact CD1-CB 4.49Å; L127-Q426 HydrophobicContact CD2-CB 3.64Å; G424-Q426 PolarHBondContact O-N 2.9Å; Q426-I429 PolarHBondContact O-N 3.38Å; Q426-N430 WeakPolarHBondContact O-CB 3.27Å; Q426-N430 PolarHBondContact O-N 3.03Å; Q426-N430 PolarHBondContact O-ND2 3.35Å
427F96.5Very high93.8Very high18 Ų1830.9 Ų30.98%0.07918%0.179CC..Hα-helixtrans-61.9-44.6175.2-178.5-117.2000111.6F122 L127 L130 N131 M134 T173 G424 N430 T431F122-F427 HydrophobicContact CD1-CB 4.09Å; F122-F427 HydrophobicContact CD1-CD1 4.3Å; F122-F427 HydrophobicContact CD1-CG 4.3Å; F122-F427 AromaticContact CE1-CD1 3.94Å; F122-F427 HydrophobicContact CE1-CD1 3.94Å; F122-F427 HydrophobicContact CE1-CG 4.36Å; L127-F427 HydrophobicContact CD1-CB 3.64Å; L127-F427 HydrophobicContact CD1-CD2 4.18Å; L127-F427 HydrophobicContact CD1-CG 4.38Å; L130-F427 HydrophobicContact CB-CD2 3.94Å; L130-F427 HydrophobicContact CB-CE2 3.78Å; N131-F427 WeakPolarHBondContact OD1-CD2 3.34Å; M134-F427 HydrophobicContact CB-CE2 3.85Å; M134-F427 HydrophobicContact CB-CZ 3.97Å; M134-F427 HydrophobicContact CG-CE2 4.27Å; M134-F427 HydrophobicContact CG-CZ 4.11Å; T173-F427 HydrophobicContact CG2-CZ 4.01Å; G424-F427 WeakPolarHBondContact O-CB 3.21Å; G424-F427 PolarHBondContact O-N 3.07Å; G424-F427 VanDerWaalsContact O-N 3.12Å; F427-N430 PolarHBondContact O-N 2.77Å; F427-T431 VanDerWaalsContact O-CB 3.24Å; F427-T431 WeakPolarHBondContact O-CB 3.46Å; F427-T431 PolarHBondContact O-N 2.72Å; F427-T431 PolarHBondContact O-OG1 2.84Å
428A97.9Very high93.9Very high12 Ų1231 Ų3110%0.09918%0.179CC..Hα-helixtrans-62.4-46.7176.600000112.5V274 W415 G424 R425 N430 T431 I432V274-A428 HydrophobicContact CG2-CB 4.12Å; W415-A428 HydrophobicContact CH2-CB 3.91Å; W415-A428 HydrophobicContact CZ3-CB 3.93Å; G424-A428 PolarHBondContact O-N 3.28Å; R425-A428 PolarHBondContact O-N 3.33Å; A428-N430 PolarHBondContact O-N 2.97Å; A428-T431 WeakPolarHBondContact O-CB 3.43Å; A428-T431 PolarHBondContact O-N 3.1Å; A428-I432 WeakPolarHBondContact O-CG1 3.27Å; A428-I432 PolarHBondContact O-N 2.86Å
429I97.4Very high94.2Very high18 Ų1829 Ų299%0.09216%0.158CC..Hα-helixtrans-59-48.7177.5-68.5169.8000110.5L326 W415 R425 Q426 T431 I432 R433L326-I429 HydrophobicContact CD2-CB 4.36Å; L326-I429 HydrophobicContact CD2-CG1 4.1Å; L326-I429 HydrophobicContact CD2-CG2 3.95Å; W415-I429 HydrophobicContact CH2-CG1 4Å; W415-I429 HydrophobicContact CZ2-CD1 3.98Å; W415-I429 HydrophobicContact CZ2-CG1 3.61Å; R425-I429 HydrophobicContact CG-CD1 3.77Å; R425-I429 VanDerWaalsContact O-CG1 3.28Å; R425-I429 WeakPolarHBondContact O-CG1 3.11Å; R425-I429 PolarHBondContact O-N 3.29Å; Q426-I429 PolarHBondContact O-N 3.38Å; I429-T431 VanDerWaalsContact C-N 3.29Å; I429-T431 PolarHBondContact O-N 2.67Å; I429-I432 PolarHBondContact O-N 2.72Å; I429-R433 VanDerWaalsContact CG2-NH2 3.32Å; I429-R433 WeakPolarHBondContact O-CB 3.42Å; I429-R433 PolarHBondContact O-N 2.56Å
430N95.6Very high94.9Very high36 Ų3626 Ų2619%0.19314%0.139CC..Hα-helixtrans-63.9-38-179.7-65.3-26.2000111.9N131 Q426 F427 A428 R433 K434N131-N430 PolarHBondContact ND2-ND2 3.36Å; N131-N430 WeakPolarHBondContact OD1-CB 3.43Å; N131-N430 PolarHBondContact OD1-ND2 3.1Å; Q426-N430 WeakPolarHBondContact O-CB 3.27Å; Q426-N430 PolarHBondContact O-N 3.03Å; Q426-N430 PolarHBondContact O-ND2 3.35Å; F427-N430 PolarHBondContact O-N 2.77Å; A428-N430 PolarHBondContact O-N 2.97Å; N430-R433 PolarHBondContact O-N 2.98Å; N430-R433 PolarHBondContact OD1-NH1 2.78Å; N430-K434 VanDerWaalsContact O-CB 3.32Å; N430-K434 WeakPolarHBondContact O-CB 2.99Å; N430-K434 PolarHBondContact O-N 3.07Å
431T96.4Very high95.2Very high7 Ų725.1 Ų25.14%0.04314%0.136CC..Hα-helixtrans-62.3-51.2176.3-67.30000111.6M134 L166 V274 F427 A428 I429 R433 K434 F435M134-T431 HydrophobicContact CE-CG2 3.36Å; M134-T431 HydrophobicContact CG-CG2 4.22Å; L166-T431 HydrophobicContact CD2-CG2 3.55Å; V274-T431 HydrophobicContact CG1-CG2 3.63Å; F427-T431 VanDerWaalsContact O-CB 3.24Å; F427-T431 WeakPolarHBondContact O-CB 3.46Å; F427-T431 PolarHBondContact O-N 2.72Å; F427-T431 PolarHBondContact O-OG1 2.84Å; A428-T431 WeakPolarHBondContact O-CB 3.43Å; A428-T431 PolarHBondContact O-N 3.1Å; I429-T431 VanDerWaalsContact C-N 3.29Å; I429-T431 PolarHBondContact O-N 2.67Å; T431-R433 VanDerWaalsContact C-N 3.33Å; T431-R433 PolarHBondContact O-N 2.72Å; T431-K434 PolarHBondContact O-N 3.4Å; T431-F435 WeakPolarHBondContact O-CB 3.41Å; T431-F435 PolarHBondContact O-N 3.39Å
432I98.4Very high95.1Very high2 Ų226.5 Ų26.51%0.0114%0.143CC..Hα-helixtrans-62.8-44178.7-62.1164.9000109.6V274 A277 A278 L281 F322 L326 A428 I429 K434 F435 V436V274-I432 HydrophobicContact CG1-CD1 4.29Å; V274-I432 HydrophobicContact CG1-CG1 3.66Å; A277-I432 HydrophobicContact CB-CD1 3.75Å; A278-I432 HydrophobicContact CB-CG2 4.26Å; L281-I432 HydrophobicContact CD1-CG2 3.97Å; F322-I432 HydrophobicContact CZ-CG2 4.2Å; L326-I432 HydrophobicContact CD1-CD1 4.19Å; L326-I432 HydrophobicContact CD1-CG2 4.28Å; A428-I432 WeakPolarHBondContact O-CG1 3.27Å; A428-I432 PolarHBondContact O-N 2.86Å; I429-I432 PolarHBondContact O-N 2.72Å; I432-K434 PolarHBondContact O-N 2.89Å; I432-F435 PolarHBondContact O-N 3.28Å; I432-V436 HydrophobicContact CG2-CG2 4.17Å; I432-V436 VanDerWaalsContact O-CG2 3.27Å; I432-V436 WeakPolarHBondContact O-CG2 3.41Å; I432-V436 PolarHBondContact O-N 2.77Å
433R96.9Very high94.8Very high27 Ų2723.9 Ų23.910%0.10213%0.125CC..Hα-helixtrans-58.4-49.2177.5-167-173-65.8109.4-1.9111.7F299 M313 T319 F322 D323 I429 N430 T431 F435 V436 Y437F299-R433 HydrophobicContact CZ-CG 4.45Å; M313-R433 HydrophobicContact CE-CB 4.02Å; M313-R433 HydrophobicContact CE-CG 3.44Å; M313-R433 VanDerWaalsContact CE-CG 3.44Å; T319-R433 PolarHBondContact OG1-NE 2.98Å; F322-R433 HydrophobicContact CD1-CB 4.17Å; F322-R433 HydrophobicContact CD1-CG 3.73Å; F322-R433 HydrophobicContact CE1-CB 3.49Å; F322-R433 VanDerWaalsContact CE1-CB 3.49Å; F322-R433 HydrophobicContact CE1-CG 3.58Å; F322-R433 HydrophobicContact CG-CG 4.29Å; F322-R433 HydrophobicContact CZ-CB 3.78Å; F322-R433 HydrophobicContact CZ-CG 4.02Å; D323-R433 IonicContact OD1-CZ 3.46Å; D323-R433 IonicContact OD1-NE 2.78Å; D323-R433 IonicContact OD1-NH2 2.6Å; D323-R433 PolarHBondContact OD1-NH2 3.32Å; I429-R433 VanDerWaalsContact CG2-NH2 3.32Å; I429-R433 WeakPolarHBondContact O-CB 3.42Å; I429-R433 PolarHBondContact O-N 2.56Å; N430-R433 PolarHBondContact O-N 2.98Å; N430-R433 PolarHBondContact OD1-NH1 2.78Å; T431-R433 VanDerWaalsContact C-N 3.33Å; T431-R433 PolarHBondContact O-N 2.72Å; R433-F435 VanDerWaalsContact C-N 3.34Å; R433-F435 PolarHBondContact O-N 3.29Å; R433-V436 PolarHBondContact O-N 2.83Å; R433-Y437 WeakPolarHBondContact O-CB 3.49Å; R433-Y437 PolarHBondContact O-N 3.33Å
434K94.4Very high94.7Very high18 Ų1825.1 Ų25.18%0.07813%0.13CC..Hα-helixtrans-61.6-42.9178.918063.7179.9-178.70111.6L138 E139 M313 N430 T431 I432 Y437 V438L138-K434 HydrophobicContact CD2-CG 4.23Å; E139-K434 WeakPolarHBondContact OE1-CE 3.2Å; E139-K434 IonicContact OE1-NZ 3.49Å; E139-K434 PolarHBondContact OE1-NZ 3.43Å; M313-K434 HydrophobicContact SD-CB 4.05Å; M313-K434 HydrophobicContact SD-CD 3.54Å; M313-K434 VanDerWaalsContact SD-CD 3.54Å; M313-K434 HydrophobicContact SD-CG 4.39Å; N430-K434 VanDerWaalsContact O-CB 3.32Å; N430-K434 WeakPolarHBondContact O-CB 2.99Å; N430-K434 PolarHBondContact O-N 3.07Å; T431-K434 PolarHBondContact O-N 3.4Å; I432-K434 PolarHBondContact O-N 2.89Å; K434-Y437 PolarHBondContact O-N 2.96Å; K434-V438 HydrophobicContact CD-CG2 4.06Å; K434-V438 WeakPolarHBondContact O-CG2 3.14Å; K434-V438 PolarHBondContact O-N 3.43Å
435F96.4Very high94.6Very high0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-61.6-51.3177.9176.7-113.8000112.8L138 L165 L166 A278 L282 T431 I432 R433 Y437 V438 L439L138-F435 HydrophobicContact CD1-CD2 3.93Å; L138-F435 HydrophobicContact CD2-CB 3.83Å; L138-F435 HydrophobicContact CD2-CD2 4.15Å; L138-F435 HydrophobicContact CG-CD2 4.49Å; L165-F435 HydrophobicContact CB-CE2 4.12Å; L165-F435 HydrophobicContact CD1-CE2 3.95Å; L165-F435 HydrophobicContact CD1-CZ 4.49Å; L166-F435 HydrophobicContact CD1-CD1 3.71Å; L166-F435 HydrophobicContact CD1-CE1 3.98Å; L166-F435 HydrophobicContact CD1-CG 4.06Å; L166-F435 HydrophobicContact CD2-CB 3.83Å; L166-F435 HydrophobicContact CD2-CD1 4.43Å; L166-F435 HydrophobicContact CD2-CD2 4.26Å; L166-F435 HydrophobicContact CD2-CG 3.92Å; L166-F435 HydrophobicContact CG-CB 4.45Å; L166-F435 HydrophobicContact CG-CD1 4.15Å; L166-F435 HydrophobicContact CG-CD2 4.22Å; L166-F435 HydrophobicContact CG-CE1 4.43Å; L166-F435 HydrophobicContact CG-CE2 4.5Å; L166-F435 HydrophobicContact CG-CG 4.02Å; A278-F435 HydrophobicContact CB-CD1 3.79Å; A278-F435 HydrophobicContact CB-CE1 3.92Å; L282-F435 HydrophobicContact CD1-CD1 4.41Å; L282-F435 HydrophobicContact CD1-CE1 3.72Å; L282-F435 HydrophobicContact CD1-CZ 4.48Å; T431-F435 WeakPolarHBondContact O-CB 3.41Å; T431-F435 PolarHBondContact O-N 3.39Å; I432-F435 PolarHBondContact O-N 3.28Å; R433-F435 VanDerWaalsContact C-N 3.34Å; R433-F435 PolarHBondContact O-N 3.29Å; F435-Y437 VanDerWaalsContact C-N 3.32Å; F435-Y437 PolarHBondContact O-N 3.39Å; F435-V438 PolarHBondContact O-N 2.83Å; F435-L439 HydrophobicContact CD1-CD1 4.19Å; F435-L439 HydrophobicContact CD2-CD1 4.21Å; F435-L439 HydrophobicContact CD2-CG 4.44Å; F435-L439 HydrophobicContact CE1-CD1 3.59Å; F435-L439 HydrophobicContact CE2-CD1 3.62Å; F435-L439 HydrophobicContact CE2-CG 4.09Å; F435-L439 HydrophobicContact CG-CD1 4.49Å; F435-L439 HydrophobicContact CZ-CD1 3.28Å; F435-L439 HydrophobicContact CZ-CG 4.25Å; F435-L439 PolarHBondContact O-N 3.32Å
436V97.1Very high94.7Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-65.4-39.4179.2179.60000110.6L281 L282 L285 F299 F322 I432 R433 L440L281-V436 HydrophobicContact CD1-CG2 4.48Å; L281-V436 HydrophobicContact CD2-CB 4.48Å; L281-V436 HydrophobicContact CD2-CG1 3.92Å; L281-V436 HydrophobicContact CD2-CG2 3.77Å; L282-V436 HydrophobicContact CD2-CG1 3.99Å; L282-V436 HydrophobicContact CD2-CG2 4.25Å; L282-V436 HydrophobicContact CG-CG2 4.27Å; L285-V436 HydrophobicContact CD1-CG1 4.33Å; F299-V436 HydrophobicContact CE2-CG1 4.09Å; F322-V436 HydrophobicContact CE2-CB 3.9Å; F322-V436 HydrophobicContact CE2-CG1 3.99Å; F322-V436 HydrophobicContact CE2-CG2 4.16Å; I432-V436 HydrophobicContact CG2-CG2 4.17Å; I432-V436 VanDerWaalsContact O-CG2 3.27Å; I432-V436 WeakPolarHBondContact O-CG2 3.41Å; I432-V436 PolarHBondContact O-N 2.77Å; R433-V436 PolarHBondContact O-N 2.83Å; V436-L440 HydrophobicContact CG1-CD1 3.68Å; V436-L440 HydrophobicContact CG1-CG 4.09Å; V436-L440 WeakPolarHBondContact O-CB 3.25Å; V436-L440 VanDerWaalsContact O-CG 3.28Å; V436-L440 WeakPolarHBondContact O-CG 3.42Å; V436-L440 PolarHBondContact O-N 3.08Å
437Y94.4Very high94.8Very high10 Ų1020.2 Ų20.24%0.03911%0.108CC..Hα-helixtrans-55.5-58.8174.3177.7-92.8000111F299 I302 S303 L312 M313 R433 K434 F435 L439 L440 T441F299-Y437 HydrophobicContact CB-CD2 3.84Å; F299-Y437 HydrophobicContact CB-CE2 3.93Å; F299-Y437 AromaticContact CD1-CD2 3.93Å; F299-Y437 HydrophobicContact CD1-CD2 3.93Å; F299-Y437 AromaticContact CD2-CD2 3.81Å; F299-Y437 HydrophobicContact CD2-CD2 3.81Å; F299-Y437 HydrophobicContact CD2-CG 4.46Å; F299-Y437 HydrophobicContact CE1-CD2 4.37Å; F299-Y437 VanDerWaalsContact CE2-CA 3.45Å; F299-Y437 HydrophobicContact CE2-CD2 4.26Å; F299-Y437 AromaticContact CG-CD2 3.61Å; F299-Y437 HydrophobicContact CG-CD2 3.61Å; F299-Y437 HydrophobicContact CG-CE2 4.2Å; I302-Y437 HydrophobicContact CG2-CE2 4.36Å; S303-Y437 PolarHBondContact OG-OH 2.9Å; L312-Y437 HydrophobicContact CD2-CE1 4.12Å; L312-Y437 WeakPolarHBondContact CD2-OH 3.15Å; M313-Y437 HydrophobicContact SD-CG 4.42Å; R433-Y437 WeakPolarHBondContact O-CB 3.49Å; R433-Y437 PolarHBondContact O-N 3.33Å; K434-Y437 PolarHBondContact O-N 2.96Å; F435-Y437 VanDerWaalsContact C-N 3.32Å; F435-Y437 PolarHBondContact O-N 3.39Å; Y437-L439 VanDerWaalsContact C-N 3.34Å; Y437-L439 PolarHBondContact O-N 3.43Å; Y437-L440 PolarHBondContact O-N 3.37Å; Y437-T441 HydrophobicContact CD2-CG2 4.09Å; Y437-T441 HydrophobicContact CE1-CG2 4.28Å; Y437-T441 HydrophobicContact CE2-CG2 3.79Å; Y437-T441 HydrophobicContact CG-CG2 4.46Å; Y437-T441 WeakPolarHBondContact O-CB 3.46Å; Y437-T441 WeakPolarHBondContact O-CG2 3.44Å; Y437-T441 PolarHBondContact O-N 2.81Å; Y437-T441 PolarHBondContact O-OG1 3.01Å
438V91.4Very high94.8Very high13 Ų1321.5 Ų21.58%0.07912%0.118CC..Hα-helixtrans-60-44.6-177.1177.10000111.2L142 K434 F435 L440 T441 S442L142-V438 HydrophobicContact CD1-CB 4.11Å; L142-V438 HydrophobicContact CD1-CG1 3.54Å; K434-V438 HydrophobicContact CD-CG2 4.06Å; K434-V438 WeakPolarHBondContact O-CG2 3.14Å; K434-V438 PolarHBondContact O-N 3.43Å; F435-V438 PolarHBondContact O-N 2.83Å; V438-L440 PolarHBondContact O-N 3.31Å; V438-T441 PolarHBondContact O-N 2.94Å; V438-S442 WeakPolarHBondContact O-CB 3.39Å; V438-S442 PolarHBondContact O-N 2.91Å; V438-S442 PolarHBondContact O-OG 3.47Å
439L92.7Very high94.7Very high2 Ų225 Ų251%0.0114%0.136CC..Hα-helixtrans-59.4-47.7177.3-79.8-179.6000112.3L142 M146 L282 F435 Y437 Y443L142-L439 HydrophobicContact CD2-CD2 4.05Å; M146-L439 HydrophobicContact CE-CD2 4.14Å; M146-L439 HydrophobicContact SD-CD2 4.43Å; L282-L439 HydrophobicContact CD1-CD1 3.74Å; F435-L439 HydrophobicContact CD1-CD1 4.19Å; F435-L439 HydrophobicContact CD2-CD1 4.21Å; F435-L439 HydrophobicContact CD2-CG 4.44Å; F435-L439 HydrophobicContact CE1-CD1 3.59Å; F435-L439 HydrophobicContact CE2-CD1 3.62Å; F435-L439 HydrophobicContact CE2-CG 4.09Å; F435-L439 HydrophobicContact CG-CD1 4.49Å; F435-L439 HydrophobicContact CZ-CD1 3.28Å; F435-L439 HydrophobicContact CZ-CG 4.25Å; F435-L439 PolarHBondContact O-N 3.32Å; Y437-L439 VanDerWaalsContact C-N 3.34Å; Y437-L439 PolarHBondContact O-N 3.43Å; L439-Y443 HydrophobicContact CD2-CD2 4.18Å; L439-Y443 WeakPolarHBondContact O-CB 3.43Å; L439-Y443 PolarHBondContact O-N 3.19Å; L439-Y443 VanDerWaalsContact O-N 3.14Å
440L93.7Very high94.6Very high6 Ų629 Ų293%0.03117%0.165CC..Hα-helixtrans-77.7-19.9-175.4-65.3-174.4000114L282 L285 L292 V295 F299 V436 Y437 V438 R480L282-L440 HydrophobicContact CD2-CD2 4.45Å; L285-L440 HydrophobicContact CD1-CD1 4.1Å; L292-L440 HydrophobicContact CD1-CD1 4.03Å; L292-L440 HydrophobicContact CD1-CD2 3.89Å; V295-L440 HydrophobicContact CG1-CD1 4Å; F299-L440 HydrophobicContact CE2-CD1 4.45Å; V436-L440 HydrophobicContact CG1-CD1 3.68Å; V436-L440 HydrophobicContact CG1-CG 4.09Å; V436-L440 WeakPolarHBondContact O-CB 3.25Å; V436-L440 VanDerWaalsContact O-CG 3.28Å; V436-L440 WeakPolarHBondContact O-CG 3.42Å; V436-L440 PolarHBondContact O-N 3.08Å; Y437-L440 PolarHBondContact O-N 3.37Å; V438-L440 PolarHBondContact O-N 3.31Å; L440-R480 PolarHBondContact O-NH1 3.28Å; L440-R480 PolarHBondContact O-NH2 3.47Å
441T90.3Very high94.6Very high36 Ų3633 Ų3322%0.22119%0.186CC..Hα-helixtrans-95.4-33.3177.859.10000113.3F299 Y437 V438F299-T441 HydrophobicContact CB-CG2 4.28Å; Y437-T441 HydrophobicContact CD2-CG2 4.09Å; Y437-T441 HydrophobicContact CE1-CG2 4.28Å; Y437-T441 HydrophobicContact CE2-CG2 3.79Å; Y437-T441 HydrophobicContact CG-CG2 4.46Å; Y437-T441 WeakPolarHBondContact O-CB 3.46Å; Y437-T441 WeakPolarHBondContact O-CG2 3.44Å; Y437-T441 PolarHBondContact O-N 2.81Å; Y437-T441 PolarHBondContact O-OG1 3.01Å; V438-T441 PolarHBondContact O-N 2.94Å
442S88.4Confident94.6Very high46 Ų4633.7 Ų33.732%0.32219%0.193SC..Hα-helixtrans-103.1-14.2-172.3-56.60000113.9V438 R480V438-S442 WeakPolarHBondContact O-CB 3.39Å; V438-S442 PolarHBondContact O-N 2.91Å; V438-S442 PolarHBondContact O-OG 3.47Å; S442-R480 PolarHBondContact O-N 2.92Å
443Y90.3Very high94.4Very high5 Ų540.9 Ų40.92%0.0223%0.226CC..EExtended strand (participates in β ladder)trans-129.9149.1-178.7-58.9-94000111.4L142 M146 L439 T478 P479 R480L142-Y443 PolarHBondContact O-OH 3.23Å; M146-Y443 HydrophobicContact CB-CE1 3.57Å; M146-Y443 HydrophobicContact CE-CD1 3.33Å; M146-Y443 HydrophobicContact CE-CD2 4.15Å; M146-Y443 HydrophobicContact CE-CE1 3.39Å; M146-Y443 HydrophobicContact CE-CE2 4.2Å; M146-Y443 HydrophobicContact CE-CG 3.74Å; M146-Y443 HydrophobicContact CG-CE1 4.5Å; M146-Y443 PolarHBondContact O-OH 2.84Å; M146-Y443 HydrophobicContact SD-CE1 4.34Å; L439-Y443 HydrophobicContact CD2-CD2 4.18Å; L439-Y443 WeakPolarHBondContact O-CB 3.43Å; L439-Y443 PolarHBondContact O-N 3.19Å; L439-Y443 VanDerWaalsContact O-N 3.14Å; Y443-T478 CarbonylContact C-O 3.5Å; Y443-T478 WeakPolarHBondContact CA-O 3.4Å; Y443-P479 HydrophobicContact CD1-CB 4.41Å; Y443-P479 HydrophobicContact CD1-CG 4.28Å; Y443-P479 HydrophobicContact CE1-CB 4.38Å; Y443-P479 HydrophobicContact CE1-CG 4.03Å; Y443-R480 PolarHBondContact O-NE 3.41Å; Y443-R480 PolarHBondContact O-NH2 3.39Å
444D92.6Very high94.4Very high58 Ų5841.6 Ų41.631%0.3123%0.232SC..EExtended strand (participates in β ladder)trans-85.4125158.3-69.5-37000107.4W153 Y477 T478 R480W153-D444 HydrophobicContact CH2-CB 3.78Å; W153-D444 HydrophobicContact CZ2-CB 4.45Å; W153-D444 HydrophobicContact CZ3-CB 4.4Å; D444-Y477 CarbonylContact O-C 3.54Å; D444-Y477 WeakPolarHBondContact O-CA 3.46Å; D444-Y477 WeakPolarHBondContact O-CB 3.34Å; D444-T478 HydrophobicContact CB-CG2 4.11Å; D444-T478 PolarHBondContact N-O 2.95Å; D444-T478 PolarHBondContact O-N 3.23Å; D444-R480 WeakPolarHBondContact OD1-CG 3.43Å; D444-R480 IonicContact OD1-CZ 3.51Å; D444-R480 IonicContact OD1-NE 3.94Å; D444-R480 PolarHBondContact OD1-NE 3.46Å; D444-R480 IonicContact OD1-NH2 2.79Å
445L94.8Very high94.6Very high11 Ų1142 Ų426%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-131.7121.7-174.5176.367.7000107.6L282 L286 V475 Y477L282-L445 HydrophobicContact CD2-CD2 4.38Å; L286-L445 HydrophobicContact CD1-CD2 4.13Å; L286-L445 HydrophobicContact CD1-CG 4.22Å; L286-L445 HydrophobicContact CD2-CD2 4.43Å; L286-L445 HydrophobicContact CD2-CG 4.24Å; L445-V475 HydrophobicContact CD1-CB 3.87Å; L445-V475 HydrophobicContact CD1-CG1 4.36Å; L445-V475 HydrophobicContact CD1-CG2 3.97Å; L445-Y477 HydrophobicContact CD1-CD1 4.41Å
446E96.3Very high94.6Very high79 Ų7948.7 Ų48.737%0.36927%0.268SS..EExtended strand (participates in β ladder)trans-135.3153.3-175.2-63-179.2172.100110.4W153 V475 R476W153-E446 HydrophobicContact CH2-CG 3.91Å; W153-E446 HydrophobicContact CZ3-CB 4.41Å; W153-E446 HydrophobicContact CZ3-CG 4.19Å; E446-V475 CarbonylContact O-C 3.34Å; E446-V475 WeakPolarHBondContact O-CA 3.39Å; E446-V475 WeakPolarHBondContact O-CB 3.38Å; E446-R476 HydrophobicContact CB-CG 4.08Å; E446-R476 PolarHBondContact N-O 2.98Å; E446-R476 PolarHBondContact O-N 3.02Å; E446-R476 IonicContact OE2-CZ 3.3Å; E446-R476 VanDerWaalsContact OE2-CZ 3.3Å; E446-R476 IonicContact OE2-NE 3.03Å; E446-R476 PolarHBondContact OE2-NE 3.35Å; E446-R476 IonicContact OE2-NH2 2.72Å; E446-R476 PolarHBondContact OE2-NH2 3.46Å
447L98Very high94.6Very high20 Ų2051.1 Ų51.111%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-67.7140.4164.9-59.5173.1000108.9L286 T287 D449 L473 V475L286-L447 HydrophobicContact CB-CD1 4.44Å; L286-L447 HydrophobicContact CB-CD2 3.89Å; L286-L447 HydrophobicContact CB-CG 4.06Å; L286-L447 HydrophobicContact CD1-CD2 4.11Å; T287-L447 HydrophobicContact CG2-CD1 4.13Å; L447-D449 VanDerWaalsContact C-N 3.26Å; L447-D449 VanDerWaalsContact CB-O 3.22Å; L447-D449 WeakPolarHBondContact CB-O 3.2Å; L447-D449 PolarHBondContact O-N 3.03Å; L447-L473 HydrophobicContact CD2-CD1 4.06Å; L447-L473 HydrophobicContact CD2-CD2 3.63Å; L447-L473 HydrophobicContact CD2-CG 3.77Å; L447-V475 HydrophobicContact CD2-CG1 4.14Å
448C97.2Very high94.7Very high45 Ų4552.8 Ų52.830%0.30429%0.288SS..SBendtrans-64.6-36.3171.3-67.10000111.2L474C448-L474 HydrophobicContact CB-CB 4.13Å; C448-L474 PolarHBondContact N-O 2.96Å
449D96.8Very high94.9Very high86 Ų8653.2 Ų53.246%0.4629%0.293SS..SBendtrans-114.7116.4168.2173.411.2000109.5L447 N451 A452L447-D449 VanDerWaalsContact C-N 3.26Å; L447-D449 VanDerWaalsContact CB-O 3.22Å; L447-D449 WeakPolarHBondContact CB-O 3.2Å; L447-D449 PolarHBondContact O-N 3.03Å; D449-N451 PolarHBondContact O-N 3.29Å; D449-N451 VanDerWaalsContact O-N 3.13Å; D449-N451 PolarHBondContact OD1-N 3.46Å; D449-A452 HydrophobicContact CB-CB 4.19Å; D449-A452 WeakPolarHBondContact O-CB 3.49Å; D449-A452 PolarHBondContact O-N 3.44Å
450S94.3Very high94.9Very high102 Ų10254.7 Ų54.771%0.71330%0.303SS*.THydrogen-bonded Turntrans-60.1-20.1178.756.70000114.5
451N95.2Very high95Very high120 Ų12055 Ų5564%0.64230%0.304SS*.THydrogen-bonded Turntrans-96.6-0.9177.7-61.1-58.1000113D449 Q453D449-N451 PolarHBondContact O-N 3.29Å; D449-N451 VanDerWaalsContact O-N 3.13Å; D449-N451 PolarHBondContact OD1-N 3.46Å; N451-Q453 PolarHBondContact O-N 3.4Å; N451-Q453 PolarHBondContact O-NE2 2.97Å
452A96.1Very high95.4Very high22 Ų2254.8 Ų54.818%0.18230%0.299CS..PPolyproline II helixtrans-56.3134.6-179.100000110.8D449 L473D449-A452 HydrophobicContact CB-CB 4.19Å; D449-A452 WeakPolarHBondContact O-CB 3.49Å; D449-A452 PolarHBondContact O-N 3.44Å; A452-L473 HydrophobicContact CB-CD1 3.8Å
453Q95.5Very high95.7Very high152 Ų15253.3 Ų53.371%0.7129%0.292SS*.PPolyproline II helixtrans-97.3156.4174.9-61-59.6-48.800109.9N451N451-Q453 PolarHBondContact O-N 3.4Å; N451-Q453 PolarHBondContact O-NE2 2.97Å
454L97.4Very high95.9Very high42 Ų4254.9 Ų54.922%0.2230%0.299CS..PPolyproline II helixtrans-59.2135.1171.4-78.7167.6000110.3W280 Y284 T287 L473W280-L454 HydrophobicContact CE3-CD2 4.16Å; W280-L454 HydrophobicContact CZ3-CB 4.28Å; W280-L454 HydrophobicContact CZ3-CD2 4.19Å; Y284-L454 HydrophobicContact CD1-CD1 3.23Å; Y284-L454 HydrophobicContact CE1-CD1 3.22Å; Y284-L454 HydrophobicContact CG-CD1 3.95Å; T287-L454 HydrophobicContact CG2-CG 4.46Å; L454-L473 HydrophobicContact CD2-CD2 4.15Å
455P97.5Very high96.1Very high27 Ų2752.7 Ų52.718%0.17529%0.289CS..PPolyproline II helixtrans-63.6157.7176.126.5-35.4000111.6F279 W280 P469F279-P455 HydrophobicContact CZ-CG 3.79Å; W280-P455 WeakPolarHBondContact CH2-O 3.27Å; P455-P469 HydrophobicContact CB-CB 4.04Å; P455-P469 HydrophobicContact CG-CB 3.45Å; P455-P469 VanDerWaalsContact CG-CB 3.45Å
456E97.2Very high96.3Very high141 Ų14152.8 Ų52.866%0.65929%0.29SS*.PPolyproline II helixtrans-62.8151.9174.3-67.2-166.817400111.9P469 Q470E456-P469 CarbonylContact O-C 3.58Å; E456-P469 WeakPolarHBondContact O-CA 3.26Å; E456-Q470 HydrophobicContact CB-CG 4.4Å; E456-Q470 PolarHBondContact O-N 3.34Å; E456-Q470 PolarHBondContact OE2-NE2 2.94Å
457K97.6Very high96.4Very high51 Ų5149 Ų4922%0.22227%0.272CS..BIsolated β-bridgetrans-76.1139.9174.4-62158.6-170.6-179.40109.5W280 L332 A459 L467 Q470W280-K457 HydrophobicContact CH2-CG 3.82Å; W280-K457 HydrophobicContact CZ2-CG 3.78Å; L332-K457 PolarHBondContact O-NZ 2.89Å; K457-A459 PolarHBondContact O-N 2.66Å; K457-A459 VanDerWaalsContact O-N 3.09Å; K457-L467 HydrophobicContact CB-CB 4.39Å; K457-L467 HydrophobicContact CB-CD1 4.17Å; K457-L467 HydrophobicContact CD-CD1 3.71Å; K457-L467 HydrophobicContact CG-CB 4.42Å; K457-L467 HydrophobicContact CG-CD1 4.15Å; K457-Q470 PolarHBondContact O-NE2 3.37Å
458D96.3Very high96.4Very high45 Ų4548.7 Ų48.724%0.24127%0.27CS..  trans-70.3102168.2176.54.7000109.4S460 R461 Q468 Q470D458-S460 VanDerWaalsContact CG-OG 3.28Å; D458-S460 PolarHBondContact O-N 2.99Å; D458-S460 VanDerWaalsContact O-N 3.16Å; D458-S460 WeakPolarHBondContact OD1-CB 3.29Å; D458-S460 PolarHBondContact OD1-N 3.14Å; D458-S460 PolarHBondContact OD1-OG 2.88Å; D458-S460 PolarHBondContact OD2-OG 3.47Å; D458-S460 VanDerWaalsContact OD2-OG 3.1Å; D458-R461 HydrophobicContact CB-CG 4.1Å; D458-R461 WeakPolarHBondContact O-CB 3.35Å; D458-R461 PolarHBondContact O-N 2.7Å; D458-R461 VanDerWaalsContact O-N 3.14Å; D458-R461 WeakPolarHBondContact OD2-CG 3.41Å; D458-Q468 WeakPolarHBondContact CB-O 3.38Å; D458-Q468 PolarHBondContact N-O 3.23Å; D458-Q470 HydrophobicContact CB-CG 4.29Å
459A95.3Very high96.4Very high21 Ų2147.1 Ų47.117%0.17426%0.26CS..G310 helixtrans-63.2-19.8-179.200000113.2K43 D44 K457 R461 Y462K43-A459 WeakPolarHBondContact O-CB 3.42Å; D44-A459 HydrophobicContact CB-CB 4.02Å; K457-A459 PolarHBondContact O-N 2.66Å; K457-A459 VanDerWaalsContact O-N 3.09Å; A459-R461 PolarHBondContact O-N 3.22Å; A459-Y462 HydrophobicContact CB-CD2 4.11Å; A459-Y462 HydrophobicContact CB-CE2 3.88Å; A459-Y462 WeakPolarHBondContact O-CD2 3.44Å; A459-Y462 PolarHBondContact O-N 2.97Å
460S92.5Very high96.4Very high33 Ų3348.8 Ų48.823%0.23127%0.265CS..G310 helixtrans-70-14178.186.20000113.2R205 D458R205-S460 PolarHBondContact NH1-O 3.2Å; D458-S460 VanDerWaalsContact CG-OG 3.28Å; D458-S460 PolarHBondContact O-N 2.99Å; D458-S460 VanDerWaalsContact O-N 3.16Å; D458-S460 WeakPolarHBondContact OD1-CB 3.29Å; D458-S460 PolarHBondContact OD1-N 3.14Å; D458-S460 PolarHBondContact OD1-OG 2.88Å; D458-S460 PolarHBondContact OD2-OG 3.47Å; D458-S460 VanDerWaalsContact OD2-OG 3.1Å
461R95.6Very high96.4Very high13 Ų1345.8 Ų45.85%0.04925%0.249CC..G310 helixtrans-88.6-8.5179.8-68.7-83.8-178162.78.7114.4E197 D458 A459 G463 F464 L467 Q468E197-R461 PolarHBondContact O-NH2 3.3Å; E197-R461 VanDerWaalsContact O-NH2 3.12Å; E197-R461 IonicContact OE1-CZ 2.68Å; E197-R461 IonicContact OE1-NH1 2.69Å; E197-R461 PolarHBondContact OE1-NH1 2.82Å; E197-R461 IonicContact OE1-NH2 3.33Å; E197-R461 PolarHBondContact OE1-NH2 3.18Å; E197-R461 IonicContact OE2-NH2 3.67Å; D458-R461 HydrophobicContact CB-CG 4.1Å; D458-R461 WeakPolarHBondContact O-CB 3.35Å; D458-R461 PolarHBondContact O-N 2.7Å; D458-R461 VanDerWaalsContact O-N 3.14Å; D458-R461 WeakPolarHBondContact OD2-CG 3.41Å; A459-R461 PolarHBondContact O-N 3.22Å; R461-G463 PolarHBondContact O-N 3.41Å; R461-F464 PolarHBondContact O-N 2.61Å; R461-F464 VanDerWaalsContact O-N 3.11Å; R461-L467 HydrophobicContact CB-CD2 3.9Å; R461-Q468 VanDerWaalsContact NH2-OE1 3.13Å
462Y97.8Very high96.5Very high31 Ų3142.9 Ų42.912%0.12223%0.234CC..THydrogen-bonded Turntrans-54.6127.4175.4-75.1-57.4000110.7D44 A46 A335 F367 F369 A459 L467D44-Y462 VanDerWaalsContact OD1-CE2 3.3Å; D44-Y462 WeakPolarHBondContact OD1-CE2 3.25Å; A46-Y462 HydrophobicContact CB-CD1 4.08Å; A46-Y462 HydrophobicContact CB-CD2 3.98Å; A46-Y462 HydrophobicContact CB-CE1 3.66Å; A46-Y462 HydrophobicContact CB-CE2 3.57Å; A46-Y462 HydrophobicContact CB-CG 4.25Å; A46-Y462 VanDerWaalsContact CB-CZ 3.41Å; A335-Y462 HydrophobicContact CB-CD1 3.62Å; A335-Y462 HydrophobicContact CB-CE1 4.05Å; F367-Y462 AromaticContact CZ-CD1 3.79Å; F367-Y462 HydrophobicContact CZ-CD1 3.79Å; F367-Y462 HydrophobicContact CZ-CG 4.26Å; F369-Y462 HydrophobicContact CD1-CD1 4.4Å; F369-Y462 AromaticContact CD1-CE1 3.83Å; F369-Y462 HydrophobicContact CD1-CE1 3.83Å; F369-Y462 HydrophobicContact CE1-CD1 4.44Å; F369-Y462 AromaticContact CE1-CE1 3.47Å; F369-Y462 HydrophobicContact CE1-CE1 3.47Å; F369-Y462 VanDerWaalsContact CE1-CE1 3.47Å; F369-Y462 AromaticContact CZ-CE1 3.88Å; F369-Y462 HydrophobicContact CZ-CE1 3.88Å; A459-Y462 HydrophobicContact CB-CD2 4.11Å; A459-Y462 HydrophobicContact CB-CE2 3.88Å; A459-Y462 WeakPolarHBondContact O-CD2 3.44Å; A459-Y462 PolarHBondContact O-N 2.97Å; Y462-L467 HydrophobicContact CD1-CD1 4.14Å; Y462-L467 HydrophobicContact CD1-CD2 3.7Å; Y462-L467 HydrophobicContact CD1-CG 4.48Å; Y462-L467 HydrophobicContact CE1-CD1 3.53Å; Y462-L467 HydrophobicContact CE1-CD2 3.91Å; Y462-L467 HydrophobicContact CE1-CG 4.33Å; Y462-L467 HydrophobicContact CG-CD2 4.23Å
463G95.7Very high96.6Very high16 Ų1642 Ų4217%0.16523%0.226CC..BIsolated β-bridgetrans104.3-18.6-177.500000115.4A335 F337 R461A335-G463 VanDerWaalsContact O-CA 3.23Å; A335-G463 WeakPolarHBondContact O-CA 3.34Å; A335-G463 PolarHBondContact O-N 3.09Å; F337-G463 VanDerWaalsContact CE2-CA 3.49Å; F337-G463 PolarHBondContact N-O 2.89Å; R461-G463 PolarHBondContact O-N 3.41Å
464F95.3Very high96.8Very high38 Ų3839.6 Ų39.617%0.16722%0.218CC..SBendtrans-98.6-4.1-170.1-68.3-84.1000115.3I101 L200 C201 A204 R461I101-F464 HydrophobicContact CD1-CE1 4.38Å; L200-F464 HydrophobicContact CD2-CD1 3.71Å; L200-F464 HydrophobicContact CD2-CE1 3.91Å; L200-F464 HydrophobicContact CD2-CG 4.38Å; C201-F464 HydrophobicContact CB-CE2 4.08Å; C201-F464 HydrophobicContact CB-CZ 4.4Å; A204-F464 HydrophobicContact CB-CE1 3.56Å; A204-F464 HydrophobicContact CB-CZ 3.48Å; A204-F464 VanDerWaalsContact CB-CZ 3.48Å; R461-F464 PolarHBondContact O-N 2.61Å; R461-F464 VanDerWaalsContact O-N 3.11Å
465G96.4Very high96.8Very high11 Ų1137.6 Ų37.611%0.11321%0.207CC..SBendtrans123.8-125.5-177.100000111.2A335A335-G465 CarbonylContact C-O 3.52Å; A335-G465 PolarHBondContact N-O 3.01Å
466M98.2Very high96.7Very high14 Ų1440.6 Ų40.67%0.06922%0.215CC..BIsolated β-bridgetrans-71.5131177.3-65.9-58.9-56.200111.4N273 P276 A277 L330 T333 A334N273-M466 HydrophobicContact CB-CB 4.36Å; N273-M466 HydrophobicContact CB-CG 3.71Å; N273-M466 WeakPolarHBondContact O-CG 3.4Å; N273-M466 PolarHBondContact OD1-N 3.41Å; P276-M466 HydrophobicContact CB-CB 3.9Å; A277-M466 HydrophobicContact CB-CE 3.74Å; A277-M466 HydrophobicContact CB-CG 4.31Å; A277-M466 HydrophobicContact CB-SD 4.24Å; L330-M466 HydrophobicContact CD2-CE 4.03Å; L330-M466 HydrophobicContact CD2-SD 3.64Å; T333-M466 WeakPolarHBondContact OG1-CE 3.4Å; A334-M466 HydrophobicContact CB-SD 3.61Å
467L98.3Very high96.5Very high0 Ų034.2 Ų34.20%019%0.185CC..  trans-68.1147.3171.5-62.5173.2000109.9W280 T333 A335 F369 K457 R461 Y462W280-L467 PolarHBondContact NE1-O 2.9Å; T333-L467 WeakPolarHBondContact O-CB 3.39Å; T333-L467 WeakPolarHBondContact O-CG 3.19Å; T333-L467 PolarHBondContact O-N 2.97Å; A335-L467 HydrophobicContact CB-CD1 4.22Å; A335-L467 HydrophobicContact CB-CD2 4.2Å; A335-L467 HydrophobicContact CB-CG 4.14Å; F369-L467 HydrophobicContact CE2-CD1 4.4Å; F369-L467 HydrophobicContact CZ-CD1 4.41Å; K457-L467 HydrophobicContact CB-CB 4.39Å; K457-L467 HydrophobicContact CB-CD1 4.17Å; K457-L467 HydrophobicContact CD-CD1 3.71Å; K457-L467 HydrophobicContact CG-CB 4.42Å; K457-L467 HydrophobicContact CG-CD1 4.15Å; R461-L467 HydrophobicContact CB-CD2 3.9Å; Y462-L467 HydrophobicContact CD1-CD1 4.14Å; Y462-L467 HydrophobicContact CD1-CD2 3.7Å; Y462-L467 HydrophobicContact CD1-CG 4.48Å; Y462-L467 HydrophobicContact CE1-CD1 3.53Å; Y462-L467 HydrophobicContact CE1-CD2 3.91Å; Y462-L467 HydrophobicContact CE1-CG 4.33Å; Y462-L467 HydrophobicContact CG-CD2 4.23Å
468Q98.2Very high96.2Very high12 Ų1232.4 Ų32.46%0.05618%0.178CC..  trans-108.1153.9174.1-63.7-172.314.100109.1F159 E197 P276 D458 R461F159-Q468 HydrophobicContact CE2-CB 4.47Å; F159-Q468 HydrophobicContact CE2-CG 4.3Å; F159-Q468 HydrophobicContact CZ-CB 4.03Å; F159-Q468 HydrophobicContact CZ-CG 3.9Å; E197-Q468 VanDerWaalsContact CD-NE2 3.35Å; E197-Q468 PolarHBondContact OE1-NE2 2.95Å; E197-Q468 PolarHBondContact OE2-NE2 3Å; E197-Q468 PolarHBondContact OE2-OE1 2.96Å; P276-Q468 HydrophobicContact CB-CG 4.39Å; P276-Q468 HydrophobicContact CG-CG 4.17Å; D458-Q468 WeakPolarHBondContact CB-O 3.38Å; D458-Q468 PolarHBondContact N-O 3.23Å; R461-Q468 VanDerWaalsContact NH2-OE1 3.13Å
469P97.9Very high95.9Very high13 Ų1331.1 Ų31.18%0.08417%0.173CC..BIsolated β-bridgetrans-74.8152.2174.335.2-38.9000111.4F159 F279 W280 P455 E456 G471F159-P469 HydrophobicContact CB-CG 4.03Å; F159-P469 HydrophobicContact CD1-CG 3.99Å; F159-P469 HydrophobicContact CD2-CG 3.87Å; F159-P469 HydrophobicContact CE1-CG 4.4Å; F159-P469 HydrophobicContact CE2-CG 4.29Å; F159-P469 HydrophobicContact CG-CG 3.7Å; F279-P469 HydrophobicContact CD1-CG 4.07Å; F279-P469 HydrophobicContact CE1-CB 3.65Å; F279-P469 HydrophobicContact CE1-CG 3.46Å; F279-P469 VanDerWaalsContact CE1-CG 3.46Å; F279-P469 HydrophobicContact CE2-CG 4.47Å; F279-P469 HydrophobicContact CZ-CB 3.8Å; F279-P469 HydrophobicContact CZ-CG 3.69Å; W280-P469 HydrophobicContact CH2-CB 4.08Å; W280-P469 HydrophobicContact CZ2-CB 4.09Å; P455-P469 HydrophobicContact CB-CB 4.04Å; P455-P469 HydrophobicContact CG-CB 3.45Å; P455-P469 VanDerWaalsContact CG-CB 3.45Å; E456-P469 CarbonylContact O-C 3.58Å; E456-P469 WeakPolarHBondContact O-CA 3.26Å; P469-G471 VanDerWaalsContact C-N 3.27Å; P469-G471 WeakPolarHBondContact CB-O 3.28Å; P469-G471 WeakPolarHBondContact CG-O 2.8Å
470Q95.4Very high95.4Very high121 Ų12133.8 Ų33.857%0.56518%0.178SC*.SBendtrans-74-20.2172.6-67-178.719.600112.9E456 K457 D458E456-Q470 HydrophobicContact CB-CG 4.4Å; E456-Q470 PolarHBondContact O-N 3.34Å; E456-Q470 PolarHBondContact OE2-NE2 2.94Å; K457-Q470 PolarHBondContact O-NE2 3.37Å; D458-Q470 HydrophobicContact CB-CG 4.29Å
471G95.4Very high94.3Very high38 Ų3839.2 Ų39.239%0.39220%0.2SC..SBendtrans-137.8-163.6175.100000110.4P469P469-G471 VanDerWaalsContact C-N 3.27Å; P469-G471 WeakPolarHBondContact CB-O 3.28Å; P469-G471 WeakPolarHBondContact CG-O 2.8Å
472D97.8Very high92.5Very high59 Ų5945.3 Ų45.332%0.31624%0.239SC..  trans-117.7159.7175.8-147-32.9000110.8G157 L158 F159 Q160G157-D472 VanDerWaalsContact C-OD1 3.24Å; G157-D472 WeakPolarHBondContact CA-OD1 3.2Å; G157-D472 VanDerWaalsContact CA-OD2 3.29Å; G157-D472 WeakPolarHBondContact CA-OD2 3.15Å; L158-D472 PolarHBondContact N-OD1 2.98Å; F159-D472 VanDerWaalsContact CB-OD1 3.32Å; F159-D472 WeakPolarHBondContact CB-OD1 3.21Å; F159-D472 PolarHBondContact N-OD1 3.1Å; F159-D472 PolarHBondContact N-OD2 3.12Å; Q160-D472 PolarHBondContact N-OD2 2.65Å
473L98.2Very high89.9Confident5 Ų558.9 Ų58.93%0.02629%0.29CS..  trans-102.6112172.4-175.465.8000108.3L158 F279 L447 A452 L454 V475L158-L473 HydrophobicContact CB-CB 4.27Å; L158-L473 VanDerWaalsContact CB-O 3.25Å; L158-L473 WeakPolarHBondContact CB-O 3.47Å; L158-L473 HydrophobicContact CD2-CD2 3.99Å; L158-L473 PolarHBondContact N-O 3.32Å; F279-L473 HydrophobicContact CE2-CB 4.1Å; L447-L473 HydrophobicContact CD2-CD1 4.06Å; L447-L473 HydrophobicContact CD2-CD2 3.63Å; L447-L473 HydrophobicContact CD2-CG 3.77Å; A452-L473 HydrophobicContact CB-CD1 3.8Å; L454-L473 HydrophobicContact CD2-CD2 4.15Å; L473-V475 PolarHBondContact O-N 3.42Å
474L98.4Very high89.6Confident101 Ų10161 Ų6153%0.52930%0.296SS..EExtended strand (participates in β ladder)trans-71.5125.8-177.7-67.4-179.1000111.2C448C448-L474 HydrophobicContact CB-CB 4.13Å; C448-L474 PolarHBondContact N-O 2.96Å
475V97.8Very high89.3Confident0 Ų062.2 Ų62.20%030%0.303CS..EExtended strand (participates in β ladder)trans-125.5155176.9-67.80000110.1E155 E156 L158 L286 L445 E446 L447 L473E155-V475 CarbonylContact C-O 3.58Å; E155-V475 WeakPolarHBondContact CA-O 3.45Å; E156-V475 PolarHBondContact N-O 3.29Å; E156-V475 WeakPolarHBondContact O-CG2 3.4Å; E156-V475 PolarHBondContact O-N 3.33Å; E156-V475 VanDerWaalsContact O-O 3.08Å; L158-V475 HydrophobicContact CB-CG1 3.97Å; L158-V475 HydrophobicContact CB-CG2 4.02Å; L158-V475 HydrophobicContact CD1-CG1 4.26Å; L158-V475 HydrophobicContact CD1-CG2 4.18Å; L158-V475 HydrophobicContact CD2-CG1 4.32Å; L158-V475 HydrophobicContact CG-CG1 4.41Å; L286-V475 HydrophobicContact CD1-CG1 3.79Å; L445-V475 HydrophobicContact CD1-CB 3.87Å; L445-V475 HydrophobicContact CD1-CG1 4.36Å; L445-V475 HydrophobicContact CD1-CG2 3.97Å; E446-V475 CarbonylContact O-C 3.34Å; E446-V475 WeakPolarHBondContact O-CA 3.39Å; E446-V475 WeakPolarHBondContact O-CB 3.38Å; L447-V475 HydrophobicContact CD2-CG1 4.14Å; L473-V475 PolarHBondContact O-N 3.42Å
476R95.2Very high88.9Confident90 Ų9065.1 Ų65.134%0.3431%0.313SS..EExtended strand (participates in β ladder)trans-117.9145.6165.762.9175.8-171.1-1692.5109.8W153 K154 E155 E446W153-R476 HydrophobicContact CD2-CG 4.3Å; W153-R476 HydrophobicContact CE3-CB 3.77Å; W153-R476 HydrophobicContact CE3-CG 3.49Å; W153-R476 VanDerWaalsContact CE3-CG 3.49Å; W153-R476 HydrophobicContact CZ3-CB 4.38Å; W153-R476 HydrophobicContact CZ3-CG 3.75Å; W153-R476 WeakPolarHBondContact CZ3-O 3.22Å; K154-R476 CarbonylContact O-C 3.43Å; K154-R476 WeakPolarHBondContact O-CA 3.32Å; E155-R476 HydrophobicContact CG-CB 4.14Å; E446-R476 HydrophobicContact CB-CG 4.08Å; E446-R476 PolarHBondContact N-O 2.98Å; E446-R476 PolarHBondContact O-N 3.02Å; E446-R476 IonicContact OE2-CZ 3.3Å; E446-R476 VanDerWaalsContact OE2-CZ 3.3Å; E446-R476 IonicContact OE2-NE 3.03Å; E446-R476 PolarHBondContact OE2-NE 3.35Å; E446-R476 IonicContact OE2-NH2 2.72Å; E446-R476 PolarHBondContact OE2-NH2 3.46Å
477Y93.6Very high88.3Confident6 Ų668.1 Ų68.12%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-141.2155.5175.857.6-99.8000113.1M146 W153 K154 E156 L161 D444 L445M146-Y477 HydrophobicContact CB-CE2 4.2Å; M146-Y477 HydrophobicContact CE-CD1 4.22Å; M146-Y477 HydrophobicContact CE-CD2 3.06Å; M146-Y477 HydrophobicContact CE-CE1 4.33Å; M146-Y477 HydrophobicContact CE-CE2 3.2Å; M146-Y477 HydrophobicContact CE-CG 3.59Å; M146-Y477 HydrophobicContact CG-CD2 4.36Å; M146-Y477 HydrophobicContact CG-CE2 3.52Å; M146-Y477 HydrophobicContact SD-CD2 4.24Å; M146-Y477 HydrophobicContact SD-CE2 3.77Å; W153-Y477 WeakPolarHBondContact CA-O 3.44Å; W153-Y477 VanDerWaalsContact CE3-C 3.5Å; K154-Y477 HydrophobicContact CB-CD2 4.36Å; K154-Y477 HydrophobicContact CB-CE2 3.92Å; K154-Y477 HydrophobicContact CD-CE2 3.99Å; K154-Y477 VanDerWaalsContact CD-OH 3.26Å; K154-Y477 WeakPolarHBondContact CD-OH 3.39Å; K154-Y477 WeakPolarHBondContact CE-OH 3.41Å; K154-Y477 HydrophobicContact CG-CE2 4.27Å; K154-Y477 PolarHBondContact N-O 2.87Å; K154-Y477 PolarHBondContact NZ-OH 3.17Å; K154-Y477 PolarHBondContact O-N 2.94Å; E156-Y477 HydrophobicContact CB-CE1 3.98Å; E156-Y477 PolarHBondContact OE2-OH 3.46Å; L161-Y477 HydrophobicContact CD1-CE1 4.1Å; L161-Y477 HydrophobicContact CD2-CD1 4Å; L161-Y477 HydrophobicContact CD2-CE1 3.78Å; D444-Y477 CarbonylContact O-C 3.54Å; D444-Y477 WeakPolarHBondContact O-CA 3.46Å; D444-Y477 WeakPolarHBondContact O-CB 3.34Å; L445-Y477 HydrophobicContact CD1-CD1 4.41Å
478T91.7Very high87.7Confident14 Ų1472.3 Ų72.39%0.08635%0.348CS..EExtended strand (participates in β ladder)trans-146.5147.9171.1-1660000109.8W153 Y443 D444 R480W153-T478 HydrophobicContact CD2-CG2 3.97Å; W153-T478 HydrophobicContact CE3-CG2 4.15Å; W153-T478 HydrophobicContact CH2-CG2 4.06Å; W153-T478 HydrophobicContact CZ2-CG2 3.83Å; W153-T478 HydrophobicContact CZ3-CG2 4.2Å; Y443-T478 CarbonylContact C-O 3.5Å; Y443-T478 WeakPolarHBondContact CA-O 3.4Å; D444-T478 HydrophobicContact CB-CG2 4.11Å; D444-T478 PolarHBondContact N-O 2.95Å; D444-T478 PolarHBondContact O-N 3.23Å; T478-R480 PolarHBondContact O-N 2.79Å
479P88.8Confident87Confident18 Ų1876.3 Ų76.312%0.11737%0.367CS..EExtended strand (participates in β ladder)trans-53.6137.3170-25.635000111.8P147 L148 Q150 Y443P147-P479 WeakPolarHBondContact O-CG 3.32Å; L148-P479 HydrophobicContact CB-CB 4.5Å; L148-P479 HydrophobicContact CD2-CB 3.84Å; L148-P479 HydrophobicContact CD2-CG 4.44Å; Q150-P479 VanDerWaalsContact O-CD 3.25Å; Q150-P479 WeakPolarHBondContact O-CD 3.19Å; Y443-P479 HydrophobicContact CD1-CB 4.41Å; Y443-P479 HydrophobicContact CD1-CG 4.28Å; Y443-P479 HydrophobicContact CE1-CB 4.38Å; Y443-P479 HydrophobicContact CE1-CG 4.03Å
480R85.2Confident86.2Confident76 Ų7680.9 Ų80.929%0.28739%0.388SS..PPolyproline II helixtrans-69.1136.4170.1-78.9-171-179.2146.423.5110.1L440 S442 Y443 D444 T478 T482L440-R480 PolarHBondContact O-NH1 3.28Å; L440-R480 PolarHBondContact O-NH2 3.47Å; S442-R480 PolarHBondContact O-N 2.92Å; Y443-R480 PolarHBondContact O-NE 3.41Å; Y443-R480 PolarHBondContact O-NH2 3.39Å; D444-R480 WeakPolarHBondContact OD1-CG 3.43Å; D444-R480 IonicContact OD1-CZ 3.51Å; D444-R480 IonicContact OD1-NE 3.94Å; D444-R480 PolarHBondContact OD1-NE 3.46Å; D444-R480 IonicContact OD1-NH2 2.79Å; T478-R480 PolarHBondContact O-N 2.79Å; R480-T482 PolarHBondContact O-N 3.3Å
481E69.3Low85.5Confident148 Ų14877.8 Ų77.869%0.69237%0.374SS*.PPolyproline II helixtrans-62.7118.2164.3-67.2-168.7155.800108.3R483E481-R483 PolarHBondContact O-N 3.05Å
482T58.2Low84.7Confident141 Ų14181.1 Ų81.187%0.86537%0.372SS*.  trans-60.8109.1167.641.50000107.5R480R480-T482 PolarHBondContact O-N 3.3Å
483R42.5Very low83.5Confident315 Ų31583.1 Ų83.1100%1.18938%0.378SS*.  trans-71.20168.1-79.5-171.4-179.3-179.10.8111.2E481E481-R483 PolarHBondContact O-N 3.05Å

Retrieved 483 of 483 residues in 3993.2 ms (Link to these results)

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