A0A087YL23_POEFO Loading...

Unc-51 like kinase 4

AlphaFold DB , UniProt , Accession A0A087YL23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 767 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
1M76.1Confident80.9Confident136 Ų13691.9 Ų91.967%0.6746%0.463SS*.  0-68.60-62.5-49.9-87.700112.2L3 L4 A5 A20 F48M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.31Å; M1-L4 WeakPolarHBondContact O-CA 3.41Å; M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-L4 HydrophobicContact SD-CD1 4.24Å; M1-A5 PolarHBondContact O-N 3.09Å; M1-A20 HydrophobicContact CE-CB 4.37Å; M1-F48 HydrophobicContact CB-CE2 3.87Å; M1-F48 HydrophobicContact CB-CZ 3.97Å; M1-F48 HydrophobicContact CE-CZ 3.91Å
2G77.5Confident80.9Confident15 Ų1595.2 Ų95.216%0.15548%0.476CS..Hα-helixtrans-55.2-40.7-179.900000115.3L4 A5 L6G2-L4 PolarHBondContact O-N 3.38Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 3.47Å; G2-A5 VanDerWaalsContact O-N 3.16Å; G2-L6 PolarHBondContact O-N 3.1Å
3L81.7Confident80.5Confident124 Ų12497.7 Ų97.765%0.64949%0.485SS*.Hα-helixtrans-64.2-37.9173.9-71.6170.9000113M1 A5 L6 Y7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.31Å; L3-A5 PolarHBondContact O-N 3.04Å; L3-L6 PolarHBondContact O-N 3.17Å; L3-Y7 HydrophobicContact CD2-CE2 4.35Å; L3-Y7 WeakPolarHBondContact O-CD2 3.3Å; L3-Y7 PolarHBondContact O-N 3.21Å; L3-Y7 VanDerWaalsContact O-N 3.15Å
4L83.4Confident80Confident123 Ų123101.1 Ų101.164%0.64451%0.506SS*.Hα-helixtrans-64.6-37.3175-65.7171.9000110.1M1 G2 C8M1-L4 WeakPolarHBondContact O-CA 3.41Å; M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-L4 HydrophobicContact SD-CD1 4.24Å; G2-L4 PolarHBondContact O-N 3.38Å; L4-C8 WeakPolarHBondContact O-CB 3.45Å; L4-C8 PolarHBondContact O-N 3.26Å; L4-C8 VanDerWaalsContact O-N 3.1Å
5A83Confident80Confident5 Ų598.5 Ų98.54%0.04150%0.5CS..Hα-helixtrans-65-45.9176.400000112.4M1 G2 L3 Y7 C8 E47 F48 M51M1-A5 PolarHBondContact O-N 3.09Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 3.47Å; G2-A5 VanDerWaalsContact O-N 3.16Å; L3-A5 PolarHBondContact O-N 3.04Å; A5-Y7 VanDerWaalsContact C-N 3.3Å; A5-Y7 PolarHBondContact O-N 2.65Å; A5-C8 WeakPolarHBondContact O-CB 3.36Å; A5-C8 PolarHBondContact O-N 3.01Å; A5-E47 HydrophobicContact CB-CB 3.96Å; A5-F48 HydrophobicContact CB-CD1 3.82Å; A5-F48 HydrophobicContact CB-CE1 3.81Å; A5-F48 HydrophobicContact CB-CG 4.27Å; A5-F48 HydrophobicContact CB-CZ 4.25Å; A5-M51 HydrophobicContact CB-CE 3.3Å; A5-M51 WeakPolarHBondContact O-CE 3.36Å
6L81.2Confident80.1Confident90 Ų90100.4 Ų100.447%0.47151%0.506SS..Hα-helixtrans-59.4-37.8178.5-17966.3000113.2G2 L3 E47G2-L6 PolarHBondContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.17Å; L6-E47 WeakPolarHBondContact CD1-OE2 3.39Å
7Y83.6Confident80.5Confident188 Ų18894.9 Ų94.974%0.73748%0.479SS*.THydrogen-bonded Turntrans-94.34.3-179.7-67.1-68.5000113.8L3 A5 S9L3-Y7 HydrophobicContact CD2-CE2 4.35Å; L3-Y7 WeakPolarHBondContact O-CD2 3.3Å; L3-Y7 PolarHBondContact O-N 3.21Å; L3-Y7 VanDerWaalsContact O-N 3.15Å; A5-Y7 VanDerWaalsContact C-N 3.3Å; A5-Y7 PolarHBondContact O-N 2.65Å; Y7-S9 PolarHBondContact O-N 3.14Å
8C83.2Confident80.8Confident49 Ų4991 Ų9133%0.33146%0.462SS..  trans-78.1116.1176.9-169.50000109.9L4 A5 R10 M51L4-C8 WeakPolarHBondContact O-CB 3.45Å; L4-C8 PolarHBondContact O-N 3.26Å; L4-C8 VanDerWaalsContact O-N 3.1Å; A5-C8 WeakPolarHBondContact O-CB 3.36Å; A5-C8 PolarHBondContact O-N 3.01Å; C8-R10 PolarHBondContact SG-O 2.9Å; C8-M51 HydrophobicContact CB-CE 3.71Å; C8-M51 HydrophobicContact CB-SD 4.09Å
9S75.9Confident81.3Confident103 Ų10392.3 Ų92.372%0.7247%0.466SS*.SBendtrans-84.2-25-178.955.30000113.8Y7 K58Y7-S9 PolarHBondContact O-N 3.14Å; S9-K58 PolarHBondContact O-NZ 3.22Å
10R80.4Confident81.7Confident174 Ų17488.9 Ų88.966%0.65745%0.452SS*.  trans-150.9133-178-171.9178.8-176.1-174-0.3110.3C8C8-R10 PolarHBondContact SG-O 2.9Å
11L83.8Confident82.2Confident4 Ų484.6 Ų84.62%0.02143%0.431CS..  trans-104.7110.2178.7-17859.9000111.3C15 V17 M51 I52 E55 R59 W66L11-C15 HydrophobicContact CD1-CB 3.66Å; L11-V17 HydrophobicContact CD1-CG2 3.46Å; L11-V17 VanDerWaalsContact CD1-CG2 3.46Å; L11-V17 HydrophobicContact CD2-CB 4.5Å; L11-V17 HydrophobicContact CD2-CG2 4.19Å; L11-V17 HydrophobicContact CG-CG2 4.43Å; L11-M51 HydrophobicContact CB-SD 3.99Å; L11-M51 HydrophobicContact CD1-SD 3.9Å; L11-M51 HydrophobicContact CD2-SD 3.9Å; L11-M51 HydrophobicContact CG-SD 4.14Å; L11-I52 HydrophobicContact CD2-CG1 4.23Å; L11-E55 HydrophobicContact CB-CB 4.39Å; L11-E55 HydrophobicContact CB-CG 3.76Å; L11-E55 PolarHBondContact N-OE2 3.4Å; L11-E55 VanDerWaalsContact N-OE2 3.17Å; L11-R59 PolarHBondContact O-NH2 3.36Å; L11-W66 HydrophobicContact CB-CH2 4.45Å; L11-W66 HydrophobicContact CB-CZ2 4.13Å; L11-W66 HydrophobicContact CD2-CD2 3.95Å; L11-W66 HydrophobicContact CD2-CE3 4.46Å; L11-W66 HydrophobicContact CD2-CG 4.42Å; L11-W66 HydrophobicContact CD2-CH2 4.22Å; L11-W66 HydrophobicContact CD2-CZ2 3.71Å; L11-W66 HydrophobicContact CG-CH2 4.41Å; L11-W66 HydrophobicContact CG-CZ2 3.71Å; L11-W66 WeakPolarHBondContact O-CZ2 3.22Å
12E81.2Confident83Confident131 Ų13179.5 Ų79.561%0.61241%0.408SS*.  trans-68.3150.7176.8-65.8-178169.800112D14 C15E12-D14 PolarHBondContact O-N 3.1Å; E12-C15 VanDerWaalsContact O-CB 3.25Å; E12-C15 WeakPolarHBondContact O-CB 3.36Å; E12-C15 PolarHBondContact O-N 3.01Å
13E75.6Confident83.7Confident128 Ų12882.6 Ų82.660%0.59842%0.424SS*.THydrogen-bonded Turntrans-65.2-30.9-176.8-67.2177.4-17300112C15 R59E13-C15 PolarHBondContact O-N 3.47Å; E13-R59 IonicContact OE1-NH1 3.95Å
14D73.4Confident84.2Confident146 Ų14677.9 Ų77.978%0.78140%0.4SS*.THydrogen-bonded Turntrans-75.90.5178.8-58.6-38.7000113.6E12E12-D14 PolarHBondContact O-N 3.1Å
15C79.5Confident84.6Confident61 Ų6172 Ų7241%0.41237%0.369SS..  trans-80.6125.5-177.1-160.70000111.6L11 E12 E13 V17L11-C15 HydrophobicContact CD1-CB 3.66Å; E12-C15 VanDerWaalsContact O-CB 3.25Å; E12-C15 WeakPolarHBondContact O-CB 3.36Å; E12-C15 PolarHBondContact O-N 3.01Å; E13-C15 PolarHBondContact O-N 3.47Å; C15-V17 HydrophobicContact CB-CG2 4.15Å; C15-V17 PolarHBondContact O-N 3.15Å
16H81.9Confident85.1Confident129 Ų12974.7 Ų74.760%0.59738%0.383SS*.THydrogen-bonded Turntrans-71.841.6178.9-65.5-93000114.2S18 E19H16-S18 VanDerWaalsContact C-N 3.29Å; H16-S18 PolarHBondContact O-N 3.27Å; H16-E19 HydrophobicContact CB-CG 4.5Å; H16-E19 IonicContact CE1-OE1 3.5Å; H16-E19 IonicContact CG-OE1 3.7Å; H16-E19 IonicContact ND1-OE1 3.1Å; H16-E19 PolarHBondContact ND1-OE1 3.2Å; H16-E19 PolarHBondContact O-N 2.9Å
17V87Confident85.7Confident7 Ų774 Ų744%0.04238%0.379CS..Hα-helixtrans-66.3-32.6-179.5177.50000111.7L11 C15 E19 A20 V21 F48 I52L11-V17 HydrophobicContact CD1-CG2 3.46Å; L11-V17 VanDerWaalsContact CD1-CG2 3.46Å; L11-V17 HydrophobicContact CD2-CB 4.5Å; L11-V17 HydrophobicContact CD2-CG2 4.19Å; L11-V17 HydrophobicContact CG-CG2 4.43Å; C15-V17 HydrophobicContact CB-CG2 4.15Å; C15-V17 PolarHBondContact O-N 3.15Å; V17-E19 VanDerWaalsContact C-N 3.27Å; V17-E19 PolarHBondContact O-N 3.46Å; V17-A20 WeakPolarHBondContact O-CB 3.38Å; V17-A20 PolarHBondContact O-N 3.47Å; V17-A20 VanDerWaalsContact O-N 3.15Å; V17-V21 HydrophobicContact CG1-CG2 4.16Å; V17-V21 WeakPolarHBondContact O-CG2 3.36Å; V17-V21 PolarHBondContact O-N 3.28Å; V17-F48 HydrophobicContact CG1-CD1 3.64Å; V17-F48 HydrophobicContact CG1-CE1 4.23Å; V17-F48 HydrophobicContact CG1-CG 4.35Å; V17-I52 HydrophobicContact CG1-CD1 3.89Å; V17-I52 HydrophobicContact CG1-CG1 4.04Å
18S86.8Confident86Confident25 Ų2565.1 Ų65.118%0.17534%0.344CS..Hα-helixtrans-58.6-35.3175.8-67.10000113.4H16 S22 F67H16-S18 VanDerWaalsContact C-N 3.29Å; H16-S18 PolarHBondContact O-N 3.27Å; S18-S22 WeakPolarHBondContact O-CB 3.43Å; S18-S22 PolarHBondContact O-N 3Å; S18-S22 PolarHBondContact O-OG 3.08Å; S18-F67 VanDerWaalsContact CB-O 3.24Å; S18-F67 WeakPolarHBondContact CB-O 3.15Å; S18-F67 PolarHBondContact OG-N 3.27Å; S18-F67 PolarHBondContact OG-O 3.45Å
19E88.8Confident86.4Confident116 Ų11668.2 Ų68.254%0.54235%0.349SS..Hα-helixtrans-70.1-40.7176.3-68.5175.2-156.500111.4H16 V17 S22 T23H16-E19 HydrophobicContact CB-CG 4.5Å; H16-E19 IonicContact CE1-OE1 3.5Å; H16-E19 IonicContact CG-OE1 3.7Å; H16-E19 IonicContact ND1-OE1 3.1Å; H16-E19 PolarHBondContact ND1-OE1 3.2Å; H16-E19 PolarHBondContact O-N 2.9Å; V17-E19 VanDerWaalsContact C-N 3.27Å; V17-E19 PolarHBondContact O-N 3.46Å; E19-S22 PolarHBondContact O-N 3.47Å; E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 PolarHBondContact O-N 2.89Å; E19-T23 PolarHBondContact O-OG1 3.45Å
20A89.6Confident87Confident23 Ų2368.6 Ų68.619%0.1934%0.343CS..Hα-helixtrans-63.8-43.9175.700000111.5M1 V17 T23 L24 F48M1-A20 HydrophobicContact CE-CB 4.37Å; V17-A20 WeakPolarHBondContact O-CB 3.38Å; V17-A20 PolarHBondContact O-N 3.47Å; V17-A20 VanDerWaalsContact O-N 3.15Å; A20-T23 PolarHBondContact O-N 3.08Å; A20-L24 WeakPolarHBondContact O-CB 3.32Å; A20-L24 VanDerWaalsContact O-CG 3.28Å; A20-L24 WeakPolarHBondContact O-CG 3.5Å; A20-L24 PolarHBondContact O-N 2.73Å; A20-F48 HydrophobicContact CB-CE2 4.48Å; A20-F48 HydrophobicContact CB-CZ 4.46Å
21V92.1Very high87.3Confident0 Ų062.8 Ų62.80%033%0.325CS..Hα-helixtrans-63.3-42.5175176.20000110.9V17 L24 A25 L45 F48 L49 I52 V68 P69 A72V17-V21 HydrophobicContact CG1-CG2 4.16Å; V17-V21 WeakPolarHBondContact O-CG2 3.36Å; V17-V21 PolarHBondContact O-N 3.28Å; V21-L24 PolarHBondContact O-N 2.96Å; V21-A25 VanDerWaalsContact O-CB 3.25Å; V21-A25 WeakPolarHBondContact O-CB 3.44Å; V21-A25 PolarHBondContact O-N 2.95Å; V21-L45 HydrophobicContact CG1-CD1 3.95Å; V21-F48 HydrophobicContact CG2-CB 3.73Å; V21-F48 HydrophobicContact CG2-CG 4.32Å; V21-L49 HydrophobicContact CG1-CD2 4.15Å; V21-I52 HydrophobicContact CG2-CD1 4.05Å; V21-V68 HydrophobicContact CG1-CG1 4.23Å; V21-P69 HydrophobicContact CG1-CG 4.41Å; V21-A72 HydrophobicContact CG1-CB 4.26Å
22S92.7Very high87.2Confident28 Ų2864 Ų6420%0.19633%0.331CS..Hα-helixtrans-62.7-46.2177.9-58.20000112.3S18 E19 L24 A25 D26S18-S22 WeakPolarHBondContact O-CB 3.43Å; S18-S22 PolarHBondContact O-N 3Å; S18-S22 PolarHBondContact O-OG 3.08Å; E19-S22 PolarHBondContact O-N 3.47Å; S22-L24 PolarHBondContact O-N 3.03Å; S22-A25 PolarHBondContact O-N 3.37Å; S22-D26 WeakPolarHBondContact O-CB 3.38Å; S22-D26 VanDerWaalsContact O-CG 3.3Å; S22-D26 PolarHBondContact O-N 3.45Å
23T92.4Very high87.3Confident81 Ų8169.5 Ų69.550%0.49735%0.346SS..Hα-helixtrans-61.1-45177.1-54.20000111.3E19 A20 D26 L27E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 PolarHBondContact O-N 2.89Å; E19-T23 PolarHBondContact O-OG1 3.45Å; A20-T23 PolarHBondContact O-N 3.08Å; T23-D26 PolarHBondContact O-N 3.49Å; T23-L27 HydrophobicContact CG2-CD1 4.13Å; T23-L27 WeakPolarHBondContact O-CB 3.29Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.32Å; T23-L27 PolarHBondContact O-N 3.5Å
24L92.5Very high88Confident24 Ų2466.6 Ų66.613%0.12634%0.335CS..Hα-helixtrans-65.3-39.3177.4-72.2171.6000112.1A20 V21 S22 L28 L41 P44 L45 F48A20-L24 WeakPolarHBondContact O-CB 3.32Å; A20-L24 VanDerWaalsContact O-CG 3.28Å; A20-L24 WeakPolarHBondContact O-CG 3.5Å; A20-L24 PolarHBondContact O-N 2.73Å; V21-L24 PolarHBondContact O-N 2.96Å; S22-L24 PolarHBondContact O-N 3.03Å; L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 PolarHBondContact O-N 3.14Å; L24-L41 HydrophobicContact CD2-CD2 3.95Å; L24-P44 HydrophobicContact CD1-CB 4.18Å; L24-P44 HydrophobicContact CD1-CG 4.49Å; L24-P44 HydrophobicContact CD2-CG 4.31Å; L24-L45 HydrophobicContact CB-CB 4.47Å; L24-L45 HydrophobicContact CB-CD1 4.17Å; L24-F48 HydrophobicContact CD1-CD2 3.78Å; L24-F48 HydrophobicContact CD1-CE2 3.98Å
25A92.6Very high88.7Confident0 Ų062.3 Ų62.30%031%0.312CS..Hα-helixtrans-66.5-41.9177.400000112.2V21 S22 L28 R29 P69 A71 A72V21-A25 VanDerWaalsContact O-CB 3.25Å; V21-A25 WeakPolarHBondContact O-CB 3.44Å; V21-A25 PolarHBondContact O-N 2.95Å; S22-A25 PolarHBondContact O-N 3.37Å; A25-L28 PolarHBondContact O-N 3.28Å; A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 2.93Å; A25-P69 HydrophobicContact CB-CG 4.22Å; A25-A71 HydrophobicContact CB-CB 4.12Å; A25-A72 HydrophobicContact CB-CB 3.91Å
26D93.4Very high89.2Confident62 Ų6266.8 Ų66.833%0.33232%0.324SS..Hα-helixtrans-64.9-47.4176.1-71.8-28.8000110.9S22 T23 L28 R29 D30S22-D26 WeakPolarHBondContact O-CB 3.38Å; S22-D26 VanDerWaalsContact O-CG 3.3Å; S22-D26 PolarHBondContact O-N 3.45Å; T23-D26 PolarHBondContact O-N 3.49Å; D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 PolarHBondContact O-N 3.37Å; D26-R29 PolarHBondContact O-N 3.13Å; D26-R29 IonicContact OD1-CZ 2.75Å; D26-R29 IonicContact OD1-NH1 2.8Å; D26-R29 PolarHBondContact OD1-NH1 2.77Å; D26-R29 IonicContact OD1-NH2 3.29Å; D26-R29 PolarHBondContact OD1-NH2 2.85Å; D26-D30 WeakPolarHBondContact O-CB 3.28Å; D26-D30 PolarHBondContact O-N 2.95Å
27L92.6Very high89.5Confident76 Ų7663.7 Ų63.740%0.39831%0.312SS..Hα-helixtrans-59.6-38.3175.3-72.3173.1000112.3T23 N31 L41T23-L27 HydrophobicContact CG2-CD1 4.13Å; T23-L27 WeakPolarHBondContact O-CB 3.29Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.32Å; T23-L27 PolarHBondContact O-N 3.5Å; L27-N31 WeakPolarHBondContact O-CB 3.5Å; L27-N31 PolarHBondContact O-N 3.19Å; L27-N31 PolarHBondContact O-ND2 2.95Å; L27-L41 HydrophobicContact CB-CD1 3.99Å; L27-L41 HydrophobicContact CB-CD2 4.11Å; L27-L41 HydrophobicContact CD1-CD2 4.27Å
28L91.8Very high89.7Confident0 Ų063.5 Ų63.50%031%0.31CS..Hα-helixtrans-68.3-43.2176.9-177.864.1000111.5L24 A25 D26 N31 L32 K38 L41 L42 L45L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 PolarHBondContact O-N 3.14Å; A25-L28 PolarHBondContact O-N 3.28Å; D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 PolarHBondContact O-N 3.37Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 3.05Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-K38 HydrophobicContact CD1-CB 4.44Å; L28-K38 HydrophobicContact CD1-CG 3.94Å; L28-L41 HydrophobicContact CB-CD1 4.44Å; L28-L41 HydrophobicContact CD1-CB 4.34Å; L28-L42 HydrophobicContact CD1-CD2 4.27Å; L28-L42 HydrophobicContact CD1-CG 4.31Å; L28-L42 HydrophobicContact CD2-CD2 3.82Å; L28-L45 HydrophobicContact CD2-CD2 3.77Å
29R89.9Confident90Very high114 Ų11465.1 Ų65.143%0.4332%0.315SS..Hα-helixtrans-61.5-43.4177.3-179.1-174.264.3-133.9-8.1111.6A25 D26 N31 L32A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 2.93Å; D26-R29 PolarHBondContact O-N 3.13Å; D26-R29 IonicContact OD1-CZ 2.75Å; D26-R29 IonicContact OD1-NH1 2.8Å; D26-R29 PolarHBondContact OD1-NH1 2.77Å; D26-R29 IonicContact OD1-NH2 3.29Å; D26-R29 PolarHBondContact OD1-NH2 2.85Å; R29-N31 VanDerWaalsContact C-N 3.25Å; R29-N31 PolarHBondContact O-N 2.69Å; R29-L32 WeakPolarHBondContact O-CD1 3.45Å; R29-L32 VanDerWaalsContact O-CG 3.27Å; R29-L32 WeakPolarHBondContact O-CG 3.45Å
30D89.4Confident90.1Very high112 Ų11266.9 Ų66.960%0.59932%0.322SS*.Hα-helixtrans-74.5-20.8-175.9-62.5-9.7000111.7D26D26-D30 WeakPolarHBondContact O-CB 3.28Å; D26-D30 PolarHBondContact O-N 2.95Å
31N87Confident90.2Very high51 Ų5166.9 Ų66.927%0.27332%0.318SS..THydrogen-bonded Turntrans-113.628-176.7-65.8-77.6000114.4L27 L28 R29 R33 N34 L37L27-N31 WeakPolarHBondContact O-CB 3.5Å; L27-N31 PolarHBondContact O-N 3.19Å; L27-N31 PolarHBondContact O-ND2 2.95Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 3.05Å; R29-N31 VanDerWaalsContact C-N 3.25Å; R29-N31 PolarHBondContact O-N 2.69Å; N31-R33 PolarHBondContact O-N 3.01Å; N31-N34 PolarHBondContact O-N 3.36Å; N31-L37 HydrophobicContact CB-CB 4.31Å; N31-L37 HydrophobicContact CB-CD1 3.92Å; N31-L37 WeakPolarHBondContact OD1-CD1 3.43Å
32L81.4Confident90.3Very high29 Ų2966.9 Ų66.915%0.15232%0.318CS..THydrogen-bonded Turntrans-58.3-17-176.4-76.5169000115.8L28 R29 K38 R78L28-L32 PolarHBondContact O-N 3.42Å; R29-L32 WeakPolarHBondContact O-CD1 3.45Å; R29-L32 VanDerWaalsContact O-CG 3.27Å; R29-L32 WeakPolarHBondContact O-CG 3.45Å; L32-K38 VanDerWaalsContact C-CE 3.43Å; L32-K38 WeakPolarHBondContact O-CE 3.15Å; L32-K38 PolarHBondContact O-NZ 3.36Å; L32-R78 HydrophobicContact CD2-CB 4.07Å
33R84.1Confident90.3Very high247 Ų24768.1 Ų68.193%0.93233%0.325SS*.THydrogen-bonded Turntrans-96.1-9.1176.8-65.1-176.6-180178.60.3113.8N31N31-R33 PolarHBondContact O-N 3.01Å
34N89.4Confident90.3Very high67 Ų6765.2 Ų65.236%0.35831%0.308SS..  trans-10295.6-174.3-170.9-23.4000111.3N31 K36 L37 K38N31-N34 PolarHBondContact O-N 3.36Å; N34-K36 VanDerWaalsContact C-N 3.29Å; N34-K36 PolarHBondContact O-N 3.5Å; N34-K36 PolarHBondContact OD1-N 3.37Å; N34-L37 HydrophobicContact CB-CB 4.18Å; N34-L37 HydrophobicContact CB-CD1 4.11Å; N34-L37 HydrophobicContact CB-CG 4.3Å; N34-L37 VanDerWaalsContact ND2-CD1 3.32Å; N34-L37 WeakPolarHBondContact ND2-CD1 3.28Å; N34-L37 PolarHBondContact O-N 3.31Å; N34-L37 VanDerWaalsContact O-N 3.16Å; N34-L37 PolarHBondContact OD1-N 2.98Å; N34-K38 PolarHBondContact O-N 3.39Å
35N88.3Confident90.3Very high56 Ų5664.1 Ų64.130%0.29930%0.303SS..Hα-helixtrans-59.5-36.4-177.5-67.2-15.4000113.1L37 K38 Q39 D85 V88N35-L37 PolarHBondContact O-N 3.48Å; N35-K38 PolarHBondContact O-N 3.22Å; N35-Q39 WeakPolarHBondContact O-CG 3.26Å; N35-Q39 PolarHBondContact O-N 3.37Å; N35-D85 HydrophobicContact CB-CB 4.3Å; N35-V88 HydrophobicContact CB-CG2 4.23Å
36K89.5Confident90.3Very high155 Ų15564.2 Ų64.267%0.67430%0.304SS*.Hα-helixtrans-62.4-44.3177.2-68.2-176179.4-179.70111.4N34 Q39 F40N34-K36 VanDerWaalsContact C-N 3.29Å; N34-K36 PolarHBondContact O-N 3.5Å; N34-K36 PolarHBondContact OD1-N 3.37Å; K36-Q39 PolarHBondContact O-N 2.96Å; K36-F40 WeakPolarHBondContact O-CD2 3.26Å; K36-F40 PolarHBondContact O-N 3.27Å
37L89.3Confident90.3Very high64 Ų6463.1 Ų63.134%0.33530%0.296SS..Hα-helixtrans-67.2-40.1177.4-70.8178000111.8N31 N34 N35 Q39 F40 L41N31-L37 HydrophobicContact CB-CB 4.31Å; N31-L37 HydrophobicContact CB-CD1 3.92Å; N31-L37 WeakPolarHBondContact OD1-CD1 3.43Å; N34-L37 HydrophobicContact CB-CB 4.18Å; N34-L37 HydrophobicContact CB-CD1 4.11Å; N34-L37 HydrophobicContact CB-CG 4.3Å; N34-L37 VanDerWaalsContact ND2-CD1 3.32Å; N34-L37 WeakPolarHBondContact ND2-CD1 3.28Å; N34-L37 PolarHBondContact O-N 3.31Å; N34-L37 VanDerWaalsContact O-N 3.16Å; N34-L37 PolarHBondContact OD1-N 2.98Å; N35-L37 PolarHBondContact O-N 3.48Å; L37-Q39 VanDerWaalsContact C-N 3.27Å; L37-Q39 PolarHBondContact O-N 2.95Å; L37-F40 PolarHBondContact O-N 3.01Å; L37-L41 HydrophobicContact CB-CD1 4.48Å; L37-L41 VanDerWaalsContact O-CG 3.3Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 2.92Å
38K91.1Very high90.2Very high3 Ų360 Ų601%0.01328%0.28CS..Hα-helixtrans-55.7-42.5173.3-69.6-175.1-179.1175.20112.2L28 L32 N34 N35 F40 L41 L42 V88L28-K38 HydrophobicContact CD1-CB 4.44Å; L28-K38 HydrophobicContact CD1-CG 3.94Å; L32-K38 VanDerWaalsContact C-CE 3.43Å; L32-K38 WeakPolarHBondContact O-CE 3.15Å; L32-K38 PolarHBondContact O-NZ 3.36Å; N34-K38 PolarHBondContact O-N 3.39Å; N35-K38 PolarHBondContact O-N 3.22Å; K38-F40 PolarHBondContact O-N 3.39Å; K38-L41 PolarHBondContact O-N 2.93Å; K38-L42 HydrophobicContact CB-CD1 4.12Å; K38-L42 WeakPolarHBondContact O-CB 3.43Å; K38-L42 VanDerWaalsContact O-CG 3.32Å; K38-L42 WeakPolarHBondContact O-CG 3.35Å; K38-L42 PolarHBondContact O-N 2.89Å; K38-V88 HydrophobicContact CB-CG1 4.14Å; K38-V88 HydrophobicContact CB-CG2 3.91Å; K38-V88 HydrophobicContact CD-CG1 3.72Å; K38-V88 HydrophobicContact CD-CG2 4.45Å
39Q91.8Very high90.2Very high59 Ų5960.2 Ų60.228%0.27628%0.281SS..Hα-helixtrans-61.1-28.9178.2-69.617615.100113.2N35 K36 L37 P43 D85 V87 V88 M91N35-Q39 WeakPolarHBondContact O-CG 3.26Å; N35-Q39 PolarHBondContact O-N 3.37Å; K36-Q39 PolarHBondContact O-N 2.96Å; L37-Q39 VanDerWaalsContact C-N 3.27Å; L37-Q39 PolarHBondContact O-N 2.95Å; Q39-P43 WeakPolarHBondContact O-CD 3.48Å; Q39-P43 WeakPolarHBondContact O-CG 3.49Å; Q39-D85 PolarHBondContact NE2-OD2 3.1Å; Q39-V87 HydrophobicContact CG-CG1 4.05Å; Q39-V88 HydrophobicContact CG-CG2 3.72Å; Q39-M91 HydrophobicContact CB-CE 4.16Å; Q39-M91 HydrophobicContact CB-SD 3.96Å; Q39-M91 HydrophobicContact CG-CE 4.32Å; Q39-M91 HydrophobicContact CG-SD 4.07Å
40F90.4Very high90.2Very high154 Ų15458.5 Ų58.568%0.67528%0.275SS*.Hα-helixtrans-86.1-30.1175.2-69.3-69.4000113.7K36 L37 K38 P44K36-F40 WeakPolarHBondContact O-CD2 3.26Å; K36-F40 PolarHBondContact O-N 3.27Å; L37-F40 PolarHBondContact O-N 3.01Å; K38-F40 PolarHBondContact O-N 3.39Å; F40-P44 WeakPolarHBondContact O-CD 3.42Å; F40-P44 VanDerWaalsContact O-CG 3.26Å; F40-P44 WeakPolarHBondContact O-CG 3.47Å
41L92.9Very high90.2Very high22 Ų2253.8 Ų53.812%0.11525%0.249CC..Hα-helixtrans-89.1-34-174-66.2172000113.4L24 L27 L28 L37 K38 P44 L45L24-L41 HydrophobicContact CD2-CD2 3.95Å; L27-L41 HydrophobicContact CB-CD1 3.99Å; L27-L41 HydrophobicContact CB-CD2 4.11Å; L27-L41 HydrophobicContact CD1-CD2 4.27Å; L28-L41 HydrophobicContact CB-CD1 4.44Å; L28-L41 HydrophobicContact CD1-CB 4.34Å; L37-L41 HydrophobicContact CB-CD1 4.48Å; L37-L41 VanDerWaalsContact O-CG 3.3Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 2.92Å; K38-L41 PolarHBondContact O-N 2.93Å; L41-P44 VanDerWaalsContact O-CD 3.32Å; L41-P44 WeakPolarHBondContact O-CD 3.49Å; L41-P44 WeakPolarHBondContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CB 3.49Å; L41-L45 PolarHBondContact O-N 3.17Å
42L92.9Very high90.3Very high0 Ų051.4 Ų51.40%024%0.236CC..Hα-helixtrans-66.2-46.6-176.6-74.3168000113.6L28 K38 L45 G46 L76 V88 M91 A92L28-L42 HydrophobicContact CD1-CD2 4.27Å; L28-L42 HydrophobicContact CD1-CG 4.31Å; L28-L42 HydrophobicContact CD2-CD2 3.82Å; K38-L42 HydrophobicContact CB-CD1 4.12Å; K38-L42 WeakPolarHBondContact O-CB 3.43Å; K38-L42 VanDerWaalsContact O-CG 3.32Å; K38-L42 WeakPolarHBondContact O-CG 3.35Å; K38-L42 PolarHBondContact O-N 2.89Å; L42-L45 PolarHBondContact O-N 3.42Å; L42-G46 PolarHBondContact O-N 2.85Å; L42-L76 HydrophobicContact CD2-CD2 3.8Å; L42-V88 HydrophobicContact CD1-CG1 3.84Å; L42-M91 HydrophobicContact CB-CB 4.22Å; L42-M91 HydrophobicContact CD1-CB 4.33Å; L42-A92 HydrophobicContact CD1-CB 4.21Å; L42-A92 HydrophobicContact CD2-CB 4.4Å
43P92.9Very high90.6Very high54 Ų5450 Ų5035%0.35123%0.23SC..Hα-helixtrans-57.9-52.4178.5-23.333.6000114.1Q39 L45 G46 E47 M91Q39-P43 WeakPolarHBondContact O-CD 3.48Å; Q39-P43 WeakPolarHBondContact O-CG 3.49Å; P43-L45 VanDerWaalsContact C-N 3.32Å; P43-L45 PolarHBondContact O-N 3.45Å; P43-G46 PolarHBondContact O-N 3.27Å; P43-E47 WeakPolarHBondContact O-CG 3.47Å; P43-E47 PolarHBondContact O-N 3.02Å; P43-M91 HydrophobicContact CG-CG 4.44Å; P43-M91 HydrophobicContact CG-SD 4.01Å
44P92.9Very high90.8Very high21 Ų2139.2 Ų39.214%0.13619%0.191CC..Hα-helixtrans-64.9-35.8179.925.6-33.5000112.5L24 F40 L41 E47 F48L24-P44 HydrophobicContact CD1-CB 4.18Å; L24-P44 HydrophobicContact CD1-CG 4.49Å; L24-P44 HydrophobicContact CD2-CG 4.31Å; F40-P44 WeakPolarHBondContact O-CD 3.42Å; F40-P44 VanDerWaalsContact O-CG 3.26Å; F40-P44 WeakPolarHBondContact O-CG 3.47Å; L41-P44 VanDerWaalsContact O-CD 3.32Å; L41-P44 WeakPolarHBondContact O-CD 3.49Å; L41-P44 WeakPolarHBondContact O-CG 3.24Å; P44-E47 PolarHBondContact O-N 3.44Å; P44-F48 WeakPolarHBondContact O-CD2 3.33Å; P44-F48 PolarHBondContact O-N 2.68Å; P44-F48 VanDerWaalsContact O-N 3.13Å
45L93.3Very high90.7Very high1 Ų136.4 Ų36.41%0.00518%0.176CC..Hα-helixtrans-61.2-46.6174.4-179.962.9000111.1V21 L24 L28 L41 L42 P43 E47 F48 L49 A72V21-L45 HydrophobicContact CG1-CD1 3.95Å; L24-L45 HydrophobicContact CB-CB 4.47Å; L24-L45 HydrophobicContact CB-CD1 4.17Å; L28-L45 HydrophobicContact CD2-CD2 3.77Å; L41-L45 WeakPolarHBondContact O-CB 3.49Å; L41-L45 PolarHBondContact O-N 3.17Å; L42-L45 PolarHBondContact O-N 3.42Å; P43-L45 VanDerWaalsContact C-N 3.32Å; P43-L45 PolarHBondContact O-N 3.45Å; L45-E47 PolarHBondContact O-N 2.82Å; L45-F48 PolarHBondContact O-N 3.36Å; L45-L49 HydrophobicContact CD1-CD1 4.33Å; L45-L49 HydrophobicContact CD1-CG 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.08Å; L45-A72 HydrophobicContact CD1-CB 4.19Å
46G92.6Very high90.5Very high2 Ų234 Ų342%0.02116%0.163CC..Hα-helixtrans-60.6-43.3177.600000113.4L42 P43 L49 Y50L42-G46 PolarHBondContact O-N 2.85Å; P43-G46 PolarHBondContact O-N 3.27Å; G46-L49 PolarHBondContact O-N 3.32Å; G46-Y50 WeakPolarHBondContact O-CB 3.25Å; G46-Y50 PolarHBondContact O-N 3.2Å
47E92.4Very high90.3Very high39 Ų3930.6 Ų30.618%0.18215%0.15CC..Hα-helixtrans-64.8-39.9178.2-68.3-56.2144.600112.6A5 L6 P43 P44 L45 Y50 M51A5-E47 HydrophobicContact CB-CB 3.96Å; L6-E47 WeakPolarHBondContact CD1-OE2 3.39Å; P43-E47 WeakPolarHBondContact O-CG 3.47Å; P43-E47 PolarHBondContact O-N 3.02Å; P44-E47 PolarHBondContact O-N 3.44Å; L45-E47 PolarHBondContact O-N 2.82Å; E47-Y50 PolarHBondContact O-N 3.01Å; E47-M51 WeakPolarHBondContact O-CB 3.15Å; E47-M51 PolarHBondContact O-N 2.66Å
48F91.9Very high90.1Very high11 Ų1133.8 Ų33.85%0.04816%0.161CC..Hα-helixtrans-65.4-45.9174.6-79.1-62.2000112.1M1 A5 V17 A20 V21 L24 P44 L45 Y50 M51 I52M1-F48 HydrophobicContact CB-CE2 3.87Å; M1-F48 HydrophobicContact CB-CZ 3.97Å; M1-F48 HydrophobicContact CE-CZ 3.91Å; A5-F48 HydrophobicContact CB-CD1 3.82Å; A5-F48 HydrophobicContact CB-CE1 3.81Å; A5-F48 HydrophobicContact CB-CG 4.27Å; A5-F48 HydrophobicContact CB-CZ 4.25Å; V17-F48 HydrophobicContact CG1-CD1 3.64Å; V17-F48 HydrophobicContact CG1-CE1 4.23Å; V17-F48 HydrophobicContact CG1-CG 4.35Å; A20-F48 HydrophobicContact CB-CE2 4.48Å; A20-F48 HydrophobicContact CB-CZ 4.46Å; V21-F48 HydrophobicContact CG2-CB 3.73Å; V21-F48 HydrophobicContact CG2-CG 4.32Å; L24-F48 HydrophobicContact CD1-CD2 3.78Å; L24-F48 HydrophobicContact CD1-CE2 3.98Å; P44-F48 WeakPolarHBondContact O-CD2 3.33Å; P44-F48 PolarHBondContact O-N 2.68Å; P44-F48 VanDerWaalsContact O-N 3.13Å; L45-F48 PolarHBondContact O-N 3.36Å; F48-Y50 VanDerWaalsContact C-N 3.28Å; F48-Y50 PolarHBondContact O-N 3.35Å; F48-M51 HydrophobicContact CD1-CE 4.13Å; F48-M51 HydrophobicContact CE1-CE 4.34Å; F48-M51 PolarHBondContact O-N 2.97Å; F48-I52 VanDerWaalsContact O-CG1 3.24Å; F48-I52 WeakPolarHBondContact O-CG1 3.29Å; F48-I52 PolarHBondContact O-N 3.42Å
49L90.9Very high89.6Confident4 Ų437 Ų372%0.02117%0.173CC..Hα-helixtrans-60.8-40.4177.8-67.3174.8000111.6V21 L45 G46 S53 V68 L76 V99V21-L49 HydrophobicContact CG1-CD2 4.15Å; L45-L49 HydrophobicContact CD1-CD1 4.33Å; L45-L49 HydrophobicContact CD1-CG 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.08Å; G46-L49 PolarHBondContact O-N 3.32Å; L49-S53 WeakPolarHBondContact O-CB 3.29Å; L49-S53 PolarHBondContact O-N 3.17Å; L49-S53 PolarHBondContact O-OG 3.43Å; L49-V68 HydrophobicContact CD2-CB 4.46Å; L49-V68 HydrophobicContact CD2-CG1 3.49Å; L49-V68 VanDerWaalsContact CD2-CG1 3.49Å; L49-V68 HydrophobicContact CD2-CG2 4.07Å; L49-L76 HydrophobicContact CD1-CD1 3.67Å; L49-V99 HydrophobicContact CB-CG2 3.66Å
50Y90.6Very high88.7Confident77 Ų7737.5 Ų37.530%0.30220%0.195SC..Hα-helixtrans-65.2-45.6176.1174.8-107.7000112.1G46 E47 F48 I52 S53 S54 N98 T102G46-Y50 WeakPolarHBondContact O-CB 3.25Å; G46-Y50 PolarHBondContact O-N 3.2Å; E47-Y50 PolarHBondContact O-N 3.01Å; F48-Y50 VanDerWaalsContact C-N 3.28Å; F48-Y50 PolarHBondContact O-N 3.35Å; Y50-I52 PolarHBondContact O-N 3.07Å; Y50-S53 PolarHBondContact O-N 3.04Å; Y50-S54 WeakPolarHBondContact O-CB 2.92Å; Y50-S54 PolarHBondContact O-N 3.03Å; Y50-N98 HydrophobicContact CD2-CB 4.03Å; Y50-N98 WeakPolarHBondContact CD2-O 3.31Å; Y50-N98 WeakPolarHBondContact CE2-O 3.41Å; Y50-N98 HydrophobicContact CG-CB 4.27Å; Y50-T102 HydrophobicContact CD2-CG2 4.27Å; Y50-T102 HydrophobicContact CE2-CG2 3.86Å
51M89.7Confident87.3Confident14 Ų1432 Ų327%0.06918%0.175CC..Hα-helixtrans-58.5-49.5177.5-175.6-149.6-55.300111.5A5 C8 L11 E47 F48 S53 S54 E55A5-M51 HydrophobicContact CB-CE 3.3Å; A5-M51 WeakPolarHBondContact O-CE 3.36Å; C8-M51 HydrophobicContact CB-CE 3.71Å; C8-M51 HydrophobicContact CB-SD 4.09Å; L11-M51 HydrophobicContact CB-SD 3.99Å; L11-M51 HydrophobicContact CD1-SD 3.9Å; L11-M51 HydrophobicContact CD2-SD 3.9Å; L11-M51 HydrophobicContact CG-SD 4.14Å; E47-M51 WeakPolarHBondContact O-CB 3.15Å; E47-M51 PolarHBondContact O-N 2.66Å; F48-M51 HydrophobicContact CD1-CE 4.13Å; F48-M51 HydrophobicContact CE1-CE 4.34Å; F48-M51 PolarHBondContact O-N 2.97Å; M51-S53 VanDerWaalsContact C-N 3.31Å; M51-S53 PolarHBondContact O-N 3.37Å; M51-S54 PolarHBondContact O-N 3.35Å; M51-E55 WeakPolarHBondContact O-CG 3.38Å; M51-E55 PolarHBondContact O-N 3.43Å
52I88.6Confident85.7Confident0 Ų036.2 Ų36.20%020%0.204CC..Hα-helixtrans-58.7-48.2178.8-60.5165.5000109.4L11 V17 V21 F48 Y50 S54 E55 E56 W66 V68 L106L11-I52 HydrophobicContact CD2-CG1 4.23Å; V17-I52 HydrophobicContact CG1-CD1 3.89Å; V17-I52 HydrophobicContact CG1-CG1 4.04Å; V21-I52 HydrophobicContact CG2-CD1 4.05Å; F48-I52 VanDerWaalsContact O-CG1 3.24Å; F48-I52 WeakPolarHBondContact O-CG1 3.29Å; F48-I52 PolarHBondContact O-N 3.42Å; Y50-I52 PolarHBondContact O-N 3.07Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.45Å; I52-E55 PolarHBondContact O-N 3.13Å; I52-E56 WeakPolarHBondContact O-CG 3.1Å; I52-E56 PolarHBondContact O-N 3.48Å; I52-W66 HydrophobicContact CG2-CB 3.81Å; I52-W66 HydrophobicContact CG2-CD2 4.13Å; I52-W66 HydrophobicContact CG2-CE3 3.66Å; I52-W66 HydrophobicContact CG2-CG 4.23Å; I52-V68 HydrophobicContact CD1-CG2 3.98Å; I52-L106 HydrophobicContact CB-CD1 3.97Å; I52-L106 HydrophobicContact CG2-CD1 3.24Å
53S87.9Confident84.2Confident1 Ų141.9 Ų41.91%0.00723%0.23CC..Hα-helixtrans-63.1-37.6-178.8-54.90000112.8L49 Y50 M51 E57 T102 S104L49-S53 WeakPolarHBondContact O-CB 3.29Å; L49-S53 PolarHBondContact O-N 3.17Å; L49-S53 PolarHBondContact O-OG 3.43Å; Y50-S53 PolarHBondContact O-N 3.04Å; M51-S53 VanDerWaalsContact C-N 3.31Å; M51-S53 PolarHBondContact O-N 3.37Å; S53-E57 WeakPolarHBondContact O-CB 3.29Å; S53-E57 PolarHBondContact O-N 3.48Å; S53-E57 VanDerWaalsContact O-N 3.1Å; S53-T102 VanDerWaalsContact CB-OG1 3.23Å; S53-T102 WeakPolarHBondContact CB-OG1 3.45Å; S53-S104 WeakPolarHBondContact CB-OG 3.47Å
54S87.8Confident82.8Confident19 Ų1942.1 Ų42.113%0.13324%0.242CC..Hα-helixtrans-70.4-37.8177.1-175.60000112.1Y50 M51 I52 E57 K58Y50-S54 WeakPolarHBondContact O-CB 2.92Å; Y50-S54 PolarHBondContact O-N 3.03Å; M51-S54 PolarHBondContact O-N 3.35Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.45Å; S54-E57 PolarHBondContact O-N 3.26Å; S54-K58 VanDerWaalsContact O-CG 3.27Å; S54-K58 WeakPolarHBondContact O-CG 3.42Å; S54-K58 PolarHBondContact O-N 3.49Å
55E86.5Confident81.8Confident8 Ų844.1 Ų44.14%0.03725%0.251CS..Hα-helixtrans-71.8-36.9176.9-73.5-70.412100112.3L11 M51 I52 K58 R59 W66L11-E55 HydrophobicContact CB-CB 4.39Å; L11-E55 HydrophobicContact CB-CG 3.76Å; L11-E55 PolarHBondContact N-OE2 3.4Å; L11-E55 VanDerWaalsContact N-OE2 3.17Å; M51-E55 WeakPolarHBondContact O-CG 3.38Å; M51-E55 PolarHBondContact O-N 3.43Å; I52-E55 PolarHBondContact O-N 3.13Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-K58 WeakPolarHBondContact OE1-CD 3.16Å; E55-K58 IonicContact OE1-NZ 3.77Å; E55-K58 PolarHBondContact OE1-NZ 3Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.33Å; E55-R59 PolarHBondContact O-N 3Å; E55-R59 VanDerWaalsContact O-N 3.14Å; E55-R59 IonicContact OE2-CZ 3.79Å; E55-R59 IonicContact OE2-NE 2.76Å; E55-R59 IonicContact OE2-NH2 4Å; E55-R59 PolarHBondContact OE2-NH2 3.38Å; E55-R59 VanDerWaalsContact OE2-NH2 3.1Å; E55-W66 HydrophobicContact CB-CH2 3.97Å; E55-W66 HydrophobicContact CB-CZ3 4.03Å
56E85.6Confident81.4Confident6 Ų644.5 Ų44.53%0.02825%0.253CS..Hα-helixtrans-60.8-46170.9-74.4-169.7159.800111.6I52 K58 R59 G60 W66 L106I52-E56 WeakPolarHBondContact O-CG 3.1Å; I52-E56 PolarHBondContact O-N 3.48Å; E56-K58 PolarHBondContact O-N 3.41Å; E56-R59 PolarHBondContact O-N 2.72Å; E56-G60 PolarHBondContact O-N 2.73Å; E56-G60 VanDerWaalsContact O-N 3.08Å; E56-W66 HydrophobicContact CG-CE3 4.07Å; E56-W66 HydrophobicContact CG-CZ3 3.98Å; E56-L106 VanDerWaalsContact OE2-CD1 3.3Å; E56-L106 WeakPolarHBondContact OE2-CD1 3.29Å; E56-L106 WeakPolarHBondContact OE2-CG 3.34Å
57E84Confident81.1Confident83 Ų8350.8 Ų50.839%0.38828%0.28SS..Hα-helixtrans-61.2-44.4177.6-179.1175-137.700112S53 S54 R59 G60 T102 V103S53-E57 WeakPolarHBondContact O-CB 3.29Å; S53-E57 PolarHBondContact O-N 3.48Å; S53-E57 VanDerWaalsContact O-N 3.1Å; S54-E57 PolarHBondContact O-N 3.26Å; E57-R59 VanDerWaalsContact C-N 3.3Å; E57-R59 PolarHBondContact O-N 3.45Å; E57-G60 PolarHBondContact O-N 3.23Å; E57-T102 WeakPolarHBondContact OE2-CA 3.21Å; E57-T102 WeakPolarHBondContact OE2-CB 3.43Å; E57-T102 WeakPolarHBondContact OE2-CG2 3.27Å; E57-V103 PolarHBondContact OE1-N 3.4Å
58K85.1Confident80.9Confident131 Ų13149.8 Ų49.857%0.5728%0.276SS*.Hα-helixtrans-63.5-33.5178.3-73.8174-161.4165.90113.1S9 S54 E55 E56S9-K58 PolarHBondContact O-NZ 3.22Å; S54-K58 VanDerWaalsContact O-CG 3.27Å; S54-K58 WeakPolarHBondContact O-CG 3.42Å; S54-K58 PolarHBondContact O-N 3.49Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-K58 WeakPolarHBondContact OE1-CD 3.16Å; E55-K58 IonicContact OE1-NZ 3.77Å; E55-K58 PolarHBondContact OE1-NZ 3Å; E56-K58 PolarHBondContact O-N 3.41Å
59R81.7Confident80.7Confident70 Ų7050 Ų5026%0.26428%0.279SS..Hα-helixtrans-87.7-16.6-176.7-67176.8-169-158.41.2113.3L11 E13 E55 E56 E57 S61L11-R59 PolarHBondContact O-NH2 3.36Å; E13-R59 IonicContact OE1-NH1 3.95Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.33Å; E55-R59 PolarHBondContact O-N 3Å; E55-R59 VanDerWaalsContact O-N 3.14Å; E55-R59 IonicContact OE2-CZ 3.79Å; E55-R59 IonicContact OE2-NE 2.76Å; E55-R59 IonicContact OE2-NH2 4Å; E55-R59 PolarHBondContact OE2-NH2 3.38Å; E55-R59 VanDerWaalsContact OE2-NH2 3.1Å; E56-R59 PolarHBondContact O-N 2.72Å; E57-R59 VanDerWaalsContact C-N 3.3Å; E57-R59 PolarHBondContact O-N 3.45Å; R59-S61 VanDerWaalsContact CB-OG 3.24Å; R59-S61 WeakPolarHBondContact CB-OG 3.4Å; R59-S61 PolarHBondContact O-N 2.87Å
60G72.1Confident80.6Confident71 Ų7153.2 Ų53.273%0.73231%0.306SS*.THydrogen-bonded Turntrans60.924.1-173.400000112.8E56 E57E56-G60 PolarHBondContact O-N 2.73Å; E56-G60 VanDerWaalsContact O-N 3.08Å; E57-G60 PolarHBondContact O-N 3.23Å
61S61.3Low80.6Confident39 Ų3950.5 Ų50.527%0.27330%0.3SS..PPolyproline II helixtrans-78.9155.1-171.9-66.70000112.5R59 L65R59-S61 VanDerWaalsContact CB-OG 3.24Å; R59-S61 WeakPolarHBondContact CB-OG 3.4Å; R59-S61 PolarHBondContact O-N 2.87Å; S61-L65 WeakPolarHBondContact OG-CD1 3.22Å
62P58.6Low80.6Confident109 Ų10949.9 Ų49.971%0.70830%0.296SS*.PPolyproline II helixtrans-61.6153.3174.426.4-33.9000111.6G64P62-G64 PolarHBondContact O-N 3.3Å
63E62Low80.7Confident120 Ų12051.5 Ų51.556%0.56130%0.303SS*.THydrogen-bonded Turntrans-53.4130.4179.8-53-174.3152.800110.9G105 R108E63-G105 WeakPolarHBondContact OE1-CA 3.49Å; E63-R108 IonicContact OE1-NH1 3.77Å; E63-R108 PolarHBondContact OE1-NH1 3.44Å
64G63.3Low80.8Confident58 Ų5854.7 Ų54.760%0.59832%0.322SS*.THydrogen-bonded Turntrans102.223.9169.500000116.9P62 W66P62-G64 PolarHBondContact O-N 3.3Å; G64-W66 PolarHBondContact O-N 2.74Å
65L72.8Confident80.9Confident64 Ų6453.9 Ų53.934%0.33532%0.317SS..SBendtrans-57.8-38.7170.2-81.6177.1000112.1S61S61-L65 WeakPolarHBondContact OG-CD1 3.22Å
66W84.3Confident81.2Confident8 Ų853.5 Ų53.53%0.0332%0.315CS..SBendtrans-122.2129.8173.5-61.8-82.3000109.7L11 I52 E55 E56 G64 V68L11-W66 HydrophobicContact CB-CH2 4.45Å; L11-W66 HydrophobicContact CB-CZ2 4.13Å; L11-W66 HydrophobicContact CD2-CD2 3.95Å; L11-W66 HydrophobicContact CD2-CE3 4.46Å; L11-W66 HydrophobicContact CD2-CG 4.42Å; L11-W66 HydrophobicContact CD2-CH2 4.22Å; L11-W66 HydrophobicContact CD2-CZ2 3.71Å; L11-W66 HydrophobicContact CG-CH2 4.41Å; L11-W66 HydrophobicContact CG-CZ2 3.71Å; L11-W66 WeakPolarHBondContact O-CZ2 3.22Å; I52-W66 HydrophobicContact CG2-CB 3.81Å; I52-W66 HydrophobicContact CG2-CD2 4.13Å; I52-W66 HydrophobicContact CG2-CE3 3.66Å; I52-W66 HydrophobicContact CG2-CG 4.23Å; E55-W66 HydrophobicContact CB-CH2 3.97Å; E55-W66 HydrophobicContact CB-CZ3 4.03Å; E56-W66 HydrophobicContact CG-CE3 4.07Å; E56-W66 HydrophobicContact CG-CZ3 3.98Å; G64-W66 PolarHBondContact O-N 2.74Å; W66-V68 PolarHBondContact O-N 3.11Å
67F85.1Confident81.5Confident135 Ų13554.7 Ų54.759%0.59232%0.321SS*.  trans-69.7127.4177.5176.2-104.1000110.6S18 P69S18-F67 VanDerWaalsContact CB-O 3.24Å; S18-F67 WeakPolarHBondContact CB-O 3.15Å; S18-F67 PolarHBondContact OG-N 3.27Å; S18-F67 PolarHBondContact OG-O 3.45Å; F67-P69 HydrophobicContact CE1-CB 3.94Å; F67-P69 HydrophobicContact CZ-CB 4.24Å
68V88.2Confident81.8Confident17 Ų1755.4 Ų55.410%0.10332%0.321CS..  trans-117.7118.9170.6177.50000109.1V21 L49 I52 W66 A72 Y73 L106V21-V68 HydrophobicContact CG1-CG1 4.23Å; L49-V68 HydrophobicContact CD2-CB 4.46Å; L49-V68 HydrophobicContact CD2-CG1 3.49Å; L49-V68 VanDerWaalsContact CD2-CG1 3.49Å; L49-V68 HydrophobicContact CD2-CG2 4.07Å; I52-V68 HydrophobicContact CD1-CG2 3.98Å; W66-V68 PolarHBondContact O-N 3.11Å; V68-A72 HydrophobicContact CG1-CB 4.16Å; V68-Y73 HydrophobicContact CB-CE2 4.18Å; V68-Y73 HydrophobicContact CG1-CD2 4.32Å; V68-Y73 HydrophobicContact CG1-CE2 3.52Å; V68-L106 HydrophobicContact CB-CD2 3.88Å; V68-L106 HydrophobicContact CG2-CD1 4.33Å; V68-L106 HydrophobicContact CG2-CD2 3.6Å
69P89.6Confident82.1Confident16 Ų1649.2 Ų49.210%0.10429%0.293CS..  trans-70.1143.5-178.126.8-33.1000112.1V21 A25 F67 A71 A72V21-P69 HydrophobicContact CG1-CG 4.41Å; A25-P69 HydrophobicContact CB-CG 4.22Å; F67-P69 HydrophobicContact CE1-CB 3.94Å; F67-P69 HydrophobicContact CZ-CB 4.24Å; P69-A71 PolarHBondContact O-N 2.94Å; P69-A72 HydrophobicContact CG-CB 4.47Å; P69-A72 WeakPolarHBondContact O-CB 3.39Å; P69-A72 PolarHBondContact O-N 3.4Å
70A88.2Confident82.6Confident72 Ų7245.9 Ų45.960%0.59528%0.281SS*.Hα-helixtrans-55-26.9175.400000113.6A72 Y73 T74A70-A72 PolarHBondContact O-N 2.69Å; A70-Y73 PolarHBondContact O-N 3.46Å; A70-T74 WeakPolarHBondContact O-CB 3.46Å; A70-T74 PolarHBondContact O-N 2.74Å; A70-T74 PolarHBondContact O-OG1 2.84Å
71A89.7Confident83.4Confident20 Ų2051.1 Ų51.117%0.16528%0.279CS..Hα-helixtrans-60.8-31.1174.900000112.9A25 P69 G75A25-A71 HydrophobicContact CB-CB 4.12Å; P69-A71 PolarHBondContact O-N 2.94Å; A71-G75 PolarHBondContact O-N 3.48Å
72A90.8Very high84.5Confident0 Ų052.3 Ų52.30%028%0.28CS..Hα-helixtrans-65.9-49.7177.200000111V21 A25 L45 V68 P69 A70 G75 L76V21-A72 HydrophobicContact CG1-CB 4.26Å; A25-A72 HydrophobicContact CB-CB 3.91Å; L45-A72 HydrophobicContact CD1-CB 4.19Å; V68-A72 HydrophobicContact CG1-CB 4.16Å; P69-A72 HydrophobicContact CG-CB 4.47Å; P69-A72 WeakPolarHBondContact O-CB 3.39Å; P69-A72 PolarHBondContact O-N 3.4Å; A70-A72 PolarHBondContact O-N 2.69Å; A72-G75 PolarHBondContact O-N 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.81Å
73Y90.3Very high85.5Confident35 Ų3549 Ų4914%0.13727%0.266CS..Hα-helixtrans-63.6-43.2176.8-60.3-70.3000112.2V68 A70 G75 L76 M77 L106 H109 L110V68-Y73 HydrophobicContact CB-CE2 4.18Å; V68-Y73 HydrophobicContact CG1-CD2 4.32Å; V68-Y73 HydrophobicContact CG1-CE2 3.52Å; A70-Y73 PolarHBondContact O-N 3.46Å; Y73-G75 VanDerWaalsContact C-N 3.34Å; Y73-G75 PolarHBondContact O-N 3.34Å; Y73-L76 PolarHBondContact O-N 2.92Å; Y73-M77 PolarHBondContact O-N 2.84Å; Y73-L106 WeakPolarHBondContact OH-CD2 3.38Å; Y73-H109 HydrophobicContact CE1-CB 4.28Å; Y73-L110 HydrophobicContact CD1-CD2 3.56Å; Y73-L110 HydrophobicContact CD1-CG 3.89Å; Y73-L110 HydrophobicContact CE1-CD2 4.09Å; Y73-L110 HydrophobicContact CE1-CG 3.9Å
74T90.1Very high86.3Confident67 Ų6751.1 Ų51.141%0.41128%0.281SS..Hα-helixtrans-63.2-42.4176.7-54.70000110.9A70 L76 M77 R78A70-T74 WeakPolarHBondContact O-CB 3.46Å; A70-T74 PolarHBondContact O-N 2.74Å; A70-T74 PolarHBondContact O-OG1 2.84Å; T74-L76 PolarHBondContact O-N 3.17Å; T74-M77 PolarHBondContact O-N 3.03Å; T74-R78 HydrophobicContact CG2-CG 4.32Å; T74-R78 WeakPolarHBondContact O-CB 3.41Å; T74-R78 VanDerWaalsContact O-CG 3.27Å; T74-R78 WeakPolarHBondContact O-CG 3.29Å; T74-R78 PolarHBondContact O-N 3.38Å
75G90.2Very high87.6Confident3 Ų350 Ų503%0.03126%0.261CS..Hα-helixtrans-62.4-40.5176.900000112.9A71 A72 Y73 S79A71-G75 PolarHBondContact O-N 3.48Å; A72-G75 PolarHBondContact O-N 3.29Å; Y73-G75 VanDerWaalsContact C-N 3.34Å; Y73-G75 PolarHBondContact O-N 3.34Å; G75-S79 VanDerWaalsContact O-CB 3.28Å; G75-S79 WeakPolarHBondContact O-CB 3.46Å; G75-S79 PolarHBondContact O-N 3.06Å; G75-S79 PolarHBondContact O-OG 3.49Å
76L91.6Very high88.4Confident0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-63.6-49.7172.7-73.2175.2000111.7L42 L49 A72 Y73 T74 R78 S79 L80 A95 L110L42-L76 HydrophobicContact CD2-CD2 3.8Å; L49-L76 HydrophobicContact CD1-CD1 3.67Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.81Å; Y73-L76 PolarHBondContact O-N 2.92Å; T74-L76 PolarHBondContact O-N 3.17Å; L76-R78 PolarHBondContact O-N 2.9Å; L76-S79 PolarHBondContact O-N 3.47Å; L76-S79 VanDerWaalsContact O-N 3.15Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.31Å; L76-L80 VanDerWaalsContact O-N 3.07Å; L76-A95 HydrophobicContact CD2-CB 3.93Å; L76-L110 HydrophobicContact CD1-CD2 4.45Å
77M91.8Very high88.9Confident31 Ų3151.6 Ų51.615%0.15328%0.278CS..Hα-helixtrans-58.7-48.3179.2-173.9-74.5-72.200111.3Y73 T74 S79 L80 R81 M115Y73-M77 PolarHBondContact O-N 2.84Å; T74-M77 PolarHBondContact O-N 3.03Å; M77-S79 VanDerWaalsContact C-N 3.27Å; M77-S79 PolarHBondContact O-N 3.21Å; M77-L80 WeakPolarHBondContact O-CB 3.48Å; M77-L80 PolarHBondContact O-N 2.97Å; M77-R81 PolarHBondContact O-N 3.42Å; M77-R81 VanDerWaalsContact O-N 3.1Å; M77-R81 HydrophobicContact SD-CB 4.34Å; M77-M115 HydrophobicContact CB-CE 3.87Å; M77-M115 HydrophobicContact CG-CE 4.33Å
78R90.9Very high89.2Confident98 Ų9845.2 Ų45.237%0.3725%0.251SS..Hα-helixtrans-63.4-35.3177.8-67.2-177.289.2141.813.8112L32 T74 L76 L80 R81 E82L32-R78 HydrophobicContact CD2-CB 4.07Å; T74-R78 HydrophobicContact CG2-CG 4.32Å; T74-R78 WeakPolarHBondContact O-CB 3.41Å; T74-R78 VanDerWaalsContact O-CG 3.27Å; T74-R78 WeakPolarHBondContact O-CG 3.29Å; T74-R78 PolarHBondContact O-N 3.38Å; L76-R78 PolarHBondContact O-N 2.9Å; R78-L80 PolarHBondContact O-N 3.09Å; R78-R81 PolarHBondContact O-N 3.28Å; R78-E82 HydrophobicContact CB-CG 4.49Å; R78-E82 IonicContact CZ-OE1 2.87Å; R78-E82 VanDerWaalsContact CZ-OE1 3.29Å; R78-E82 IonicContact NE-OE1 3.59Å; R78-E82 PolarHBondContact NE-OE1 3.23Å; R78-E82 IonicContact NE-OE2 3.43Å; R78-E82 IonicContact NH2-OE1 2.81Å; R78-E82 PolarHBondContact NH2-OE1 3.42Å; R78-E82 VanDerWaalsContact O-CB 3.27Å; R78-E82 WeakPolarHBondContact O-CB 3.33Å; R78-E82 PolarHBondContact O-N 3.14Å
79S92.3Very high89.5Confident0 Ų045.3 Ų45.30%025%0.25CC..Hα-helixtrans-70.2-18.7175.5-59.30000113.7G75 L76 M77 H89G75-S79 VanDerWaalsContact O-CB 3.28Å; G75-S79 WeakPolarHBondContact O-CB 3.46Å; G75-S79 PolarHBondContact O-N 3.06Å; G75-S79 PolarHBondContact O-OG 3.49Å; L76-S79 PolarHBondContact O-N 3.47Å; L76-S79 VanDerWaalsContact O-N 3.15Å; M77-S79 VanDerWaalsContact C-N 3.27Å; M77-S79 PolarHBondContact O-N 3.21Å; S79-H89 PolarHBondContact O-CD2 3.18Å
80L91.6Very high89.8Confident0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-83.6-35170.5-68.7166.7000112.6L76 M77 R78 A92 A93 V96 M115 A118 L119 L122L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.31Å; L76-L80 VanDerWaalsContact O-N 3.07Å; M77-L80 WeakPolarHBondContact O-CB 3.48Å; M77-L80 PolarHBondContact O-N 2.97Å; R78-L80 PolarHBondContact O-N 3.09Å; L80-A92 HydrophobicContact CD2-CB 3.78Å; L80-A92 HydrophobicContact CG-CB 3.95Å; L80-A93 HydrophobicContact CD2-CB 3.84Å; L80-V96 HydrophobicContact CD1-CG2 4.21Å; L80-M115 HydrophobicContact CD1-CE 4.42Å; L80-M115 HydrophobicContact CD1-SD 3.25Å; L80-M115 WeakPolarHBondContact CD1-SD 3.5Å; L80-A118 HydrophobicContact CB-CB 4.21Å; L80-L119 HydrophobicContact CD1-CD2 4.09Å; L80-L119 HydrophobicContact CD1-CG 4.45Å; L80-L119 HydrophobicContact CD2-CD2 4.02Å; L80-L122 HydrophobicContact CB-CD1 4.19Å; L80-L122 HydrophobicContact CD2-CD1 3.55Å; L80-L122 HydrophobicContact CG-CD1 4.5Å
81R88.5Confident90.1Very high181 Ų18146.6 Ų46.668%0.68324%0.242SC*.Hα-helixtrans-92.7-37.1-172.3-173.6179177.8-174.40.5113.9M77 R78M77-R81 PolarHBondContact O-N 3.42Å; M77-R81 VanDerWaalsContact O-N 3.1Å; M77-R81 HydrophobicContact SD-CB 4.34Å; R78-R81 PolarHBondContact O-N 3.28Å
82E84.4Confident90.3Very high65 Ų6545.6 Ų45.630%0.30424%0.235SC..SBendtrans-100.1135.8-169.7-58.3177.3177.900111.9R78R78-E82 HydrophobicContact CB-CG 4.49Å; R78-E82 IonicContact CZ-OE1 2.87Å; R78-E82 VanDerWaalsContact CZ-OE1 3.29Å; R78-E82 IonicContact NE-OE1 3.59Å; R78-E82 PolarHBondContact NE-OE1 3.23Å; R78-E82 IonicContact NE-OE2 3.43Å; R78-E82 IonicContact NH2-OE1 2.81Å; R78-E82 PolarHBondContact NH2-OE1 3.42Å; R78-E82 VanDerWaalsContact O-CB 3.27Å; R78-E82 WeakPolarHBondContact O-CB 3.33Å; R78-E82 PolarHBondContact O-N 3.14Å
83G80.4Confident90.6Very high40 Ų4045.6 Ų45.641%0.41224%0.235SC..SBendtrans88.9168.8175.800000114.2H89G83-H89 PolarHBondContact O-CE1 3.15Å; G83-H89 PolarHBondContact O-NE2 3.3Å
84D78.5Confident90.8Very high164 Ų16447.9 Ų47.988%0.87725%0.245SC*.SBendtrans-113.714.9-173.9-60.4-36.3000113.4A86D84-A86 PolarHBondContact O-N 3.17Å
85D89.7Confident91Very high34 Ų3445 Ų4518%0.18223%0.228CC..  trans-86.8103.7179.8-176.53.7000111.5N35 Q39 V87 V88 H89N35-D85 HydrophobicContact CB-CB 4.3Å; Q39-D85 PolarHBondContact NE2-OD2 3.1Å; D85-V87 PolarHBondContact O-N 3.4Å; D85-V87 VanDerWaalsContact O-N 3.13Å; D85-V87 WeakPolarHBondContact OD1-CB 3.41Å; D85-V87 PolarHBondContact OD1-N 3.23Å; D85-V88 HydrophobicContact CB-CB 4.15Å; D85-V88 HydrophobicContact CB-CG2 4.13Å; D85-V88 PolarHBondContact O-N 3.05Å; D85-V88 VanDerWaalsContact O-N 3.09Å; D85-V88 VanDerWaalsContact OD2-CG2 3.28Å; D85-V88 WeakPolarHBondContact OD2-CG2 2.94Å; D85-H89 PolarHBondContact O-N 2.99Å
86A90.6Very high91.2Very high39 Ų3944.8 Ų44.832%0.32223%0.226SC..Hα-helixtrans-55.7-29.3178.200000113.4D84 H90 A128 V131D84-A86 PolarHBondContact O-N 3.17Å; A86-H90 WeakPolarHBondContact O-CB 3.49Å; A86-H90 PolarHBondContact O-N 3.46Å; A86-A128 HydrophobicContact CB-CB 4.27Å; A86-V131 HydrophobicContact CB-CG2 4.25Å; A86-V131 WeakPolarHBondContact O-CG2 3.49Å
87V93.4Very high91.3Very high67 Ų6745.5 Ų45.541%0.40623%0.229SC..Hα-helixtrans-70.6-44.9178.4-1790000110.5Q39 D85 H90 M91Q39-V87 HydrophobicContact CG-CG1 4.05Å; D85-V87 PolarHBondContact O-N 3.4Å; D85-V87 VanDerWaalsContact O-N 3.13Å; D85-V87 WeakPolarHBondContact OD1-CB 3.41Å; D85-V87 PolarHBondContact OD1-N 3.23Å; V87-H90 PolarHBondContact O-N 2.73Å; V87-M91 HydrophobicContact CG1-CE 3.54Å; V87-M91 HydrophobicContact CG1-SD 4.14Å; V87-M91 VanDerWaalsContact O-CG 3.3Å; V87-M91 WeakPolarHBondContact O-CG 3.05Å; V87-M91 PolarHBondContact O-N 2.99Å
88V93.3Very high91.4Very high1 Ų145.7 Ų45.71%0.00623%0.231CC..Hα-helixtrans-63.1-45.11761690000110.5N35 K38 Q39 L42 D85 H90 M91 A92N35-V88 HydrophobicContact CB-CG2 4.23Å; K38-V88 HydrophobicContact CB-CG1 4.14Å; K38-V88 HydrophobicContact CB-CG2 3.91Å; K38-V88 HydrophobicContact CD-CG1 3.72Å; K38-V88 HydrophobicContact CD-CG2 4.45Å; Q39-V88 HydrophobicContact CG-CG2 3.72Å; L42-V88 HydrophobicContact CD1-CG1 3.84Å; D85-V88 HydrophobicContact CB-CB 4.15Å; D85-V88 HydrophobicContact CB-CG2 4.13Å; D85-V88 PolarHBondContact O-N 3.05Å; D85-V88 VanDerWaalsContact O-N 3.09Å; D85-V88 VanDerWaalsContact OD2-CG2 3.28Å; D85-V88 WeakPolarHBondContact OD2-CG2 2.94Å; V88-H90 VanDerWaalsContact C-N 3.33Å; V88-H90 PolarHBondContact O-N 3.41Å; V88-M91 PolarHBondContact O-N 3.36Å; V88-A92 WeakPolarHBondContact O-CB 3.36Å; V88-A92 PolarHBondContact O-N 3.15Å
89H94.5Very high91.4Very high18 Ų1841.1 Ų41.18%0.08321%0.214CC..Hα-helixtrans-59.3-43.6175.5-66.9163.4000111.9S79 G83 D85 A93 L122 V131S79-H89 PolarHBondContact O-CD2 3.18Å; G83-H89 PolarHBondContact O-CE1 3.15Å; G83-H89 PolarHBondContact O-NE2 3.3Å; D85-H89 PolarHBondContact O-N 2.99Å; H89-A93 VanDerWaalsContact O-CB 3.22Å; H89-A93 WeakPolarHBondContact O-CB 3.42Å; H89-A93 PolarHBondContact O-N 3.27Å; H89-L122 HydrophobicContact CB-CD1 4.2Å; H89-L122 HydrophobicContact CB-CD2 4.02Å; H89-L122 WeakPolarHBondContact ND1-CD2 3.49Å; H89-V131 HydrophobicContact CB-CG1 4.15Å
90H94.9Very high91.4Very high65 Ų6541.2 Ų41.230%0.30122%0.215SC..Hα-helixtrans-62.9-47.4177.3-172.461.5000111.8A86 V87 V88 A93 K94 A130 V131 T134A86-H90 WeakPolarHBondContact O-CB 3.49Å; A86-H90 PolarHBondContact O-N 3.46Å; V87-H90 PolarHBondContact O-N 2.73Å; V88-H90 VanDerWaalsContact C-N 3.33Å; V88-H90 PolarHBondContact O-N 3.41Å; H90-A93 PolarHBondContact O-N 3.38Å; H90-K94 WeakPolarHBondContact O-CB 3.38Å; H90-K94 PolarHBondContact O-N 3.47Å; H90-A130 PolarHBondContact CE1-O 3.08Å; H90-A130 PolarHBondContact ND1-O 3.2Å; H90-V131 HydrophobicContact CB-CG2 3.91Å; H90-T134 PolarHBondContact CE1-OG1 3.41Å; H90-T134 PolarHBondContact ND1-OG1 3.24Å
91M94.7Very high91.2Very high50 Ų5043.3 Ų43.325%0.24623%0.23CC..Hα-helixtrans-62.2-44.5179.6-71.6173.6178.200112.1Q39 L42 P43 V87 V88 K94 A95Q39-M91 HydrophobicContact CB-CE 4.16Å; Q39-M91 HydrophobicContact CB-SD 3.96Å; Q39-M91 HydrophobicContact CG-CE 4.32Å; Q39-M91 HydrophobicContact CG-SD 4.07Å; L42-M91 HydrophobicContact CB-CB 4.22Å; L42-M91 HydrophobicContact CD1-CB 4.33Å; P43-M91 HydrophobicContact CG-CG 4.44Å; P43-M91 HydrophobicContact CG-SD 4.01Å; V87-M91 HydrophobicContact CG1-CE 3.54Å; V87-M91 HydrophobicContact CG1-SD 4.14Å; V87-M91 VanDerWaalsContact O-CG 3.3Å; V87-M91 WeakPolarHBondContact O-CG 3.05Å; V87-M91 PolarHBondContact O-N 2.99Å; V88-M91 PolarHBondContact O-N 3.36Å; M91-K94 PolarHBondContact O-N 3.46Å; M91-A95 PolarHBondContact O-N 2.83Å
92A94.8Very high91.1Very high0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-64.5-45.7176.700000111.3L42 L80 V88 K94 A95 V96L42-A92 HydrophobicContact CD1-CB 4.21Å; L42-A92 HydrophobicContact CD2-CB 4.4Å; L80-A92 HydrophobicContact CD2-CB 3.78Å; L80-A92 HydrophobicContact CG-CB 3.95Å; V88-A92 WeakPolarHBondContact O-CB 3.36Å; V88-A92 PolarHBondContact O-N 3.15Å; A92-K94 VanDerWaalsContact C-N 3.26Å; A92-K94 PolarHBondContact O-N 3.32Å; A92-A95 PolarHBondContact O-N 3.04Å; A92-V96 WeakPolarHBondContact O-CG2 3.24Å; A92-V96 PolarHBondContact O-N 3.16Å; A92-V96 VanDerWaalsContact O-N 3.12Å
93A95.8Very high90.8Very high0 Ų035.7 Ų35.70%021%0.207CC..Hα-helixtrans-62.6-36.9177.700000111.4L80 H89 H90 V96 E97 L119 T134 S138L80-A93 HydrophobicContact CD2-CB 3.84Å; H89-A93 VanDerWaalsContact O-CB 3.22Å; H89-A93 WeakPolarHBondContact O-CB 3.42Å; H89-A93 PolarHBondContact O-N 3.27Å; H90-A93 PolarHBondContact O-N 3.38Å; A93-V96 PolarHBondContact O-N 2.83Å; A93-E97 WeakPolarHBondContact O-CB 3.37Å; A93-E97 PolarHBondContact O-N 3.44Å; A93-L119 HydrophobicContact CB-CD2 4.28Å; A93-T134 HydrophobicContact CB-CG2 3.86Å; A93-S138 PolarHBondContact O-OG 3.17Å
94K95.2Very high90.7Very high82 Ų8234.1 Ų34.136%0.35719%0.19SC..Hα-helixtrans-68.8-40.4178.3-170.462178.2-179.70112.6H90 M91 A92 V96 E97 N98 T134H90-K94 WeakPolarHBondContact O-CB 3.38Å; H90-K94 PolarHBondContact O-N 3.47Å; M91-K94 PolarHBondContact O-N 3.46Å; A92-K94 VanDerWaalsContact C-N 3.26Å; A92-K94 PolarHBondContact O-N 3.32Å; K94-V96 VanDerWaalsContact C-N 3.33Å; K94-V96 PolarHBondContact O-N 3.49Å; K94-E97 HydrophobicContact CD-CB 4.45Å; K94-E97 VanDerWaalsContact CD-OE2 3.23Å; K94-E97 WeakPolarHBondContact CD-OE2 3.43Å; K94-E97 IonicContact NZ-OE2 3.08Å; K94-E97 PolarHBondContact NZ-OE2 2.93Å; K94-E97 WeakPolarHBondContact O-CB 3.24Å; K94-E97 PolarHBondContact O-N 2.95Å; K94-N98 PolarHBondContact O-N 3.13Å; K94-T134 HydrophobicContact CB-CG2 4.14Å; K94-T134 HydrophobicContact CD-CG2 4.1Å
95A93.9Very high90.3Very high6 Ų626.6 Ų26.65%0.0515%0.151CC..Hα-helixtrans-58.3-47.2172.500000110.8L76 M91 A92 E97 N98 V99L76-A95 HydrophobicContact CD2-CB 3.93Å; M91-A95 PolarHBondContact O-N 2.83Å; A92-A95 PolarHBondContact O-N 3.04Å; A95-E97 VanDerWaalsContact C-N 3.35Å; A95-E97 PolarHBondContact O-N 3.33Å; A95-N98 PolarHBondContact O-N 3.28Å; A95-V99 VanDerWaalsContact O-CG2 3.32Å; A95-V99 WeakPolarHBondContact O-CG2 3.26Å; A95-V99 PolarHBondContact O-N 3.03Å
96V94.8Very high89.6Confident0 Ų025.5 Ų25.50%015%0.145CC..Hα-helixtrans-63.2-40.2174.9178.40000111.6L80 A92 A93 K94 N98 S100 L110 M115 L119 L142L80-V96 HydrophobicContact CD1-CG2 4.21Å; A92-V96 WeakPolarHBondContact O-CG2 3.24Å; A92-V96 PolarHBondContact O-N 3.16Å; A92-V96 VanDerWaalsContact O-N 3.12Å; A93-V96 PolarHBondContact O-N 2.83Å; K94-V96 VanDerWaalsContact C-N 3.33Å; K94-V96 PolarHBondContact O-N 3.49Å; V96-N98 VanDerWaalsContact C-N 3.32Å; V96-N98 PolarHBondContact O-N 3.26Å; V96-S100 VanDerWaalsContact O-CB 3.23Å; V96-S100 WeakPolarHBondContact O-CB 3.43Å; V96-S100 PolarHBondContact O-N 3.21Å; V96-S100 PolarHBondContact O-OG 2.83Å; V96-L110 HydrophobicContact CG2-CD2 4.48Å; V96-M115 HydrophobicContact CG2-SD 4.16Å; V96-L119 HydrophobicContact CG1-CD1 4.38Å; V96-L142 HydrophobicContact CG1-CD1 3.97Å; V96-L142 HydrophobicContact CG1-CD2 4.44Å; V96-L142 HydrophobicContact CG1-CG 4.37Å
97E94.3Very high89.1Confident14 Ų1423.7 Ų23.77%0.06513%0.13CC..Hα-helixtrans-58.5-43.8178-158.1-163.6170.400112.2A93 K94 A95 S100 S101 T134 S137 S138 R141A93-E97 WeakPolarHBondContact O-CB 3.37Å; A93-E97 PolarHBondContact O-N 3.44Å; K94-E97 HydrophobicContact CD-CB 4.45Å; K94-E97 VanDerWaalsContact CD-OE2 3.23Å; K94-E97 WeakPolarHBondContact CD-OE2 3.43Å; K94-E97 IonicContact NZ-OE2 3.08Å; K94-E97 PolarHBondContact NZ-OE2 2.93Å; K94-E97 WeakPolarHBondContact O-CB 3.24Å; K94-E97 PolarHBondContact O-N 2.95Å; A95-E97 VanDerWaalsContact C-N 3.35Å; A95-E97 PolarHBondContact O-N 3.33Å; E97-S100 PolarHBondContact O-OG 3.26Å; E97-S100 VanDerWaalsContact O-OG 3.14Å; E97-S101 PolarHBondContact O-N 3.42Å; E97-T134 HydrophobicContact CB-CG2 4.38Å; E97-S137 VanDerWaalsContact CD-OG 3.32Å; E97-S137 VanDerWaalsContact OE1-CB 3.32Å; E97-S137 WeakPolarHBondContact OE1-CB 3.45Å; E97-S137 PolarHBondContact OE1-OG 3.29Å; E97-S138 VanDerWaalsContact CA-OG 3.27Å; E97-S138 WeakPolarHBondContact CA-OG 3.25Å; E97-S138 WeakPolarHBondContact CB-OG 3.37Å; E97-S138 PolarHBondContact N-OG 3.45Å; E97-R141 WeakPolarHBondContact O-CD 3.31Å; E97-R141 PolarHBondContact O-NH1 3.34Å; E97-R141 IonicContact OE1-CZ 3.16Å; E97-R141 IonicContact OE1-NE 3.88Å; E97-R141 IonicContact OE1-NH2 3.56Å; E97-R141 PolarHBondContact OE1-NH2 3.21Å
98N92.6Very high88.5Confident35 Ų3526.3 Ų26.319%0.18713%0.133CC..Hα-helixtrans-70.7-51.4-178.6-70.7-5.2000110.1Y50 K94 A95 V96 S100 S101Y50-N98 HydrophobicContact CD2-CB 4.03Å; Y50-N98 WeakPolarHBondContact CD2-O 3.31Å; Y50-N98 WeakPolarHBondContact CE2-O 3.41Å; Y50-N98 HydrophobicContact CG-CB 4.27Å; K94-N98 PolarHBondContact O-N 3.13Å; A95-N98 PolarHBondContact O-N 3.28Å; V96-N98 VanDerWaalsContact C-N 3.32Å; V96-N98 PolarHBondContact O-N 3.26Å; N98-S100 VanDerWaalsContact C-N 3.3Å; N98-S100 PolarHBondContact O-N 2.95Å; N98-S101 VanDerWaalsContact O-CB 3.27Å; N98-S101 WeakPolarHBondContact O-CB 3.43Å; N98-S101 PolarHBondContact O-N 3.22Å; N98-S101 PolarHBondContact O-OG 2.65Å
99V91.8Very high88.1Confident2 Ų231.5 Ų31.51%0.01216%0.157CC..Hα-helixtrans-59.1-43.3-179.9178.90000111.3L49 A95 S101 T102 L110L49-V99 HydrophobicContact CB-CG2 3.66Å; A95-V99 VanDerWaalsContact O-CG2 3.32Å; A95-V99 WeakPolarHBondContact O-CG2 3.26Å; A95-V99 PolarHBondContact O-N 3.03Å; V99-S101 PolarHBondContact O-N 2.88Å; V99-S101 VanDerWaalsContact O-N 3.12Å; V99-T102 PolarHBondContact O-N 2.72Å; V99-T102 PolarHBondContact O-OG1 2.85Å; V99-L110 HydrophobicContact CB-CD1 3.7Å; V99-L110 HydrophobicContact CG1-CD1 3.4Å; V99-L110 VanDerWaalsContact CG1-CD1 3.4Å; V99-L110 HydrophobicContact CG2-CD1 4.43Å
100S91.1Very high87.7Confident2 Ų230.8 Ų30.81%0.01415%0.153CC..THydrogen-bonded Turntrans-70.3-1.6178.2620000114.9V96 E97 N98 T102 R141V96-S100 VanDerWaalsContact O-CB 3.23Å; V96-S100 WeakPolarHBondContact O-CB 3.43Å; V96-S100 PolarHBondContact O-N 3.21Å; V96-S100 PolarHBondContact O-OG 2.83Å; E97-S100 PolarHBondContact O-OG 3.26Å; E97-S100 VanDerWaalsContact O-OG 3.14Å; N98-S100 VanDerWaalsContact C-N 3.3Å; N98-S100 PolarHBondContact O-N 2.95Å; S100-T102 VanDerWaalsContact C-N 3.27Å; S100-R141 VanDerWaalsContact OG-CB 3.27Å; S100-R141 WeakPolarHBondContact OG-CB 3.46Å
101S88.6Confident87.4Confident45 Ų4528.1 Ų28.132%0.31514%0.143SC..THydrogen-bonded Turntrans-77.6-15.7172.386.90000113.6E97 N98 V99E97-S101 PolarHBondContact O-N 3.42Å; N98-S101 VanDerWaalsContact O-CB 3.27Å; N98-S101 WeakPolarHBondContact O-CB 3.43Å; N98-S101 PolarHBondContact O-N 3.22Å; N98-S101 PolarHBondContact O-OG 2.65Å; V99-S101 PolarHBondContact O-N 2.88Å; V99-S101 VanDerWaalsContact O-N 3.12Å
102T85.2Confident87.3Confident2 Ų228.6 Ų28.61%0.01215%0.149CC..SBendtrans-104.3149.5-177.865.40000110.3Y50 S53 E57 V99 S100 S107Y50-T102 HydrophobicContact CD2-CG2 4.27Å; Y50-T102 HydrophobicContact CE2-CG2 3.86Å; S53-T102 VanDerWaalsContact CB-OG1 3.23Å; S53-T102 WeakPolarHBondContact CB-OG1 3.45Å; E57-T102 WeakPolarHBondContact OE2-CA 3.21Å; E57-T102 WeakPolarHBondContact OE2-CB 3.43Å; E57-T102 WeakPolarHBondContact OE2-CG2 3.27Å; V99-T102 PolarHBondContact O-N 2.72Å; V99-T102 PolarHBondContact O-OG1 2.85Å; S100-T102 VanDerWaalsContact C-N 3.27Å; T102-S107 VanDerWaalsContact O-CB 3.31Å; T102-S107 WeakPolarHBondContact O-CB 3.28Å; T102-S107 PolarHBondContact O-OG 3.22Å
103V78.4Confident87.1Confident84 Ų8432.1 Ų32.151%0.50917%0.17SC..  trans-101.385.5174.4-171.60000109.6E57 L145E57-V103 PolarHBondContact OE1-N 3.4Å; V103-L145 HydrophobicContact CG1-CD2 4.41Å; V103-L145 HydrophobicContact CG2-CD2 4.2Å
104S78Confident86.9Confident6 Ų637.8 Ų37.84%0.04220%0.197CC..SBendtrans-131.9167.2-179.360.50000111.3S53 L106 S107 R108S53-S104 WeakPolarHBondContact CB-OG 3.47Å; S104-L106 PolarHBondContact O-N 3.19Å; S104-S107 PolarHBondContact N-OG 3.3Å; S104-S107 VanDerWaalsContact N-OG 3.1Å; S104-S107 PolarHBondContact O-N 3.17Å; S104-S107 PolarHBondContact O-OG 3.11Å; S104-S107 VanDerWaalsContact O-OG 3.06Å; S104-S107 PolarHBondContact OG-N 2.87Å; S104-S107 PolarHBondContact OG-OG 3.43Å; S104-R108 PolarHBondContact O-N 2.92Å
105G71Confident86.8Confident6 Ų634.1 Ų34.16%0.06218%0.181CC..Hα-helixtrans-59.3-39.5173.400000112E63 S107 R108 H109E63-G105 WeakPolarHBondContact OE1-CA 3.49Å; G105-S107 PolarHBondContact O-N 2.65Å; G105-R108 WeakPolarHBondContact O-CB 3.28Å; G105-R108 PolarHBondContact O-N 3.4Å; G105-H109 PolarHBondContact O-CD2 3.33Å; G105-H109 VanDerWaalsContact O-CD2 3.26Å; G105-H109 PolarHBondContact O-N 2.93Å
106L75.1Confident86.8Confident12 Ų1233.8 Ų33.86%0.06318%0.178CC..Hα-helixtrans-61.6-39.5176.9-66.4168.8000113.3I52 E56 V68 Y73 S104 R108 H109I52-L106 HydrophobicContact CB-CD1 3.97Å; I52-L106 HydrophobicContact CG2-CD1 3.24Å; E56-L106 VanDerWaalsContact OE2-CD1 3.3Å; E56-L106 WeakPolarHBondContact OE2-CD1 3.29Å; E56-L106 WeakPolarHBondContact OE2-CG 3.34Å; V68-L106 HydrophobicContact CB-CD2 3.88Å; V68-L106 HydrophobicContact CG2-CD1 4.33Å; V68-L106 HydrophobicContact CG2-CD2 3.6Å; Y73-L106 WeakPolarHBondContact OH-CD2 3.38Å; S104-L106 PolarHBondContact O-N 3.19Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-H109 PolarHBondContact O-N 3.11Å
107S78.9Confident86.7Confident0 Ų036.7 Ų36.70%020%0.198CC..Hα-helixtrans-72.2-28.4178.171.50000112.4T102 S104 G105 L110 L145T102-S107 VanDerWaalsContact O-CB 3.31Å; T102-S107 WeakPolarHBondContact O-CB 3.28Å; T102-S107 PolarHBondContact O-OG 3.22Å; S104-S107 PolarHBondContact N-OG 3.3Å; S104-S107 VanDerWaalsContact N-OG 3.1Å; S104-S107 PolarHBondContact O-N 3.17Å; S104-S107 PolarHBondContact O-OG 3.11Å; S104-S107 VanDerWaalsContact O-OG 3.06Å; S104-S107 PolarHBondContact OG-N 2.87Å; S104-S107 PolarHBondContact OG-OG 3.43Å; G105-S107 PolarHBondContact O-N 2.65Å; S107-L110 PolarHBondContact O-N 3.19Å; S107-L145 WeakPolarHBondContact O-CD1 3.22Å
108R80.9Confident86.7Confident122 Ų12236.3 Ų36.346%0.4620%0.198SC..Hα-helixtrans-67.8-35.4171.6-66.7-175.2-170.9109.16.8113E63 S104 G105 L106 L110 A111E63-R108 IonicContact OE1-NH1 3.77Å; E63-R108 PolarHBondContact OE1-NH1 3.44Å; S104-R108 PolarHBondContact O-N 2.92Å; G105-R108 WeakPolarHBondContact O-CB 3.28Å; G105-R108 PolarHBondContact O-N 3.4Å; L106-R108 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 3.45Å; R108-A111 WeakPolarHBondContact O-CB 3.4Å; R108-A111 PolarHBondContact O-N 2.88Å
109H85Confident86.8Confident111 Ų11134.7 Ų34.751%0.51419%0.189SC..Hα-helixtrans-62.1-23.7175.6-69.5-52.5000113.6Y73 G105 L106Y73-H109 HydrophobicContact CE1-CB 4.28Å; G105-H109 PolarHBondContact O-CD2 3.33Å; G105-H109 VanDerWaalsContact O-CD2 3.26Å; G105-H109 PolarHBondContact O-N 2.93Å; L106-H109 PolarHBondContact O-N 3.11Å
110L86.3Confident86.9Confident2 Ų235.2 Ų35.21%0.0119%0.191CC..THydrogen-bonded Turntrans-79.8-17.9172.8-75.3170.7000113.5Y73 L76 V96 V99 S107 R108 T112 M115 L142Y73-L110 HydrophobicContact CD1-CD2 3.56Å; Y73-L110 HydrophobicContact CD1-CG 3.89Å; Y73-L110 HydrophobicContact CE1-CD2 4.09Å; Y73-L110 HydrophobicContact CE1-CG 3.9Å; L76-L110 HydrophobicContact CD1-CD2 4.45Å; V96-L110 HydrophobicContact CG2-CD2 4.48Å; V99-L110 HydrophobicContact CB-CD1 3.7Å; V99-L110 HydrophobicContact CG1-CD1 3.4Å; V99-L110 VanDerWaalsContact CG1-CD1 3.4Å; V99-L110 HydrophobicContact CG2-CD1 4.43Å; S107-L110 PolarHBondContact O-N 3.19Å; R108-L110 PolarHBondContact O-N 3.45Å; L110-T112 PolarHBondContact O-N 2.99Å; L110-M115 HydrophobicContact CD2-CE 3.9Å; L110-M115 WeakPolarHBondContact O-CB 3.47Å; L110-M115 WeakPolarHBondContact O-CG 3.49Å; L110-L142 HydrophobicContact CB-CD2 3.93Å
111A88.9Confident87Confident10 Ų1041.1 Ų41.18%0.08321%0.214CC..  trans-80.857.8-176.100000111.4R108 L142 L145 D146 V149R108-A111 WeakPolarHBondContact O-CB 3.4Å; R108-A111 PolarHBondContact O-N 2.88Å; A111-L142 HydrophobicContact CB-CD2 4.31Å; A111-L145 HydrophobicContact CB-CB 4.43Å; A111-D146 HydrophobicContact CB-CB 3.93Å; A111-V149 HydrophobicContact CB-CG2 3.89Å; A111-V149 VanDerWaalsContact O-CG2 3.27Å; A111-V149 WeakPolarHBondContact O-CG2 3.49Å
112T92.1Very high87.3Confident60 Ų6039.2 Ų39.237%0.36820%0.2SC..  trans-99.1152.9176.167.50000111.5L110 E114 M115 G116L110-T112 PolarHBondContact O-N 2.99Å; T112-E114 VanDerWaalsContact C-N 3.26Å; T112-E114 PolarHBondContact O-N 3.38Å; T112-M115 WeakPolarHBondContact O-CB 3.27Å; T112-M115 PolarHBondContact O-N 3Å; T112-M115 WeakPolarHBondContact OG1-CB 3.3Å; T112-M115 PolarHBondContact OG1-N 3.37Å; T112-G116 PolarHBondContact O-N 3.48Å
113T92.1Very high87.6Confident74 Ų7439.4 Ų39.445%0.45420%0.201SC..Hα-helixtrans-61-36.5176.654.70000111.9G116 S117 S152T113-G116 PolarHBondContact O-N 3.4Å; T113-S117 PolarHBondContact O-N 3.05Å; T113-S152 WeakPolarHBondContact CB-OG 3.34Å; T113-S152 WeakPolarHBondContact CG2-OG 3.3Å
114E91.1Very high88.2Confident118 Ų11838.1 Ų38.155%0.55120%0.195SC*.Hα-helixtrans-60.9-46174.3-64-172.9174.800111.9T112 G116 S117 A118T112-E114 VanDerWaalsContact C-N 3.26Å; T112-E114 PolarHBondContact O-N 3.38Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 2.9Å; E114-S117 PolarHBondContact O-N 3.32Å; E114-S117 PolarHBondContact O-OG 3.1Å; E114-A118 PolarHBondContact O-N 3.07Å
115M92.5Very high88.7Confident5 Ų543.5 Ų43.53%0.02522%0.22CC..Hα-helixtrans-60.1-42.4175.5-170.564.666.900111M77 L80 V96 L110 T112 A118 L119 L142M77-M115 HydrophobicContact CB-CE 3.87Å; M77-M115 HydrophobicContact CG-CE 4.33Å; L80-M115 HydrophobicContact CD1-CE 4.42Å; L80-M115 HydrophobicContact CD1-SD 3.25Å; L80-M115 WeakPolarHBondContact CD1-SD 3.5Å; V96-M115 HydrophobicContact CG2-SD 4.16Å; L110-M115 HydrophobicContact CD2-CE 3.9Å; L110-M115 WeakPolarHBondContact O-CB 3.47Å; L110-M115 WeakPolarHBondContact O-CG 3.49Å; T112-M115 WeakPolarHBondContact O-CB 3.27Å; T112-M115 PolarHBondContact O-N 3Å; T112-M115 WeakPolarHBondContact OG1-CB 3.3Å; T112-M115 PolarHBondContact OG1-N 3.37Å; M115-A118 PolarHBondContact O-N 3.13Å; M115-L119 HydrophobicContact CG-CD1 4.16Å; M115-L119 WeakPolarHBondContact O-CG 3.25Å; M115-L119 PolarHBondContact O-N 3.4Å; M115-L142 HydrophobicContact CB-CD1 4.42Å; M115-L142 HydrophobicContact CG-CD1 3.64Å
116G93.6Very high89.6Confident0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-57.7-48.2174.700000112.9T112 T113 E114 A118 L119 W120T112-G116 PolarHBondContact O-N 3.48Å; T113-G116 PolarHBondContact O-N 3.4Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 2.9Å; G116-A118 PolarHBondContact O-N 3.11Å; G116-L119 PolarHBondContact O-N 2.95Å; G116-W120 WeakPolarHBondContact O-CB 3.43Å; G116-W120 PolarHBondContact O-N 3.35Å
117S93.1Very high90.2Very high60 Ų6050.8 Ų50.842%0.4226%0.264SS..Hα-helixtrans-63.3-39.817974.80000112.9T113 E114 W120 Y121T113-S117 PolarHBondContact O-N 3.05Å; E114-S117 PolarHBondContact O-N 3.32Å; E114-S117 PolarHBondContact O-OG 3.1Å; S117-W120 PolarHBondContact O-N 3.08Å; S117-Y121 WeakPolarHBondContact O-CB 3.37Å; S117-Y121 PolarHBondContact O-N 3.03Å
118A93.8Very high90.8Very high7 Ų752.3 Ų52.36%0.05828%0.277CS..Hα-helixtrans-66.6-43.6178.700000111.7L80 E114 M115 G116 Y121 L122L80-A118 HydrophobicContact CB-CB 4.21Å; E114-A118 PolarHBondContact O-N 3.07Å; M115-A118 PolarHBondContact O-N 3.13Å; G116-A118 PolarHBondContact O-N 3.11Å; A118-Y121 WeakPolarHBondContact O-CB 3.31Å; A118-Y121 PolarHBondContact O-N 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.35Å; A118-L122 PolarHBondContact O-N 3.08Å
119L95.4Very high91.2Very high0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-66-39.1176.3-68169.1000111.8L80 A93 V96 M115 G116 L122 F123 A135 L139 L142L80-L119 HydrophobicContact CD1-CD2 4.09Å; L80-L119 HydrophobicContact CD1-CG 4.45Å; L80-L119 HydrophobicContact CD2-CD2 4.02Å; A93-L119 HydrophobicContact CB-CD2 4.28Å; V96-L119 HydrophobicContact CG1-CD1 4.38Å; M115-L119 HydrophobicContact CG-CD1 4.16Å; M115-L119 WeakPolarHBondContact O-CG 3.25Å; M115-L119 PolarHBondContact O-N 3.4Å; G116-L119 PolarHBondContact O-N 2.95Å; L119-L122 PolarHBondContact O-N 3.22Å; L119-F123 PolarHBondContact O-N 3.31Å; L119-A135 HydrophobicContact CD2-CB 4.33Å; L119-A135 WeakPolarHBondContact O-CB 3.36Å; L119-L139 HydrophobicContact CB-CB 4.27Å; L119-L139 HydrophobicContact CD1-CB 4.35Å; L119-L142 HydrophobicContact CD1-CD1 3.67Å
120W94.7Very high91.5Very high13 Ų1348 Ų485%0.04927%0.273CS..Hα-helixtrans-63.3-41.5174.4-175-97.7000112.3G116 S117 F123 S124 I136 L139 F150 V153 C157 A161 V162 L177G116-W120 WeakPolarHBondContact O-CB 3.43Å; G116-W120 PolarHBondContact O-N 3.35Å; S117-W120 PolarHBondContact O-N 3.08Å; W120-F123 HydrophobicContact CD2-CD1 4.37Å; W120-F123 HydrophobicContact CE3-CD1 4.08Å; W120-F123 HydrophobicContact CH2-CD1 4.13Å; W120-F123 AromaticContact CH2-CE1 3.94Å; W120-F123 HydrophobicContact CH2-CE1 3.94Å; W120-F123 HydrophobicContact CZ2-CD1 4.43Å; W120-F123 HydrophobicContact CZ2-CE1 4.4Å; W120-F123 AromaticContact CZ3-CD1 3.97Å; W120-F123 HydrophobicContact CZ3-CD1 3.97Å; W120-F123 HydrophobicContact CZ3-CE1 4.11Å; W120-F123 PolarHBondContact O-N 3.31Å; W120-S124 PolarHBondContact O-N 3.36Å; W120-S124 PolarHBondContact O-OG 3.33Å; W120-I136 HydrophobicContact CE3-CD1 4.29Å; W120-I136 HydrophobicContact CZ3-CD1 4.07Å; W120-L139 HydrophobicContact CB-CD2 4.5Å; W120-L139 HydrophobicContact CE3-CD2 3.82Å; W120-F150 HydrophobicContact CE3-CE2 4.41Å; W120-F150 HydrophobicContact CZ3-CE2 4.14Å; W120-V153 HydrophobicContact CB-CG1 3.82Å; W120-V153 HydrophobicContact CB-CG2 4.33Å; W120-V153 HydrophobicContact CD2-CG1 3.46Å; W120-V153 VanDerWaalsContact CD2-CG1 3.46Å; W120-V153 HydrophobicContact CE3-CG1 3.67Å; W120-V153 HydrophobicContact CG-CG1 3.51Å; W120-V153 HydrophobicContact CZ3-CG1 4.46Å; W120-C157 PolarHBondContact NE1-SG 3.25Å; W120-C157 VanDerWaalsContact NE1-SG 3.44Å; W120-A161 HydrophobicContact CZ2-CB 4.09Å; W120-V162 HydrophobicContact CH2-CB 4.35Å; W120-V162 HydrophobicContact CH2-CG2 3.89Å; W120-V162 HydrophobicContact CZ2-CG2 4.27Å; W120-V162 HydrophobicContact CZ3-CG2 4.49Å; W120-L177 HydrophobicContact CH2-CD2 4.28Å; W120-L177 HydrophobicContact CZ3-CD2 3.82Å
121Y92.9Very high91.8Very high127 Ų12748.1 Ų48.150%0.49827%0.273SS..Hα-helixtrans-59.4-48.3175.6-179.9-96.4000111.4S117 A118 F123 S124 H125S117-Y121 WeakPolarHBondContact O-CB 3.37Å; S117-Y121 PolarHBondContact O-N 3.03Å; A118-Y121 WeakPolarHBondContact O-CB 3.31Å; A118-Y121 PolarHBondContact O-N 3.28Å; Y121-F123 VanDerWaalsContact C-N 3.31Å; Y121-F123 PolarHBondContact O-N 3.43Å; Y121-S124 PolarHBondContact O-N 3.16Å; Y121-S124 PolarHBondContact O-OG 3.47Å; Y121-S124 VanDerWaalsContact O-OG 3.1Å; Y121-H125 AromaticContact CD2-CE1 3.71Å; Y121-H125 AromaticContact CD2-CG 3.9Å; Y121-H125 AromaticContact CD2-ND1 3.47Å; Y121-H125 WeakPolarHBondContact CD2-ND1 3.31Å; Y121-H125 HydrophobicContact CE1-CB 4.31Å; Y121-H125 HydrophobicContact CE2-CB 4.18Å; Y121-H125 AromaticContact CE2-CD2 3.7Å; Y121-H125 AromaticContact CE2-CE1 3.78Å; Y121-H125 AromaticContact CE2-CG 3.57Å; Y121-H125 AromaticContact CE2-ND1 3.61Å; Y121-H125 AromaticContact CE2-NE2 3.83Å; Y121-H125 AromaticContact CZ-CG 3.94Å; Y121-H125 WeakPolarHBondContact O-CB 3.03Å; Y121-H125 PolarHBondContact O-N 3Å; Y121-H125 PolarHBondContact O-ND1 2.86Å
122L93.5Very high92Very high5 Ų550.7 Ų50.73%0.02628%0.281CS..Hα-helixtrans-59.9-39.7176.3-69.9179.8000112.6L80 H89 A118 L119 S126 V131 A135L80-L122 HydrophobicContact CB-CD1 4.19Å; L80-L122 HydrophobicContact CD2-CD1 3.55Å; L80-L122 HydrophobicContact CG-CD1 4.5Å; H89-L122 HydrophobicContact CB-CD1 4.2Å; H89-L122 HydrophobicContact CB-CD2 4.02Å; H89-L122 WeakPolarHBondContact ND1-CD2 3.49Å; A118-L122 WeakPolarHBondContact O-CG 3.35Å; A118-L122 PolarHBondContact O-N 3.08Å; L119-L122 PolarHBondContact O-N 3.22Å; L122-S126 WeakPolarHBondContact O-CB 3.43Å; L122-S126 PolarHBondContact O-N 2.68Å; L122-S126 VanDerWaalsContact O-N 3.13Å; L122-V131 HydrophobicContact CB-CG1 4.24Å; L122-A135 HydrophobicContact CB-CB 3.99Å
123F92.6Very high92.1Very high6 Ų649.1 Ų49.13%0.02627%0.271CS..Hα-helixtrans-62.6-42.4176.2164.4-112.8000113L119 W120 Y121 R132 A135 I136 V173 L177L119-F123 PolarHBondContact O-N 3.31Å; W120-F123 HydrophobicContact CD2-CD1 4.37Å; W120-F123 HydrophobicContact CE3-CD1 4.08Å; W120-F123 HydrophobicContact CH2-CD1 4.13Å; W120-F123 AromaticContact CH2-CE1 3.94Å; W120-F123 HydrophobicContact CH2-CE1 3.94Å; W120-F123 HydrophobicContact CZ2-CD1 4.43Å; W120-F123 HydrophobicContact CZ2-CE1 4.4Å; W120-F123 AromaticContact CZ3-CD1 3.97Å; W120-F123 HydrophobicContact CZ3-CD1 3.97Å; W120-F123 HydrophobicContact CZ3-CE1 4.11Å; W120-F123 PolarHBondContact O-N 3.31Å; Y121-F123 VanDerWaalsContact C-N 3.31Å; Y121-F123 PolarHBondContact O-N 3.43Å; F123-R132 HydrophobicContact CD2-CB 4.15Å; F123-R132 PolarHBondContact O-NE 3.32Å; F123-A135 HydrophobicContact CB-CB 4.43Å; F123-I136 HydrophobicContact CD1-CD1 4.19Å; F123-I136 HydrophobicContact CD2-CB 4.28Å; F123-I136 HydrophobicContact CG-CD1 4.18Å; F123-V173 HydrophobicContact CD2-CG1 4.41Å; F123-V173 HydrophobicContact CE2-CG1 3.5Å; F123-V173 VanDerWaalsContact CE2-CG1 3.5Å; F123-V173 HydrophobicContact CZ-CG1 3.89Å; F123-L177 HydrophobicContact CZ-CD1 4.17Å
124S90.3Very high92.2Very high56 Ų5646.1 Ų46.139%0.39225%0.253SS..Hα-helixtrans-83.9-31.8-173.446.10000113.8W120 Y121W120-S124 PolarHBondContact O-N 3.36Å; W120-S124 PolarHBondContact O-OG 3.33Å; Y121-S124 PolarHBondContact O-N 3.16Å; Y121-S124 PolarHBondContact O-OG 3.47Å; Y121-S124 VanDerWaalsContact O-OG 3.1Å
125H89.9Confident92.4Very high120 Ų12040.5 Ų40.556%0.55623%0.226SC*.Hα-helixtrans-110-16.2-171-63.472.2000114.1Y121Y121-H125 AromaticContact CD2-CE1 3.71Å; Y121-H125 AromaticContact CD2-CG 3.9Å; Y121-H125 AromaticContact CD2-ND1 3.47Å; Y121-H125 WeakPolarHBondContact CD2-ND1 3.31Å; Y121-H125 HydrophobicContact CE1-CB 4.31Å; Y121-H125 HydrophobicContact CE2-CB 4.18Å; Y121-H125 AromaticContact CE2-CD2 3.7Å; Y121-H125 AromaticContact CE2-CE1 3.78Å; Y121-H125 AromaticContact CE2-CG 3.57Å; Y121-H125 AromaticContact CE2-ND1 3.61Å; Y121-H125 AromaticContact CE2-NE2 3.83Å; Y121-H125 AromaticContact CZ-CG 3.94Å; Y121-H125 WeakPolarHBondContact O-CB 3.03Å; Y121-H125 PolarHBondContact O-N 3Å; Y121-H125 PolarHBondContact O-ND1 2.86Å
126S89.9Confident92.5Very high24 Ų2440.3 Ų40.317%0.16823%0.225CC..  trans-76.1138.9176.1-169.10000111.2L122 A128 R132L122-S126 WeakPolarHBondContact O-CB 3.43Å; L122-S126 PolarHBondContact O-N 2.68Å; L122-S126 VanDerWaalsContact O-N 3.13Å; S126-A128 PolarHBondContact OG-N 3.04Å; S126-R132 VanDerWaalsContact O-CD 3.25Å; S126-R132 WeakPolarHBondContact O-CD 3.4Å
127T87.8Confident92.6Very high146 Ų14640.3 Ų40.390%0.89623%0.226SC*.  trans-85.5-15170.655.50000112.6E129T127-E129 PolarHBondContact O-N 3.33Å
128A90.9Very high92.7Very high32 Ų3237.5 Ų37.526%0.26421%0.206SC..  trans-84.2110.5-177.400000111.1A86 S126 A130 V131 R132A86-A128 HydrophobicContact CB-CB 4.27Å; S126-A128 PolarHBondContact OG-N 3.04Å; A128-A130 VanDerWaalsContact C-N 3.26Å; A128-A130 PolarHBondContact O-N 2.98Å; A128-V131 HydrophobicContact CB-CB 4.21Å; A128-V131 HydrophobicContact CB-CG2 3.83Å; A128-V131 WeakPolarHBondContact O-CB 3.2Å; A128-V131 PolarHBondContact O-N 2.64Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 3.26Å; A128-R132 VanDerWaalsContact O-N 3.08Å
129E89.6Confident92.8Very high85 Ų8537.2 Ų37.240%0.39720%0.203SC..Hα-helixtrans-57.6-36.4-176.3-173.861.8-170.500113.3T127 V131 R132 V133T127-E129 PolarHBondContact O-N 3.33Å; E129-V131 VanDerWaalsContact C-N 3.32Å; E129-V131 PolarHBondContact O-N 3.29Å; E129-R132 PolarHBondContact O-N 3.21Å; E129-R132 IonicContact OE2-CZ 2.75Å; E129-R132 IonicContact OE2-NH1 4Å; E129-R132 PolarHBondContact OE2-NH1 2.92Å; E129-V133 HydrophobicContact CG-CG2 4.22Å; E129-V133 WeakPolarHBondContact O-CB 3.38Å; E129-V133 VanDerWaalsContact O-CG2 3.3Å; E129-V133 WeakPolarHBondContact O-CG2 3.33Å; E129-V133 PolarHBondContact O-N 2.77Å
130A90.9Very high92.7Very high59 Ų5937.2 Ų37.249%0.48820%0.204SC..Hα-helixtrans-62.4-37.3176.300000112.8H90 A128 T134H90-A130 PolarHBondContact CE1-O 3.08Å; H90-A130 PolarHBondContact ND1-O 3.2Å; A128-A130 VanDerWaalsContact C-N 3.26Å; A128-A130 PolarHBondContact O-N 2.98Å; A130-T134 WeakPolarHBondContact O-CB 3.4Å; A130-T134 PolarHBondContact O-N 3.45Å; A130-T134 PolarHBondContact O-OG1 2.84Å
131V92.8Very high92.7Very high3 Ų339.2 Ų39.22%0.01821%0.211CC..Hα-helixtrans-67.8-48.6174.8178.10000109.3A86 H89 H90 L122 A128 E129 V133 T134 A135A86-V131 HydrophobicContact CB-CG2 4.25Å; A86-V131 WeakPolarHBondContact O-CG2 3.49Å; H89-V131 HydrophobicContact CB-CG1 4.15Å; H90-V131 HydrophobicContact CB-CG2 3.91Å; L122-V131 HydrophobicContact CB-CG1 4.24Å; A128-V131 HydrophobicContact CB-CB 4.21Å; A128-V131 HydrophobicContact CB-CG2 3.83Å; A128-V131 WeakPolarHBondContact O-CB 3.2Å; A128-V131 PolarHBondContact O-N 2.64Å; E129-V131 VanDerWaalsContact C-N 3.32Å; E129-V131 PolarHBondContact O-N 3.29Å; V131-V133 PolarHBondContact O-N 2.72Å; V131-T134 PolarHBondContact O-N 2.87Å; V131-A135 VanDerWaalsContact O-CB 3.26Å; V131-A135 WeakPolarHBondContact O-CB 3.28Å; V131-A135 PolarHBondContact O-N 3.21Å
132R92.4Very high92.7Very high64 Ų6433.1 Ų33.124%0.24219%0.187CC..Hα-helixtrans-58-48.2-179.1-62.4175.772.8-152.99.1112.6F123 S126 A128 E129 I136F123-R132 HydrophobicContact CD2-CB 4.15Å; F123-R132 PolarHBondContact O-NE 3.32Å; S126-R132 VanDerWaalsContact O-CD 3.25Å; S126-R132 WeakPolarHBondContact O-CD 3.4Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 3.26Å; A128-R132 VanDerWaalsContact O-N 3.08Å; E129-R132 PolarHBondContact O-N 3.21Å; E129-R132 IonicContact OE2-CZ 2.75Å; E129-R132 IonicContact OE2-NH1 4Å; E129-R132 PolarHBondContact OE2-NH1 2.92Å; R132-I136 WeakPolarHBondContact O-CG2 3.31Å; R132-I136 PolarHBondContact O-N 2.94Å; R132-I136 VanDerWaalsContact O-N 3.1Å
133V93.4Very high92.6Very high27 Ų2732.9 Ų32.916%0.16419%0.186CC..Hα-helixtrans-63.8-42.5178.7173.10000111.4E129 V131 I136 S137 R172 V173E129-V133 HydrophobicContact CG-CG2 4.22Å; E129-V133 WeakPolarHBondContact O-CB 3.38Å; E129-V133 VanDerWaalsContact O-CG2 3.3Å; E129-V133 WeakPolarHBondContact O-CG2 3.33Å; E129-V133 PolarHBondContact O-N 2.77Å; V131-V133 PolarHBondContact O-N 2.72Å; V133-I136 WeakPolarHBondContact O-CG2 3.48Å; V133-S137 WeakPolarHBondContact O-CB 3.32Å; V133-S137 PolarHBondContact O-N 3.43Å; V133-R172 HydrophobicContact CG1-CB 4.26Å; V133-V173 HydrophobicContact CG2-CG2 3.75Å
134T95.1Very high92.5Very high11 Ų1138.7 Ų38.77%0.06721%0.208CC..Hα-helixtrans-69.3-44.7-179.5-53.60000110.6H90 A93 K94 E97 A130 V131 I136 S137 S138H90-T134 PolarHBondContact CE1-OG1 3.41Å; H90-T134 PolarHBondContact ND1-OG1 3.24Å; A93-T134 HydrophobicContact CB-CG2 3.86Å; K94-T134 HydrophobicContact CB-CG2 4.14Å; K94-T134 HydrophobicContact CD-CG2 4.1Å; E97-T134 HydrophobicContact CB-CG2 4.38Å; A130-T134 WeakPolarHBondContact O-CB 3.4Å; A130-T134 PolarHBondContact O-N 3.45Å; A130-T134 PolarHBondContact O-OG1 2.84Å; V131-T134 PolarHBondContact O-N 2.87Å; T134-I136 VanDerWaalsContact C-N 3.32Å; T134-I136 PolarHBondContact O-N 3Å; T134-S137 PolarHBondContact O-N 2.64Å; T134-S138 WeakPolarHBondContact O-CB 3.46Å; T134-S138 PolarHBondContact O-N 3.38Å; T134-S138 PolarHBondContact O-OG 3.48Å
135A95.3Very high92.4Very high0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-58.1-44.7178.900000111.8L119 L122 F123 V131 S138 L139L119-A135 HydrophobicContact CD2-CB 4.33Å; L119-A135 WeakPolarHBondContact O-CB 3.36Å; L122-A135 HydrophobicContact CB-CB 3.99Å; F123-A135 HydrophobicContact CB-CB 4.43Å; V131-A135 VanDerWaalsContact O-CB 3.26Å; V131-A135 WeakPolarHBondContact O-CB 3.28Å; V131-A135 PolarHBondContact O-N 3.21Å; A135-S138 PolarHBondContact O-N 3.39Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 2.91Å
136I95.1Very high92.4Very high1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-73.7-32.3178.3-157.271.5000113.3W120 F123 R132 V133 T134 L139 S140 V173 H176 L177W120-I136 HydrophobicContact CE3-CD1 4.29Å; W120-I136 HydrophobicContact CZ3-CD1 4.07Å; F123-I136 HydrophobicContact CD1-CD1 4.19Å; F123-I136 HydrophobicContact CD2-CB 4.28Å; F123-I136 HydrophobicContact CG-CD1 4.18Å; R132-I136 WeakPolarHBondContact O-CG2 3.31Å; R132-I136 PolarHBondContact O-N 2.94Å; R132-I136 VanDerWaalsContact O-N 3.1Å; V133-I136 WeakPolarHBondContact O-CG2 3.48Å; T134-I136 VanDerWaalsContact C-N 3.32Å; T134-I136 PolarHBondContact O-N 3Å; I136-L139 HydrophobicContact CD1-CD2 3.99Å; I136-L139 PolarHBondContact O-N 3.46Å; I136-S140 VanDerWaalsContact O-CB 3.25Å; I136-S140 WeakPolarHBondContact O-CB 3.41Å; I136-S140 PolarHBondContact O-N 2.96Å; I136-V173 HydrophobicContact CG2-CB 4.36Å; I136-V173 HydrophobicContact CG2-CG1 4.16Å; I136-V173 HydrophobicContact CG2-CG2 4.25Å; I136-H176 HydrophobicContact CG1-CB 4.18Å; I136-H176 HydrophobicContact CG2-CB 3.94Å; I136-L177 HydrophobicContact CD1-CD2 3.39Å; I136-L177 HydrophobicContact CD1-CG 3.97Å; I136-L177 HydrophobicContact CG1-CD2 3.85Å; I136-L177 HydrophobicContact CG1-CG 3.84Å
137S95.1Very high92.5Very high1 Ų135.6 Ų35.61%0.00719%0.191CC..Hα-helixtrans-61.9-49.4171.4-1780000110.5E97 V133 T134 L139 S140 R141 H176E97-S137 VanDerWaalsContact CD-OG 3.32Å; E97-S137 VanDerWaalsContact OE1-CB 3.32Å; E97-S137 WeakPolarHBondContact OE1-CB 3.45Å; E97-S137 PolarHBondContact OE1-OG 3.29Å; V133-S137 WeakPolarHBondContact O-CB 3.32Å; V133-S137 PolarHBondContact O-N 3.43Å; T134-S137 PolarHBondContact O-N 2.64Å; S137-L139 PolarHBondContact O-N 2.93Å; S137-S140 WeakPolarHBondContact O-CB 3.31Å; S137-S140 PolarHBondContact O-N 3.01Å; S137-R141 VanDerWaalsContact O-CG 3.27Å; S137-R141 WeakPolarHBondContact O-CG 3.35Å; S137-R141 PolarHBondContact O-N 2.9Å; S137-R141 PolarHBondContact OG-NE 2.88Å; S137-H176 PolarHBondContact OG-CE1 3.2Å
138S95.3Very high92.6Very high0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-58.1-47.2176.2-55.40000111.4A93 E97 T134 A135 S140 R141 L142A93-S138 PolarHBondContact O-OG 3.17Å; E97-S138 VanDerWaalsContact CA-OG 3.27Å; E97-S138 WeakPolarHBondContact CA-OG 3.25Å; E97-S138 WeakPolarHBondContact CB-OG 3.37Å; E97-S138 PolarHBondContact N-OG 3.45Å; T134-S138 WeakPolarHBondContact O-CB 3.46Å; T134-S138 PolarHBondContact O-N 3.38Å; T134-S138 PolarHBondContact O-OG 3.48Å; A135-S138 PolarHBondContact O-N 3.39Å; S138-S140 PolarHBondContact O-N 3.38Å; S138-R141 PolarHBondContact O-N 3.46Å; S138-L142 WeakPolarHBondContact O-CG 3.23Å; S138-L142 PolarHBondContact O-N 3.5Å
139L95.3Very high92.7Very high1 Ų129.2 Ų29.21%0.00515%0.152CC..Hα-helixtrans-59.6-46.7177.2-177.361.3000111.3L119 W120 A135 I136 S137 R141 L142 T143 V149 F150 V153L119-L139 HydrophobicContact CB-CB 4.27Å; L119-L139 HydrophobicContact CD1-CB 4.35Å; W120-L139 HydrophobicContact CB-CD2 4.5Å; W120-L139 HydrophobicContact CE3-CD2 3.82Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 2.91Å; I136-L139 HydrophobicContact CD1-CD2 3.99Å; I136-L139 PolarHBondContact O-N 3.46Å; S137-L139 PolarHBondContact O-N 2.93Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 3.24Å; L139-L142 PolarHBondContact O-N 2.97Å; L139-T143 WeakPolarHBondContact O-CB 3.45Å; L139-T143 PolarHBondContact O-N 2.89Å; L139-T143 PolarHBondContact O-OG1 3.42Å; L139-V149 HydrophobicContact CD1-CG1 3.94Å; L139-F150 HydrophobicContact CD1-CD2 4.47Å; L139-F150 HydrophobicContact CD2-CD2 3.84Å; L139-F150 HydrophobicContact CD2-CE2 4Å; L139-F150 HydrophobicContact CG-CD2 4.08Å; L139-V153 HydrophobicContact CD1-CG2 4.47Å
140S94.6Very high92.9Very high1 Ų125.1 Ų25.11%0.00713%0.134CC..Hα-helixtrans-59.5-37.6177.3173.90000112.5I136 S137 S138 R144 H176I136-S140 VanDerWaalsContact O-CB 3.25Å; I136-S140 WeakPolarHBondContact O-CB 3.41Å; I136-S140 PolarHBondContact O-N 2.96Å; S137-S140 WeakPolarHBondContact O-CB 3.31Å; S137-S140 PolarHBondContact O-N 3.01Å; S138-S140 PolarHBondContact O-N 3.38Å; S140-R144 PolarHBondContact O-N 3.15Å; S140-H176 PolarHBondContact OG-O 3.29Å
141R92.9Very high92.9Very high54 Ų5423.4 Ų23.420%0.20412%0.116CC..Hα-helixtrans-70.9-46.5176.6-66.4176.5-172.3-144.90.8112E97 S100 S137 S138 L139 T143 R144 L145E97-R141 WeakPolarHBondContact O-CD 3.31Å; E97-R141 PolarHBondContact O-NH1 3.34Å; E97-R141 IonicContact OE1-CZ 3.16Å; E97-R141 IonicContact OE1-NE 3.88Å; E97-R141 IonicContact OE1-NH2 3.56Å; E97-R141 PolarHBondContact OE1-NH2 3.21Å; S100-R141 VanDerWaalsContact OG-CB 3.27Å; S100-R141 WeakPolarHBondContact OG-CB 3.46Å; S137-R141 VanDerWaalsContact O-CG 3.27Å; S137-R141 WeakPolarHBondContact O-CG 3.35Å; S137-R141 PolarHBondContact O-N 2.9Å; S137-R141 PolarHBondContact OG-NE 2.88Å; S138-R141 PolarHBondContact O-N 3.46Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 3.24Å; R141-T143 PolarHBondContact O-N 3.5Å; R141-R144 WeakPolarHBondContact O-CB 3.13Å; R141-R144 PolarHBondContact O-N 3.37Å; R141-L145 PolarHBondContact O-N 2.79Å
142L93.7Very high92.9Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-58.1-38.6174.2-68.6178000111.7V96 L110 A111 M115 L119 S138 L139 R144 L145 D146 V149V96-L142 HydrophobicContact CG1-CD1 3.97Å; V96-L142 HydrophobicContact CG1-CD2 4.44Å; V96-L142 HydrophobicContact CG1-CG 4.37Å; L110-L142 HydrophobicContact CB-CD2 3.93Å; A111-L142 HydrophobicContact CB-CD2 4.31Å; M115-L142 HydrophobicContact CB-CD1 4.42Å; M115-L142 HydrophobicContact CG-CD1 3.64Å; L119-L142 HydrophobicContact CD1-CD1 3.67Å; S138-L142 WeakPolarHBondContact O-CG 3.23Å; S138-L142 PolarHBondContact O-N 3.5Å; L139-L142 PolarHBondContact O-N 2.97Å; L142-R144 PolarHBondContact O-N 2.93Å; L142-L145 HydrophobicContact CD2-CD1 4.36Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 3.09Å; L142-D146 PolarHBondContact O-N 3.5Å; L142-V149 HydrophobicContact CB-CG1 4.41Å
143T92.4Very high92.9Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-61.6-29.1176.4-48.20000112.7L139 R141 D146 P147 F150 A180L139-T143 WeakPolarHBondContact O-CB 3.45Å; L139-T143 PolarHBondContact O-N 2.89Å; L139-T143 PolarHBondContact O-OG1 3.42Å; R141-T143 PolarHBondContact O-N 3.5Å; T143-D146 CarbonylContact O-C 3.6Å; T143-P147 WeakPolarHBondContact O-CA 3.37Å; T143-F150 HydrophobicContact CG2-CB 3.46Å; T143-F150 VanDerWaalsContact CG2-CB 3.46Å; T143-F150 HydrophobicContact CG2-CD1 4.49Å; T143-F150 HydrophobicContact CG2-CG 4.21Å; T143-F150 WeakPolarHBondContact OG1-CB 3.3Å; T143-A180 HydrophobicContact CG2-CB 4.36Å
144R89.3Confident92.7Very high128 Ų12820.5 Ų20.548%0.48311%0.106SC..Hα-helixtrans-75.2-27.9174.8-63.9-167.5-52.1-95.83112.6S140 R141 L142S140-R144 PolarHBondContact O-N 3.15Å; R141-R144 WeakPolarHBondContact O-CB 3.13Å; R141-R144 PolarHBondContact O-N 3.37Å; L142-R144 PolarHBondContact O-N 2.93Å
145L88.8Confident92.4Very high33 Ų3324.1 Ų24.117%0.17313%0.125CC..Hα-helixtrans-78.2-46.9176.6-62.3173.6000110.7V103 S107 A111 R141 L142V103-L145 HydrophobicContact CG1-CD2 4.41Å; V103-L145 HydrophobicContact CG2-CD2 4.2Å; S107-L145 WeakPolarHBondContact O-CD1 3.22Å; A111-L145 HydrophobicContact CB-CB 4.43Å; R141-L145 PolarHBondContact O-N 2.79Å; L142-L145 HydrophobicContact CD2-CD1 4.36Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 3.09Å
146D89.9Confident92.1Very high64 Ų6429.4 Ų29.434%0.34216%0.157SC..  trans-141.5110.2172.7-177.14.1000110.5A111 L142 T143 A148 V149A111-D146 HydrophobicContact CB-CB 3.93Å; L142-D146 PolarHBondContact O-N 3.5Å; T143-D146 CarbonylContact O-C 3.6Å; D146-A148 PolarHBondContact O-N 3.37Å; D146-A148 VanDerWaalsContact O-N 3.17Å; D146-A148 VanDerWaalsContact OD1-CB 3.22Å; D146-A148 WeakPolarHBondContact OD1-CB 3.31Å; D146-A148 PolarHBondContact OD1-N 3Å; D146-V149 HydrophobicContact CB-CG2 4.32Å; D146-V149 WeakPolarHBondContact O-CG2 3.39Å; D146-V149 PolarHBondContact O-N 3.44Å
147P91Very high91.6Very high38 Ų3832 Ų3225%0.24718%0.175CC..THydrogen-bonded Turntrans-58.4-25176.3-25.535.2000114.1T143 V149 F150 L151 A187T143-P147 WeakPolarHBondContact O-CA 3.37Å; P147-V149 PolarHBondContact O-N 3.3Å; P147-V149 VanDerWaalsContact O-N 3.14Å; P147-F150 PolarHBondContact O-N 3.08Å; P147-L151 WeakPolarHBondContact O-CG 3.41Å; P147-L151 PolarHBondContact O-N 3.31Å; P147-L151 VanDerWaalsContact O-N 3.13Å; P147-A187 HydrophobicContact CB-CB 3.29Å; P147-A187 HydrophobicContact CG-CB 3.68Å
148A91.3Very high91Very high42 Ų4233 Ų3335%0.34719%0.185SC..Hα-helixtrans-58.2-28.8-179.400000112.7D146 L151 S152D146-A148 PolarHBondContact O-N 3.37Å; D146-A148 VanDerWaalsContact O-N 3.17Å; D146-A148 VanDerWaalsContact OD1-CB 3.22Å; D146-A148 WeakPolarHBondContact OD1-CB 3.31Å; D146-A148 PolarHBondContact OD1-N 3Å; A148-L151 PolarHBondContact O-N 2.88Å; A148-S152 PolarHBondContact O-N 2.95Å
149V93.4Very high90.2Very high1 Ų135.6 Ų35.61%0.00620%0.202CC..Hα-helixtrans-56.6-54.3176.6178.90000111A111 L139 L142 D146 P147 S152 V153A111-V149 HydrophobicContact CB-CG2 3.89Å; A111-V149 VanDerWaalsContact O-CG2 3.27Å; A111-V149 WeakPolarHBondContact O-CG2 3.49Å; L139-V149 HydrophobicContact CD1-CG1 3.94Å; L142-V149 HydrophobicContact CB-CG1 4.41Å; D146-V149 HydrophobicContact CB-CG2 4.32Å; D146-V149 WeakPolarHBondContact O-CG2 3.39Å; D146-V149 PolarHBondContact O-N 3.44Å; P147-V149 PolarHBondContact O-N 3.3Å; P147-V149 VanDerWaalsContact O-N 3.14Å; V149-S152 PolarHBondContact O-N 3.45Å; V149-S152 PolarHBondContact O-OG 3.01Å; V149-V153 PolarHBondContact O-N 3.05Å
150F92.9Very high89.6Confident0 Ų038.5 Ų38.50%023%0.227CC..Hα-helixtrans-76.6-30.8-178.2-167.7-117.5000112.7W120 L139 T143 P147 S152 V153 I154 V162 A180 V181 A184W120-F150 HydrophobicContact CE3-CE2 4.41Å; W120-F150 HydrophobicContact CZ3-CE2 4.14Å; L139-F150 HydrophobicContact CD1-CD2 4.47Å; L139-F150 HydrophobicContact CD2-CD2 3.84Å; L139-F150 HydrophobicContact CD2-CE2 4Å; L139-F150 HydrophobicContact CG-CD2 4.08Å; T143-F150 HydrophobicContact CG2-CB 3.46Å; T143-F150 VanDerWaalsContact CG2-CB 3.46Å; T143-F150 HydrophobicContact CG2-CD1 4.49Å; T143-F150 HydrophobicContact CG2-CG 4.21Å; T143-F150 WeakPolarHBondContact OG1-CB 3.3Å; P147-F150 PolarHBondContact O-N 3.08Å; F150-S152 VanDerWaalsContact C-N 3.29Å; F150-S152 PolarHBondContact O-N 3.02Å; F150-V153 HydrophobicContact CD2-CB 4.33Å; F150-V153 HydrophobicContact CE2-CG1 4.5Å; F150-V153 WeakPolarHBondContact O-CB 3.3Å; F150-V153 PolarHBondContact O-N 3.31Å; F150-V153 VanDerWaalsContact O-N 3.12Å; F150-I154 HydrophobicContact CD1-CD1 3.73Å; F150-I154 HydrophobicContact CD1-CG1 4.29Å; F150-I154 HydrophobicContact CE1-CD1 3.71Å; F150-I154 HydrophobicContact CE1-CG1 4.1Å; F150-I154 HydrophobicContact CZ-CG1 4.47Å; F150-I154 WeakPolarHBondContact O-CG1 3.32Å; F150-I154 PolarHBondContact O-N 3.02Å; F150-V162 HydrophobicContact CZ-CG1 4.1Å; F150-V162 HydrophobicContact CZ-CG2 4.32Å; F150-A180 HydrophobicContact CD1-CB 3.85Å; F150-A180 WeakPolarHBondContact CD1-O 3.22Å; F150-A180 HydrophobicContact CD2-CB 4.06Å; F150-A180 HydrophobicContact CE1-CB 3.81Å; F150-A180 HydrophobicContact CE2-CB 4.03Å; F150-A180 HydrophobicContact CG-CB 3.99Å; F150-A180 HydrophobicContact CZ-CB 3.91Å; F150-V181 HydrophobicContact CE1-CG2 3.95Å; F150-V181 HydrophobicContact CZ-CG2 4.28Å; F150-A184 HydrophobicContact CD1-CB 3.89Å
151L91.7Very high89Confident23 Ų2340.1 Ų40.112%0.1224%0.24CC..Hα-helixtrans-58.7-43.3171.9-65.3176.9000111P147 A148 V153 I154 D155 A184 A187 H191P147-L151 WeakPolarHBondContact O-CG 3.41Å; P147-L151 PolarHBondContact O-N 3.31Å; P147-L151 VanDerWaalsContact O-N 3.13Å; A148-L151 PolarHBondContact O-N 2.88Å; L151-V153 VanDerWaalsContact C-N 3.27Å; L151-V153 PolarHBondContact O-N 3.4Å; L151-I154 HydrophobicContact CD2-CD1 4.43Å; L151-I154 WeakPolarHBondContact O-CB 3.2Å; L151-I154 PolarHBondContact O-N 3.14Å; L151-I154 VanDerWaalsContact O-N 3.13Å; L151-D155 PolarHBondContact O-N 3.11Å; L151-A184 HydrophobicContact CD2-CB 3.58Å; L151-A184 HydrophobicContact CG-CB 4.4Å; L151-A187 HydrophobicContact CD1-CB 4.44Å; L151-H191 HydrophobicContact CD2-CB 3.99Å
152S92.1Very high88.5Confident23 Ų2337.9 Ų37.916%0.16123%0.232CC..Hα-helixtrans-62.9-33.8175.684.70000113T113 A148 V149 F150 D155 T156T113-S152 WeakPolarHBondContact CB-OG 3.34Å; T113-S152 WeakPolarHBondContact CG2-OG 3.3Å; A148-S152 PolarHBondContact O-N 2.95Å; V149-S152 PolarHBondContact O-N 3.45Å; V149-S152 PolarHBondContact O-OG 3.01Å; F150-S152 VanDerWaalsContact C-N 3.29Å; F150-S152 PolarHBondContact O-N 3.02Å; S152-D155 PolarHBondContact O-N 3.08Å; S152-T156 WeakPolarHBondContact O-CB 3.4Å; S152-T156 PolarHBondContact O-N 3.06Å; S152-T156 PolarHBondContact O-OG1 2.73Å
153V91.6Very high87.6Confident1 Ų138.5 Ų38.51%0.00624%0.236CC..Hα-helixtrans-66.8-41.9175.11730000110.5W120 L139 V149 F150 L151 T156 C157W120-V153 HydrophobicContact CB-CG1 3.82Å; W120-V153 HydrophobicContact CB-CG2 4.33Å; W120-V153 HydrophobicContact CD2-CG1 3.46Å; W120-V153 VanDerWaalsContact CD2-CG1 3.46Å; W120-V153 HydrophobicContact CE3-CG1 3.67Å; W120-V153 HydrophobicContact CG-CG1 3.51Å; W120-V153 HydrophobicContact CZ3-CG1 4.46Å; L139-V153 HydrophobicContact CD1-CG2 4.47Å; V149-V153 PolarHBondContact O-N 3.05Å; F150-V153 HydrophobicContact CD2-CB 4.33Å; F150-V153 HydrophobicContact CE2-CG1 4.5Å; F150-V153 WeakPolarHBondContact O-CB 3.3Å; F150-V153 PolarHBondContact O-N 3.31Å; F150-V153 VanDerWaalsContact O-N 3.12Å; L151-V153 VanDerWaalsContact C-N 3.27Å; L151-V153 PolarHBondContact O-N 3.4Å; V153-T156 PolarHBondContact O-N 3.16Å; V153-C157 WeakPolarHBondContact O-CB 3.38Å; V153-C157 PolarHBondContact O-N 2.82Å
154I89.1Confident87.2Confident9 Ų944.4 Ų44.45%0.04626%0.263CS..Hα-helixtrans-63.1-44175.1-66.5161.4000110.8F150 L151 T156 G158 V162 A184 I195F150-I154 HydrophobicContact CD1-CD1 3.73Å; F150-I154 HydrophobicContact CD1-CG1 4.29Å; F150-I154 HydrophobicContact CE1-CD1 3.71Å; F150-I154 HydrophobicContact CE1-CG1 4.1Å; F150-I154 HydrophobicContact CZ-CG1 4.47Å; F150-I154 WeakPolarHBondContact O-CG1 3.32Å; F150-I154 PolarHBondContact O-N 3.02Å; L151-I154 HydrophobicContact CD2-CD1 4.43Å; L151-I154 WeakPolarHBondContact O-CB 3.2Å; L151-I154 PolarHBondContact O-N 3.14Å; L151-I154 VanDerWaalsContact O-N 3.13Å; I154-T156 VanDerWaalsContact C-N 3.33Å; I154-T156 PolarHBondContact O-N 3.17Å; I154-G158 CarbonylContact O-C 3.59Å; I154-G158 WeakPolarHBondContact O-CA 3.48Å; I154-G158 PolarHBondContact O-N 3.33Å; I154-V162 HydrophobicContact CG1-CG2 4.18Å; I154-A184 HydrophobicContact CD1-CB 4.04Å; I154-I195 HydrophobicContact CD1-CD1 4.37Å
155D90Very high86.8Confident87 Ų8738.8 Ų38.847%0.46525%0.245SC..Hα-helixtrans-65.8-35.6178.7-78.9-37.8000112.1L151 S152 H191 R194L151-D155 PolarHBondContact O-N 3.11Å; S152-D155 PolarHBondContact O-N 3.08Å; D155-H191 IonicContact OD1-NE2 2.64Å; D155-H191 PolarHBondContact OD1-NE2 2.67Å; D155-H191 IonicContact OD2-CE1 2.75Å; D155-H191 IonicContact OD2-NE2 2.84Å; D155-H191 PolarHBondContact OD2-NE2 3.15Å; D155-R194 IonicContact OD1-CZ 3.82Å; D155-R194 IonicContact OD1-NH1 2.69Å; D155-R194 PolarHBondContact OD1-NH1 3.14Å
156T88.4Confident86.5Confident110 Ų11037.2 Ų37.268%0.67524%0.237SC*.Hα-helixtrans-81.1-45.7-177-540000112.7S152 V153 I154S152-T156 WeakPolarHBondContact O-CB 3.4Å; S152-T156 PolarHBondContact O-N 3.06Å; S152-T156 PolarHBondContact O-OG1 2.73Å; V153-T156 PolarHBondContact O-N 3.16Å; I154-T156 VanDerWaalsContact C-N 3.33Å; I154-T156 PolarHBondContact O-N 3.17Å
157C84.2Confident85.9Confident55 Ų5536.3 Ų36.337%0.37224%0.242SC..Hα-helixtrans-95.6-10.6-174.2-59.40000113.3W120 V153 A161W120-C157 PolarHBondContact NE1-SG 3.25Å; W120-C157 VanDerWaalsContact NE1-SG 3.44Å; V153-C157 WeakPolarHBondContact O-CB 3.38Å; V153-C157 PolarHBondContact O-N 2.82Å; C157-A161 HydrophobicContact CB-CB 4.11Å
158G82.7Confident85Confident22 Ų2237.9 Ų37.923%0.22727%0.265CS..Hα-helixtrans78153.8-174.900000113I154 A160 A161I154-G158 CarbonylContact O-C 3.59Å; I154-G158 WeakPolarHBondContact O-CA 3.48Å; I154-G158 PolarHBondContact O-N 3.33Å; G158-A160 PolarHBondContact O-N 3.24Å; G158-A161 PolarHBondContact O-N 3.45Å
159P79.3Confident84.2Confident55 Ų5536.4 Ų36.436%0.35725%0.253SS..Hα-helixtrans-60.7-31.817923.7-32.7000112.1A161 V162 L163P159-A161 VanDerWaalsContact C-N 3.35Å; P159-A161 PolarHBondContact O-N 2.97Å; P159-V162 WeakPolarHBondContact O-CB 3.49Å; P159-V162 PolarHBondContact O-N 3.09Å; P159-V162 VanDerWaalsContact O-N 3.1Å; P159-L163 WeakPolarHBondContact O-CD2 3.33Å; P159-L163 VanDerWaalsContact O-CG 3.23Å; P159-L163 WeakPolarHBondContact O-CG 3.45Å; P159-L163 PolarHBondContact O-N 2.96Å; P159-L163 VanDerWaalsContact O-N 3.14Å
160A81.5Confident83.7Confident63 Ų6338.1 Ų38.152%0.52127%0.271SS..Hα-helixtrans-55.5-42.3179.400000113.6G158 V162 L163 E164G158-A160 PolarHBondContact O-N 3.24Å; A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 3.25Å; A160-L163 VanDerWaalsContact O-CB 3.29Å; A160-L163 WeakPolarHBondContact O-CB 3.35Å; A160-L163 PolarHBondContact O-N 3.23Å; A160-E164 PolarHBondContact O-N 2.99Å; A160-E164 VanDerWaalsContact O-N 3.12Å
161A82.8Confident83.4Confident35 Ų3540.6 Ų40.629%0.28929%0.289SS..Hα-helixtrans-65.1-35.4178.800000112W120 C157 G158 P159 L163 G165W120-A161 HydrophobicContact CZ2-CB 4.09Å; C157-A161 HydrophobicContact CB-CB 4.11Å; G158-A161 PolarHBondContact O-N 3.45Å; P159-A161 VanDerWaalsContact C-N 3.35Å; P159-A161 PolarHBondContact O-N 2.97Å; A161-L163 VanDerWaalsContact C-N 3.29Å; A161-L163 PolarHBondContact O-N 3.38Å; A161-G165 PolarHBondContact O-N 3.23Å
162V81.7Confident83.3Confident7 Ų747.8 Ų47.84%0.04231%0.314CS..Hα-helixtrans-65.7-35173.3-175.50000111W120 F150 I154 P159 A160 G165 I166 V181W120-V162 HydrophobicContact CH2-CB 4.35Å; W120-V162 HydrophobicContact CH2-CG2 3.89Å; W120-V162 HydrophobicContact CZ2-CG2 4.27Å; W120-V162 HydrophobicContact CZ3-CG2 4.49Å; F150-V162 HydrophobicContact CZ-CG1 4.1Å; F150-V162 HydrophobicContact CZ-CG2 4.32Å; I154-V162 HydrophobicContact CG1-CG2 4.18Å; P159-V162 WeakPolarHBondContact O-CB 3.49Å; P159-V162 PolarHBondContact O-N 3.09Å; P159-V162 VanDerWaalsContact O-N 3.1Å; A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 3.25Å; V162-G165 PolarHBondContact O-N 3.47Å; V162-I166 HydrophobicContact CG1-CD1 4.48Å; V162-I166 PolarHBondContact O-N 2.92Å; V162-V181 HydrophobicContact CG1-CG2 3.88Å
163L76.1Confident83.3Confident13 Ų1346.7 Ų46.77%0.06831%0.307CS..Hα-helixtrans-64.6-49177.6-45.4-172.7000111.1P159 A160 A161 G165 I166 G167 S198 D200 L201 K204P159-L163 WeakPolarHBondContact O-CD2 3.33Å; P159-L163 VanDerWaalsContact O-CG 3.23Å; P159-L163 WeakPolarHBondContact O-CG 3.45Å; P159-L163 PolarHBondContact O-N 2.96Å; P159-L163 VanDerWaalsContact O-N 3.14Å; A160-L163 VanDerWaalsContact O-CB 3.29Å; A160-L163 WeakPolarHBondContact O-CB 3.35Å; A160-L163 PolarHBondContact O-N 3.23Å; A161-L163 VanDerWaalsContact C-N 3.29Å; A161-L163 PolarHBondContact O-N 3.38Å; L163-G165 PolarHBondContact O-N 3.2Å; L163-I166 PolarHBondContact O-N 3.45Å; L163-I166 VanDerWaalsContact O-N 3.13Å; L163-G167 PolarHBondContact O-N 2.83Å; L163-G167 VanDerWaalsContact O-N 3.17Å; L163-S198 VanDerWaalsContact CD1-OG 3.32Å; L163-S198 WeakPolarHBondContact CD1-OG 3.27Å; L163-D200 HydrophobicContact CD1-CB 4.33Å; L163-L201 HydrophobicContact CD1-CB 4.44Å; L163-L201 HydrophobicContact CD2-CB 3.38Å; L163-L201 HydrophobicContact CD2-CD1 3.34Å; L163-L201 HydrophobicContact CD2-CD2 4.08Å; L163-L201 HydrophobicContact CD2-CG 3.72Å; L163-L201 HydrophobicContact CG-CB 4.5Å; L163-K204 HydrophobicContact CB-CD 3.96Å; L163-K204 VanDerWaalsContact O-CD 3.29Å; L163-K204 WeakPolarHBondContact O-CD 3.29Å
164E82.8Confident83.3Confident124 Ų12448 Ų4858%0.57931%0.312SS*.Hα-helixtrans-58.7-38.9177.9-68.6-51.8119.900111.6A160 I166 G167 G168 K204A160-E164 PolarHBondContact O-N 2.99Å; A160-E164 VanDerWaalsContact O-N 3.12Å; E164-I166 VanDerWaalsContact C-N 3.3Å; E164-I166 PolarHBondContact O-N 3.3Å; E164-G167 PolarHBondContact O-N 2.98Å; E164-G168 PolarHBondContact O-N 3.49Å; E164-K204 IonicContact OE1-NZ 3.85Å; E164-K204 PolarHBondContact OE1-NZ 3.07Å
165G81Confident83.4Confident10 Ų1049.1 Ų49.110%0.10332%0.318CS..Hα-helixtrans-60-34.5175.500000114.3A161 V162 L163 A169 L177A161-G165 PolarHBondContact O-N 3.23Å; V162-G165 PolarHBondContact O-N 3.47Å; L163-G165 PolarHBondContact O-N 3.2Å; G165-A169 WeakPolarHBondContact O-CB 3.48Å; G165-L177 VanDerWaalsContact O-CD1 3.29Å; G165-L177 WeakPolarHBondContact O-CD1 3.36Å
166I83.8Confident83.6Confident0 Ų046.6 Ų46.60%030%0.303CS..Hα-helixtrans-77.5-40.4178.9-65.8168.8000111.1V162 L163 E164 Q174 L177 V181 L201 K204V162-I166 HydrophobicContact CG1-CD1 4.48Å; V162-I166 PolarHBondContact O-N 2.92Å; L163-I166 PolarHBondContact O-N 3.45Å; L163-I166 VanDerWaalsContact O-N 3.13Å; E164-I166 VanDerWaalsContact C-N 3.3Å; E164-I166 PolarHBondContact O-N 3.3Å; I166-Q174 PolarHBondContact O-NE2 3.47Å; I166-L177 HydrophobicContact CG1-CB 4.07Å; I166-L177 HydrophobicContact CG1-CD1 4.08Å; I166-V181 HydrophobicContact CD1-CG2 4.45Å; I166-L201 HydrophobicContact CD1-CD1 3.69Å; I166-K204 HydrophobicContact CG2-CB 4.29Å
167G76.9Confident83.8Confident44 Ų4441.4 Ų41.445%0.45427%0.271SS..Hα-helixtrans-73.8-34.4-173.600000115L163 E164L163-G167 PolarHBondContact O-N 2.83Å; L163-G167 VanDerWaalsContact O-N 3.17Å; E164-G167 PolarHBondContact O-N 2.98Å
168G71.6Confident84.2Confident71 Ų7138.8 Ų38.873%0.73225%0.253SS*.SBendtrans-103.81.2-173.200000116.1E164E164-G168 PolarHBondContact O-N 3.49Å
169A74Confident84.8Confident12 Ų1238.9 Ų38.910%0.09925%0.25CC..SBendtrans-105.6155.1-169.500000114.6G165 V173 Q174G165-A169 WeakPolarHBondContact O-CB 3.48Å; A169-V173 HydrophobicContact CB-CB 3.6Å; A169-V173 HydrophobicContact CB-CG1 3.37Å; A169-V173 HydrophobicContact CB-CG2 4.3Å; A169-Q174 PolarHBondContact O-NE2 3.1Å
170G84.3Confident85.4Confident37 Ų3736.3 Ų36.338%0.38123%0.233SC..  trans-63.3163.417500000113.2R172 V173 Q174G170-R172 PolarHBondContact O-N 2.9Å; G170-R172 VanDerWaalsContact O-N 3.09Å; G170-V173 PolarHBondContact O-N 3.1Å; G170-Q174 PolarHBondContact O-N 3.25Å
171S86.6Confident85.8Confident52 Ų5233.5 Ų33.536%0.36421%0.209SC..Hα-helixtrans-54.6-35.1-172.959.80000114.3Q175 T216S171-Q175 WeakPolarHBondContact O-CG 3.5Å; S171-Q175 PolarHBondContact O-N 3.02Å; S171-T216 PolarHBondContact O-OG1 3.02Å
172R89.6Confident86.2Confident173 Ų17332.6 Ų32.665%0.65320%0.202SC*.Hα-helixtrans-67-46.1177.1-69-171.4178.5-171.40.3112.6V133 G170 Q174 Q175 H176V133-R172 HydrophobicContact CG1-CB 4.26Å; G170-R172 PolarHBondContact O-N 2.9Å; G170-R172 VanDerWaalsContact O-N 3.09Å; R172-Q174 VanDerWaalsContact C-N 3.35Å; R172-Q175 PolarHBondContact O-N 3.35Å; R172-H176 PolarHBondContact O-CD2 3.27Å; R172-H176 PolarHBondContact O-N 3.03Å
173V90.8Very high86.6Confident1 Ų133.5 Ų33.51%0.00621%0.208CC..Hα-helixtrans-62.4-46.1176.9173.40000110.1F123 V133 I136 A169 G170 Q175 H176 L177F123-V173 HydrophobicContact CD2-CG1 4.41Å; F123-V173 HydrophobicContact CE2-CG1 3.5Å; F123-V173 VanDerWaalsContact CE2-CG1 3.5Å; F123-V173 HydrophobicContact CZ-CG1 3.89Å; V133-V173 HydrophobicContact CG2-CG2 3.75Å; I136-V173 HydrophobicContact CG2-CB 4.36Å; I136-V173 HydrophobicContact CG2-CG1 4.16Å; I136-V173 HydrophobicContact CG2-CG2 4.25Å; A169-V173 HydrophobicContact CB-CB 3.6Å; A169-V173 HydrophobicContact CB-CG1 3.37Å; A169-V173 HydrophobicContact CB-CG2 4.3Å; G170-V173 PolarHBondContact O-N 3.1Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 2.98Å; V173-H176 PolarHBondContact O-N 3.07Å; V173-H176 VanDerWaalsContact O-N 3.14Å; V173-L177 HydrophobicContact CG1-CD1 3.76Å; V173-L177 HydrophobicContact CG1-CG 4.28Å; V173-L177 PolarHBondContact O-N 3.21Å
174Q91.8Very high87.2Confident27 Ų2732.9 Ų32.913%0.12621%0.205CC..Hα-helixtrans-55.5-44.6176.4-70.9178.6-26.800111.6I166 A169 G170 R172 H176 L177 L178 T216I166-Q174 PolarHBondContact O-NE2 3.47Å; A169-Q174 PolarHBondContact O-NE2 3.1Å; G170-Q174 PolarHBondContact O-N 3.25Å; R172-Q174 VanDerWaalsContact C-N 3.35Å; Q174-H176 VanDerWaalsContact C-N 3.33Å; Q174-H176 PolarHBondContact O-N 3.32Å; Q174-L177 PolarHBondContact O-N 3.32Å; Q174-L178 VanDerWaalsContact O-CB 3.31Å; Q174-L178 WeakPolarHBondContact O-CB 3.43Å; Q174-L178 WeakPolarHBondContact O-CD1 3.31Å; Q174-L178 WeakPolarHBondContact O-CG 3.13Å; Q174-L178 PolarHBondContact O-N 3.13Å; Q174-T216 HydrophobicContact CB-CG2 4.1Å
175Q92.7Very high87.4Confident33 Ų3327.2 Ų27.215%0.15418%0.179CC..Hα-helixtrans-59.6-41.4178.3-7516627.800112.9S171 R172 V173 T179 S213 M215 T216 K219S171-Q175 WeakPolarHBondContact O-CG 3.5Å; S171-Q175 PolarHBondContact O-N 3.02Å; R172-Q175 PolarHBondContact O-N 3.35Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 2.98Å; Q175-T179 PolarHBondContact O-N 2.95Å; Q175-T179 PolarHBondContact O-OG1 3.44Å; Q175-S213 PolarHBondContact NE2-OG 3.48Å; Q175-M215 HydrophobicContact CG-CB 4.49Å; Q175-M215 HydrophobicContact CG-CG 4.31Å; Q175-T216 VanDerWaalsContact CG-OG1 3.29Å; Q175-T216 WeakPolarHBondContact CG-OG1 3.4Å; Q175-T216 PolarHBondContact NE2-OG1 3.13Å; Q175-K219 HydrophobicContact CB-CD 4.04Å; Q175-K219 HydrophobicContact CG-CD 4.33Å; Q175-K219 WeakPolarHBondContact O-CD 3.41Å; Q175-K219 PolarHBondContact O-NZ 3.49Å; Q175-K219 VanDerWaalsContact O-NZ 3.11Å
176H93Very high87.9Confident35 Ų3532.8 Ų32.816%0.16221%0.205CC..Hα-helixtrans-72.7-43.5179.3-70.5-62000111.9I136 S137 S140 R172 V173 Q174 T179 A180I136-H176 HydrophobicContact CG1-CB 4.18Å; I136-H176 HydrophobicContact CG2-CB 3.94Å; S137-H176 PolarHBondContact OG-CE1 3.2Å; S140-H176 PolarHBondContact OG-O 3.29Å; R172-H176 PolarHBondContact O-CD2 3.27Å; R172-H176 PolarHBondContact O-N 3.03Å; V173-H176 PolarHBondContact O-N 3.07Å; V173-H176 VanDerWaalsContact O-N 3.14Å; Q174-H176 VanDerWaalsContact C-N 3.33Å; Q174-H176 PolarHBondContact O-N 3.32Å; H176-T179 WeakPolarHBondContact O-CB 3.28Å; H176-T179 PolarHBondContact O-N 3.32Å; H176-A180 PolarHBondContact O-N 3.34Å
177L92.7Very high88.1Confident0 Ų035.3 Ų35.30%023%0.226CC..Hα-helixtrans-60-47.8175.2-77.1172.5000112.1W120 F123 I136 G165 I166 V173 Q174 T179 A180 V181W120-L177 HydrophobicContact CH2-CD2 4.28Å; W120-L177 HydrophobicContact CZ3-CD2 3.82Å; F123-L177 HydrophobicContact CZ-CD1 4.17Å; I136-L177 HydrophobicContact CD1-CD2 3.39Å; I136-L177 HydrophobicContact CD1-CG 3.97Å; I136-L177 HydrophobicContact CG1-CD2 3.85Å; I136-L177 HydrophobicContact CG1-CG 3.84Å; G165-L177 VanDerWaalsContact O-CD1 3.29Å; G165-L177 WeakPolarHBondContact O-CD1 3.36Å; I166-L177 HydrophobicContact CG1-CB 4.07Å; I166-L177 HydrophobicContact CG1-CD1 4.08Å; V173-L177 HydrophobicContact CG1-CD1 3.76Å; V173-L177 HydrophobicContact CG1-CG 4.28Å; V173-L177 PolarHBondContact O-N 3.21Å; Q174-L177 PolarHBondContact O-N 3.32Å; L177-T179 PolarHBondContact O-N 2.96Å; L177-A180 PolarHBondContact O-N 3.46Å; L177-A180 VanDerWaalsContact O-N 3.17Å; L177-V181 WeakPolarHBondContact O-CB 3.49Å; L177-V181 VanDerWaalsContact O-CG2 3.3Å; L177-V181 WeakPolarHBondContact O-CG2 3.38Å; L177-V181 PolarHBondContact O-N 3.33Å
178L93.6Very high88.6Confident0 Ų034.2 Ų34.20%021%0.212CC..Hα-helixtrans-59.5-35.9177.5-70.4168.2000111.6Q174 A182 V205 C208 T216 K219 A220 V223Q174-L178 VanDerWaalsContact O-CB 3.31Å; Q174-L178 WeakPolarHBondContact O-CB 3.43Å; Q174-L178 WeakPolarHBondContact O-CD1 3.31Å; Q174-L178 WeakPolarHBondContact O-CG 3.13Å; Q174-L178 PolarHBondContact O-N 3.13Å; L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 3.5Å; L178-V205 HydrophobicContact CD2-CG1 4.34Å; L178-V205 HydrophobicContact CD2-CG2 4.22Å; L178-C208 HydrophobicContact CD1-CB 4.36Å; L178-T216 HydrophobicContact CD1-CG2 4.2Å; L178-K219 HydrophobicContact CB-CB 3.96Å; L178-K219 HydrophobicContact CD1-CB 4.14Å; L178-A220 HydrophobicContact CD1-CB 4.11Å; L178-V223 HydrophobicContact CB-CG2 4.21Å; L178-V223 HydrophobicContact CD2-CB 4.41Å; L178-V223 HydrophobicContact CD2-CG2 4.02Å; L178-V223 VanDerWaalsContact O-CG2 3.27Å; L178-V223 WeakPolarHBondContact O-CG2 3.09Å
179T93.4Very high89.1Confident25 Ų2538 Ų3815%0.15321%0.21CC..Hα-helixtrans-68.4-46.7175.9-49.50000111.3Q175 H176 L177 V181 A182 S183 K219Q175-T179 PolarHBondContact O-N 2.95Å; Q175-T179 PolarHBondContact O-OG1 3.44Å; H176-T179 WeakPolarHBondContact O-CB 3.28Å; H176-T179 PolarHBondContact O-N 3.32Å; L177-T179 PolarHBondContact O-N 2.96Å; T179-V181 VanDerWaalsContact C-N 3.34Å; T179-V181 PolarHBondContact O-N 2.86Å; T179-A182 PolarHBondContact O-N 2.74Å; T179-S183 PolarHBondContact O-N 3.26Å; T179-S183 PolarHBondContact O-OG 2.99Å; T179-K219 WeakPolarHBondContact OG1-CD 3.15Å; T179-K219 WeakPolarHBondContact OG1-CE 3.3Å; T179-K219 PolarHBondContact OG1-NZ 2.96Å
180A91.9Very high89.6Confident1 Ų142.5 Ų42.51%0.00823%0.232CC..Hα-helixtrans-63-41.4179.200000111.6T143 F150 H176 L177 S183 A184T143-A180 HydrophobicContact CG2-CB 4.36Å; F150-A180 HydrophobicContact CD1-CB 3.85Å; F150-A180 WeakPolarHBondContact CD1-O 3.22Å; F150-A180 HydrophobicContact CD2-CB 4.06Å; F150-A180 HydrophobicContact CE1-CB 3.81Å; F150-A180 HydrophobicContact CE2-CB 4.03Å; F150-A180 HydrophobicContact CG-CB 3.99Å; F150-A180 HydrophobicContact CZ-CB 3.91Å; H176-A180 PolarHBondContact O-N 3.34Å; L177-A180 PolarHBondContact O-N 3.46Å; L177-A180 VanDerWaalsContact O-N 3.17Å; A180-S183 PolarHBondContact O-N 2.73Å; A180-A184 WeakPolarHBondContact O-CB 3.39Å; A180-A184 PolarHBondContact O-N 2.97Å
181V90.4Very high89.5Confident4 Ų441.4 Ų41.42%0.02422%0.217CC..Hα-helixtrans-61.9-47.4173.9171.50000110.8F150 V162 I166 L177 T179 S183 A184 L185 V223F150-V181 HydrophobicContact CE1-CG2 3.95Å; F150-V181 HydrophobicContact CZ-CG2 4.28Å; V162-V181 HydrophobicContact CG1-CG2 3.88Å; I166-V181 HydrophobicContact CD1-CG2 4.45Å; L177-V181 WeakPolarHBondContact O-CB 3.49Å; L177-V181 VanDerWaalsContact O-CG2 3.3Å; L177-V181 WeakPolarHBondContact O-CG2 3.38Å; L177-V181 PolarHBondContact O-N 3.33Å; T179-V181 VanDerWaalsContact C-N 3.34Å; T179-V181 PolarHBondContact O-N 2.86Å; V181-S183 VanDerWaalsContact C-N 3.35Å; V181-S183 PolarHBondContact O-N 3.1Å; V181-A184 PolarHBondContact O-N 3.12Å; V181-L185 HydrophobicContact CG1-CD1 3.91Å; V181-L185 HydrophobicContact CG1-CG 4.22Å; V181-L185 VanDerWaalsContact O-CG 3.27Å; V181-L185 WeakPolarHBondContact O-CG 3.43Å; V181-L185 PolarHBondContact O-N 3.5Å; V181-V223 HydrophobicContact CG1-CG1 4.15Å
182A91.9Very high89.3Confident16 Ų1639.9 Ų39.913%0.13220%0.203CC..Hα-helixtrans-57.6-46.317700000112.1L178 T179 A184 L185 L186 V223 L226L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 3.5Å; T179-A182 PolarHBondContact O-N 2.74Å; A182-A184 PolarHBondContact O-N 2.71Å; A182-L185 PolarHBondContact O-N 3.33Å; A182-L186 WeakPolarHBondContact O-CG 3.38Å; A182-L186 PolarHBondContact O-N 2.89Å; A182-V223 HydrophobicContact CB-CG2 4.01Å; A182-L226 HydrophobicContact CB-CD1 3.83Å
183S90.4Very high88.9Confident25 Ų2537.2 Ų37.218%0.17520%0.198CC..Hα-helixtrans-60.5-42.2176.1-66.10000112.7T179 A180 V181 L186 A187T179-S183 PolarHBondContact O-N 3.26Å; T179-S183 PolarHBondContact O-OG 2.99Å; A180-S183 PolarHBondContact O-N 2.73Å; V181-S183 VanDerWaalsContact C-N 3.35Å; V181-S183 PolarHBondContact O-N 3.1Å; S183-L186 PolarHBondContact O-N 3.45Å; S183-A187 WeakPolarHBondContact O-CB 3.46Å; S183-A187 PolarHBondContact O-N 3.02Å
184A87.4Confident88.4Confident0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-65.5-40.2176.800000112.9F150 L151 I154 A180 V181 A182 L186 A187 S188F150-A184 HydrophobicContact CD1-CB 3.89Å; L151-A184 HydrophobicContact CD2-CB 3.58Å; L151-A184 HydrophobicContact CG-CB 4.4Å; I154-A184 HydrophobicContact CD1-CB 4.04Å; A180-A184 WeakPolarHBondContact O-CB 3.39Å; A180-A184 PolarHBondContact O-N 2.97Å; V181-A184 PolarHBondContact O-N 3.12Å; A182-A184 PolarHBondContact O-N 2.71Å; A184-L186 VanDerWaalsContact C-N 3.31Å; A184-L186 PolarHBondContact O-N 3.02Å; A184-A187 PolarHBondContact O-N 3.26Å; A184-S188 PolarHBondContact O-N 2.99Å; A184-S188 VanDerWaalsContact O-N 3.1Å
185L88.7Confident87.6Confident6 Ų642.1 Ų42.13%0.03122%0.216CC..Hα-helixtrans-64.9-35.5176.8-68.9175.5000112.2V181 A182 K192 I195 V223 L226 L227V181-L185 HydrophobicContact CG1-CD1 3.91Å; V181-L185 HydrophobicContact CG1-CG 4.22Å; V181-L185 VanDerWaalsContact O-CG 3.27Å; V181-L185 WeakPolarHBondContact O-CG 3.43Å; V181-L185 PolarHBondContact O-N 3.5Å; A182-L185 PolarHBondContact O-N 3.33Å; L185-K192 HydrophobicContact CD2-CB 4.06Å; L185-K192 HydrophobicContact CD2-CG 4.17Å; L185-I195 HydrophobicContact CD2-CB 4.12Å; L185-I195 HydrophobicContact CD2-CD1 3.84Å; L185-I195 HydrophobicContact CD2-CG2 4.08Å; L185-V223 HydrophobicContact CD1-CG1 4.34Å; L185-L226 HydrophobicContact CB-CB 4.4Å; L185-L226 HydrophobicContact CB-CD1 4.28Å; L185-L226 HydrophobicContact CD1-CB 4.08Å; L185-L227 HydrophobicContact CD1-CD2 3.78Å; L185-L227 HydrophobicContact CD1-CG 4.02Å; L185-L227 HydrophobicContact CD2-CD2 4.17Å
186L90.3Very high86.9Confident126 Ų12640.9 Ų40.966%0.6621%0.211SC*.Hα-helixtrans-71.1-34.2174.8-74.8169.8000112.5A182 S183 A184 L226A182-L186 WeakPolarHBondContact O-CG 3.38Å; A182-L186 PolarHBondContact O-N 2.89Å; S183-L186 PolarHBondContact O-N 3.45Å; A184-L186 VanDerWaalsContact C-N 3.31Å; A184-L186 PolarHBondContact O-N 3.02Å; L186-L226 HydrophobicContact CD1-CD1 4.41Å; L186-L226 HydrophobicContact CD2-CD1 4.45Å; L186-L226 HydrophobicContact CD2-CD2 3.56Å; L186-L226 HydrophobicContact CG-CD1 4.01Å; L186-L226 HydrophobicContact CG-CD2 4.05Å
187A89.3Confident86.2Confident53 Ų5345.6 Ų45.644%0.43823%0.233SC..Hα-helixtrans-83.9-27.3-174.500000114.4P147 L151 S183 A184P147-A187 HydrophobicContact CB-CB 3.29Å; P147-A187 HydrophobicContact CG-CB 3.68Å; L151-A187 HydrophobicContact CD1-CB 4.44Å; S183-A187 WeakPolarHBondContact O-CB 3.46Å; S183-A187 PolarHBondContact O-N 3.02Å; A184-A187 PolarHBondContact O-N 3.26Å
188S86.4Confident85.7Confident22 Ų2247 Ų4715%0.15424%0.242CC..  trans-140.5114.8-173.1-174.60000114.2A184 I190 H191 K192A184-S188 PolarHBondContact O-N 2.99Å; A184-S188 VanDerWaalsContact O-N 3.1Å; S188-I190 VanDerWaalsContact C-N 3.31Å; S188-I190 PolarHBondContact O-N 3.33Å; S188-H191 PolarHBondContact O-N 3.04Å; S188-H191 PolarHBondContact OG-ND1 2.96Å; S188-K192 WeakPolarHBondContact O-CB 3.14Å; S188-K192 PolarHBondContact O-N 3.43Å
189H82.8Confident85.2Confident149 Ų14954.5 Ų54.569%0.6927%0.271SS*.Hα-helixtrans-62.8-33.8173.6-69.8-74.8000113.3K192 H193H189-K192 WeakPolarHBondContact O-CB 3.24Å; H189-K192 PolarHBondContact O-N 3.04Å; H189-H193 PolarHBondContact O-N 3.35Å
190I84.2Confident84.9Confident108 Ų10856.3 Ų56.355%0.55428%0.279SS*.Hα-helixtrans-64-47.1179-61.9171.9000109.8S188 H193 R194S188-I190 VanDerWaalsContact C-N 3.31Å; S188-I190 PolarHBondContact O-N 3.33Å; I190-H193 PolarHBondContact O-N 3.07Å; I190-R194 WeakPolarHBondContact O-CG 3.34Å; I190-R194 PolarHBondContact O-N 3.04Å
191H81.6Confident84.4Confident14 Ų1456.5 Ų56.57%0.06528%0.28CS..Hα-helixtrans-67.5-40.3177.6-70.285.2000111.3L151 D155 S188 H193 R194 I195L151-H191 HydrophobicContact CD2-CB 3.99Å; D155-H191 IonicContact OD1-NE2 2.64Å; D155-H191 PolarHBondContact OD1-NE2 2.67Å; D155-H191 IonicContact OD2-CE1 2.75Å; D155-H191 IonicContact OD2-NE2 2.84Å; D155-H191 PolarHBondContact OD2-NE2 3.15Å; S188-H191 PolarHBondContact O-N 3.04Å; S188-H191 PolarHBondContact OG-ND1 2.96Å; H191-H193 VanDerWaalsContact C-N 3.29Å; H191-H193 PolarHBondContact O-N 2.89Å; H191-R194 PolarHBondContact O-N 3.16Å; H191-I195 HydrophobicContact CB-CD1 4.39Å; H191-I195 WeakPolarHBondContact O-CB 3.37Å; H191-I195 WeakPolarHBondContact O-CG1 3.1Å; H191-I195 PolarHBondContact O-N 2.9Å
192K81.9Confident84.3Confident19 Ų1956.3 Ų56.38%0.08328%0.279CS..Hα-helixtrans-53.3-46.7171.6-173.6176-174.31730111.7L185 S188 H189 I195 T196 L226 D230L185-K192 HydrophobicContact CD2-CB 4.06Å; L185-K192 HydrophobicContact CD2-CG 4.17Å; S188-K192 WeakPolarHBondContact O-CB 3.14Å; S188-K192 PolarHBondContact O-N 3.43Å; H189-K192 WeakPolarHBondContact O-CB 3.24Å; H189-K192 PolarHBondContact O-N 3.04Å; K192-I195 PolarHBondContact O-N 3.4Å; K192-T196 HydrophobicContact CG-CG2 4.5Å; K192-T196 WeakPolarHBondContact O-CB 2.99Å; K192-T196 WeakPolarHBondContact O-CG2 3.31Å; K192-T196 PolarHBondContact O-N 3.02Å; K192-T196 PolarHBondContact O-OG1 3.42Å; K192-L226 WeakPolarHBondContact CE-O 3.47Å; K192-L226 PolarHBondContact NZ-O 3.45Å; K192-D230 WeakPolarHBondContact CE-OD2 3.44Å; K192-D230 IonicContact NZ-OD1 2.71Å; K192-D230 IonicContact NZ-OD2 2.67Å; K192-D230 PolarHBondContact NZ-OD2 3.41Å
193H81.4Confident84.2Confident118 Ų11857.7 Ų57.755%0.54628%0.284SS..Hα-helixtrans-66.1-43.9177-172.3-88.5000113H189 I190 H191 I195 T196 Q197H189-H193 PolarHBondContact O-N 3.35Å; I190-H193 PolarHBondContact O-N 3.07Å; H191-H193 VanDerWaalsContact C-N 3.29Å; H191-H193 PolarHBondContact O-N 2.89Å; H193-I195 VanDerWaalsContact C-N 3.33Å; H193-I195 PolarHBondContact O-N 3.05Å; H193-T196 WeakPolarHBondContact CA-OG1 3.32Å; H193-T196 PolarHBondContact O-OG1 3.4Å; H193-Q197 PolarHBondContact CE1-NE2 3.06Å; H193-Q197 PolarHBondContact ND1-NE2 3.14Å; H193-Q197 WeakPolarHBondContact O-CG 3.37Å; H193-Q197 PolarHBondContact O-N 3.38Å
194R79.9Confident84.2Confident122 Ų12257.1 Ų57.146%0.4628%0.278SS..Hα-helixtrans-63.1-39.9176.5-69.8-178-166.9166.74.1112.4D155 I190 H191D155-R194 IonicContact OD1-CZ 3.82Å; D155-R194 IonicContact OD1-NH1 2.69Å; D155-R194 PolarHBondContact OD1-NH1 3.14Å; I190-R194 WeakPolarHBondContact O-CG 3.34Å; I190-R194 PolarHBondContact O-N 3.04Å; H191-R194 PolarHBondContact O-N 3.16Å
195I76.6Confident84.4Confident8 Ų857.1 Ų57.14%0.04128%0.278CS..Hα-helixtrans-73.1-42.3-177.2-71.4172.7000110.9I154 L185 H191 K192 H193 Q197 S198 L201 L227I154-I195 HydrophobicContact CD1-CD1 4.37Å; L185-I195 HydrophobicContact CD2-CB 4.12Å; L185-I195 HydrophobicContact CD2-CD1 3.84Å; L185-I195 HydrophobicContact CD2-CG2 4.08Å; H191-I195 HydrophobicContact CB-CD1 4.39Å; H191-I195 WeakPolarHBondContact O-CB 3.37Å; H191-I195 WeakPolarHBondContact O-CG1 3.1Å; H191-I195 PolarHBondContact O-N 2.9Å; K192-I195 PolarHBondContact O-N 3.4Å; H193-I195 VanDerWaalsContact C-N 3.33Å; H193-I195 PolarHBondContact O-N 3.05Å; I195-Q197 PolarHBondContact O-N 2.87Å; I195-S198 WeakPolarHBondContact O-CB 3.3Å; I195-S198 PolarHBondContact O-N 3.41Å; I195-L201 HydrophobicContact CG2-CD2 3.11Å; I195-L227 HydrophobicContact CG2-CD2 3.92Å
196T76.4Confident84.6Confident8 Ų857.1 Ų57.15%0.04928%0.278CS..Hα-helixtrans-64.1-21177.448.20000113.3K192 H193 S198 L227K192-T196 HydrophobicContact CG-CG2 4.5Å; K192-T196 WeakPolarHBondContact O-CB 2.99Å; K192-T196 WeakPolarHBondContact O-CG2 3.31Å; K192-T196 PolarHBondContact O-N 3.02Å; K192-T196 PolarHBondContact O-OG1 3.42Å; H193-T196 WeakPolarHBondContact CA-OG1 3.32Å; H193-T196 PolarHBondContact O-OG1 3.4Å; T196-S198 PolarHBondContact O-N 2.92Å; T196-L227 HydrophobicContact CG2-CB 4.49Å; T196-L227 HydrophobicContact CG2-CD2 3.73Å
197Q79.5Confident84.7Confident133 Ų13357.4 Ų57.462%0.62127%0.271SS*.THydrogen-bonded Turntrans-69.5-20.4171.5-70.9174.9-6.400113.4H193 I195 R199H193-Q197 PolarHBondContact CE1-NE2 3.06Å; H193-Q197 PolarHBondContact ND1-NE2 3.14Å; H193-Q197 WeakPolarHBondContact O-CG 3.37Å; H193-Q197 PolarHBondContact O-N 3.38Å; I195-Q197 PolarHBondContact O-N 2.87Å; Q197-R199 PolarHBondContact O-N 3.36Å
198S81.3Confident84.8Confident29 Ų2955 Ų5520%0.20325%0.251CS..  trans-8797.7-179.6-175.10000111.8L163 I195 T196 D200 L201L163-S198 VanDerWaalsContact CD1-OG 3.32Å; L163-S198 WeakPolarHBondContact CD1-OG 3.27Å; I195-S198 WeakPolarHBondContact O-CB 3.3Å; I195-S198 PolarHBondContact O-N 3.41Å; T196-S198 PolarHBondContact O-N 2.92Å; S198-D200 VanDerWaalsContact C-N 3.26Å; S198-D200 PolarHBondContact O-N 2.7Å; S198-L201 WeakPolarHBondContact O-CB 3.48Å; S198-L201 PolarHBondContact O-N 3.47Å; S198-L201 PolarHBondContact OG-N 3.47Å
199R84.4Confident85.2Confident158 Ų15854 Ų5460%0.59624%0.244SC*.Hα-helixtrans-61.8-33.2173.3-71.3-176.3178.8177.4-1.2113Q197 L201 V202 L203 Y237Q197-R199 PolarHBondContact O-N 3.36Å; R199-L201 VanDerWaalsContact C-N 3.31Å; R199-L201 PolarHBondContact O-N 3Å; R199-V202 PolarHBondContact O-N 3.26Å; R199-L203 PolarHBondContact O-N 3.4Å; R199-Y237 HydrophobicContact CB-CD1 4.49Å; R199-Y237 HydrophobicContact CB-CE1 3.81Å; R199-Y237 HydrophobicContact CB-CE2 4.45Å; R199-Y237 HydrophobicContact CG-CD1 4.33Å; R199-Y237 HydrophobicContact CG-CE1 4.1Å; R199-Y237 HydrophobicContact CG-CE2 4.32Å
200D85.4Confident85.6Confident63 Ų6352.2 Ų52.234%0.33724%0.236SC..Hα-helixtrans-62.7-37.3177.5-179.456.3000112.2L163 S198 V202 L203 K204L163-D200 HydrophobicContact CD1-CB 4.33Å; S198-D200 VanDerWaalsContact C-N 3.26Å; S198-D200 PolarHBondContact O-N 2.7Å; D200-V202 VanDerWaalsContact C-N 3.32Å; D200-V202 PolarHBondContact O-N 3.25Å; D200-L203 PolarHBondContact O-N 3.19Å; D200-K204 WeakPolarHBondContact O-CG 3.49Å; D200-K204 PolarHBondContact O-N 2.98Å; D200-K204 WeakPolarHBondContact OD2-CE 3.25Å; D200-K204 IonicContact OD2-NZ 3.32Å; D200-K204 PolarHBondContact OD2-NZ 3.2Å
201L83.4Confident85.9Confident5 Ų547.8 Ų47.83%0.02621%0.214CC..Hα-helixtrans-58-49.3173.7178.357.6000110.9L163 I166 I195 S198 R199 L203 K204 V205L163-L201 HydrophobicContact CD1-CB 4.44Å; L163-L201 HydrophobicContact CD2-CB 3.38Å; L163-L201 HydrophobicContact CD2-CD1 3.34Å; L163-L201 HydrophobicContact CD2-CD2 4.08Å; L163-L201 HydrophobicContact CD2-CG 3.72Å; L163-L201 HydrophobicContact CG-CB 4.5Å; I166-L201 HydrophobicContact CD1-CD1 3.69Å; I195-L201 HydrophobicContact CG2-CD2 3.11Å; S198-L201 WeakPolarHBondContact O-CB 3.48Å; S198-L201 PolarHBondContact O-N 3.47Å; S198-L201 PolarHBondContact OG-N 3.47Å; R199-L201 VanDerWaalsContact C-N 3.31Å; R199-L201 PolarHBondContact O-N 3Å; L201-L203 VanDerWaalsContact C-N 3.28Å; L201-L203 PolarHBondContact O-N 3Å; L201-K204 PolarHBondContact O-N 3.39Å; L201-V205 HydrophobicContact CD1-CG2 3.86Å; L201-V205 HydrophobicContact CG-CG2 4.17Å; L201-V205 WeakPolarHBondContact O-CG2 3.33Å; L201-V205 PolarHBondContact O-N 2.9Å
202V87.6Confident86.2Confident1 Ų153.1 Ų53.11%0.00625%0.25CS..Hα-helixtrans-62.9-39.8-176.2176.90000110.7R199 D200 K204 V205 L206 L224 L227 M234 Y237 C238R199-V202 PolarHBondContact O-N 3.26Å; D200-V202 VanDerWaalsContact C-N 3.32Å; D200-V202 PolarHBondContact O-N 3.25Å; V202-K204 VanDerWaalsContact C-N 3.33Å; V202-K204 PolarHBondContact O-N 2.95Å; V202-V205 PolarHBondContact O-N 3.22Å; V202-L206 HydrophobicContact CG1-CD1 4.06Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CB 3.45Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 3.27Å; V202-L224 HydrophobicContact CG1-CD2 4.32Å; V202-L227 HydrophobicContact CG2-CD1 4.07Å; V202-M234 HydrophobicContact CB-CE 3.87Å; V202-M234 HydrophobicContact CG1-CE 4.22Å; V202-M234 HydrophobicContact CG2-CE 3.13Å; V202-Y237 HydrophobicContact CB-CD1 4.32Å; V202-Y237 HydrophobicContact CB-CE1 4.34Å; V202-Y237 HydrophobicContact CG1-CD1 4.03Å; V202-Y237 HydrophobicContact CG1-CE1 4.36Å; V202-C238 WeakPolarHBondContact CG1-SG 3.38Å
203L89.8Confident86.5Confident44 Ų4453.8 Ų53.823%0.2326%0.257CS..Hα-helixtrans-61.4-39.5172.3-69.6-178.1000113.1R199 D200 L201 R207 Y237 H241R199-L203 PolarHBondContact O-N 3.4Å; D200-L203 PolarHBondContact O-N 3.19Å; L201-L203 VanDerWaalsContact C-N 3.28Å; L201-L203 PolarHBondContact O-N 3Å; L203-R207 WeakPolarHBondContact O-CG 3.22Å; L203-R207 PolarHBondContact O-N 3.3Å; L203-R207 PolarHBondContact O-NE 3.35Å; L203-Y237 VanDerWaalsContact CD1-OH 3.27Å; L203-Y237 WeakPolarHBondContact CD1-OH 3.29Å; L203-Y237 HydrophobicContact CD2-CE1 4.01Å; L203-Y237 WeakPolarHBondContact CD2-OH 3.48Å; L203-Y237 HydrophobicContact CG-CE1 4.02Å; L203-Y237 VanDerWaalsContact CG-OH 3.25Å; L203-Y237 WeakPolarHBondContact CG-OH 3.4Å; L203-H241 HydrophobicContact CD2-CB 4.19Å
204K90.6Very high86.9Confident13 Ų1349.5 Ų49.56%0.05724%0.242CC..Hα-helixtrans-69.6-38.1177.2-72.6171.2172.4165.60111.7L163 E164 I166 D200 L201 V202 R207 C208L163-K204 HydrophobicContact CB-CD 3.96Å; L163-K204 VanDerWaalsContact O-CD 3.29Å; L163-K204 WeakPolarHBondContact O-CD 3.29Å; E164-K204 IonicContact OE1-NZ 3.85Å; E164-K204 PolarHBondContact OE1-NZ 3.07Å; I166-K204 HydrophobicContact CG2-CB 4.29Å; D200-K204 WeakPolarHBondContact O-CG 3.49Å; D200-K204 PolarHBondContact O-N 2.98Å; D200-K204 WeakPolarHBondContact OD2-CE 3.25Å; D200-K204 IonicContact OD2-NZ 3.32Å; D200-K204 PolarHBondContact OD2-NZ 3.2Å; L201-K204 PolarHBondContact O-N 3.39Å; V202-K204 VanDerWaalsContact C-N 3.33Å; V202-K204 PolarHBondContact O-N 2.95Å; K204-R207 WeakPolarHBondContact O-CB 3.15Å; K204-R207 PolarHBondContact O-N 3.29Å; K204-C208 PolarHBondContact O-N 3.4Å; K204-C208 VanDerWaalsContact O-N 3.16Å; K204-C208 PolarHBondContact O-SG 2.97Å; K204-C208 VanDerWaalsContact O-SG 3.36Å
205V91.6Very high87.4Confident0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-68-40.7174178.50000111.3L178 L201 V202 R207 C208 A220 V223 L224L178-V205 HydrophobicContact CD2-CG1 4.34Å; L178-V205 HydrophobicContact CD2-CG2 4.22Å; L201-V205 HydrophobicContact CD1-CG2 3.86Å; L201-V205 HydrophobicContact CG-CG2 4.17Å; L201-V205 WeakPolarHBondContact O-CG2 3.33Å; L201-V205 PolarHBondContact O-N 2.9Å; V202-V205 PolarHBondContact O-N 3.22Å; V205-R207 VanDerWaalsContact C-N 3.33Å; V205-R207 PolarHBondContact O-N 3.27Å; V205-C208 VanDerWaalsContact O-CB 3.25Å; V205-C208 WeakPolarHBondContact O-CB 3.3Å; V205-C208 PolarHBondContact O-N 2.97Å; V205-A220 HydrophobicContact CG1-CB 4.12Å; V205-V223 HydrophobicContact CG1-CB 4.25Å; V205-V223 HydrophobicContact CG1-CG1 4.1Å; V205-V223 HydrophobicContact CG2-CG1 4.12Å; V205-L224 HydrophobicContact CB-CD2 4.36Å; V205-L224 HydrophobicContact CG1-CD1 4.38Å; V205-L224 HydrophobicContact CG1-CD2 3.85Å; V205-L224 HydrophobicContact CG1-CG 3.73Å
206L92Very high88.1Confident6 Ų646.7 Ų46.73%0.03124%0.235CC..Hα-helixtrans-60.8-41.9173.3-75.9168.7000111.3V202 C208 L209 L224 H241 L243V202-L206 HydrophobicContact CG1-CD1 4.06Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CB 3.45Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.38Å; V202-L206 PolarHBondContact O-N 3.27Å; L206-C208 PolarHBondContact O-N 3.45Å; L206-L209 HydrophobicContact CD2-CD1 4.03Å; L206-L209 WeakPolarHBondContact O-CB 3.22Å; L206-L209 WeakPolarHBondContact O-CG 3.46Å; L206-L209 PolarHBondContact O-N 3Å; L206-L224 HydrophobicContact CD2-CD1 3.91Å; L206-L224 HydrophobicContact CD2-CD2 4.15Å; L206-L224 HydrophobicContact CG-CD2 4.24Å; L206-H241 HydrophobicContact CD1-CB 3.71Å; L206-L243 HydrophobicContact CD2-CB 4.44Å; L206-L243 HydrophobicContact CD2-CD1 4.06Å
207R92.2Very high88.9Confident132 Ų13247.5 Ų47.550%0.49824%0.237SC..Hα-helixtrans-59.7-30.8172.3-79-177.5-92.7177.9-9112.8L203 K204 V205 L209 E210L203-R207 WeakPolarHBondContact O-CG 3.22Å; L203-R207 PolarHBondContact O-N 3.3Å; L203-R207 PolarHBondContact O-NE 3.35Å; K204-R207 WeakPolarHBondContact O-CB 3.15Å; K204-R207 PolarHBondContact O-N 3.29Å; V205-R207 VanDerWaalsContact C-N 3.33Å; V205-R207 PolarHBondContact O-N 3.27Å; R207-L209 PolarHBondContact O-N 3.48Å; R207-E210 WeakPolarHBondContact O-CB 3.41Å; R207-E210 PolarHBondContact O-N 3.27Å
208C92.8Very high89.6Confident3 Ų341.1 Ų41.12%0.0221%0.208CC..Hα-helixtrans-63.9-21.5172.9-64.20000113.2L178 K204 V205 L206 E210 S211 T216 A220L178-C208 HydrophobicContact CD1-CB 4.36Å; K204-C208 PolarHBondContact O-N 3.4Å; K204-C208 VanDerWaalsContact O-N 3.16Å; K204-C208 PolarHBondContact O-SG 2.97Å; K204-C208 VanDerWaalsContact O-SG 3.36Å; V205-C208 VanDerWaalsContact O-CB 3.25Å; V205-C208 WeakPolarHBondContact O-CB 3.3Å; V205-C208 PolarHBondContact O-N 2.97Å; L206-C208 PolarHBondContact O-N 3.45Å; C208-E210 PolarHBondContact O-N 3.49Å; C208-S211 WeakPolarHBondContact O-CB 3.44Å; C208-S211 PolarHBondContact O-N 2.98Å; C208-T216 HydrophobicContact CB-CG2 4.18Å; C208-A220 HydrophobicContact CB-CB 3.79Å
209L93.1Very high90.2Very high0 Ų041.1 Ų41.10%020%0.204CC..THydrogen-bonded Turntrans-67.2-19.1171.1-58.1178.3000112L206 R207 S211 R217 A220 L221 L224 L243 Y246 R249L206-L209 HydrophobicContact CD2-CD1 4.03Å; L206-L209 WeakPolarHBondContact O-CB 3.22Å; L206-L209 WeakPolarHBondContact O-CG 3.46Å; L206-L209 PolarHBondContact O-N 3Å; R207-L209 PolarHBondContact O-N 3.48Å; L209-S211 VanDerWaalsContact C-N 3.28Å; L209-R217 WeakPolarHBondContact O-CD 2.98Å; L209-A220 HydrophobicContact CD2-CB 3.86Å; L209-L221 HydrophobicContact CD1-CD2 4.44Å; L209-L221 HydrophobicContact CD2-CD2 3.59Å; L209-L221 HydrophobicContact CD2-CG 3.81Å; L209-L224 HydrophobicContact CD1-CD1 3.73Å; L209-L224 HydrophobicContact CD2-CD1 4.31Å; L209-L224 HydrophobicContact CG-CD1 4.21Å; L209-L243 HydrophobicContact CD1-CD1 4.26Å; L209-Y246 HydrophobicContact CB-CD1 4.23Å; L209-Y246 HydrophobicContact CB-CD2 4.38Å; L209-Y246 HydrophobicContact CB-CG 4.03Å; L209-Y246 HydrophobicContact CD1-CD2 3.87Å; L209-Y246 HydrophobicContact CD1-CG 3.98Å; L209-R249 PolarHBondContact O-NH1 3.06Å; L209-R249 PolarHBondContact O-NH2 3.43Å
210E91.6Very high90.7Very high113 Ų11333.6 Ų33.653%0.52818%0.175SC..THydrogen-bonded Turntrans-80.8-9.4174.7-60.5-176.6159.200113.2R207 C208 Y246R207-E210 WeakPolarHBondContact O-CB 3.41Å; R207-E210 PolarHBondContact O-N 3.27Å; C208-E210 PolarHBondContact O-N 3.49Å; E210-Y246 HydrophobicContact CG-CE1 3.56Å; E210-Y246 PolarHBondContact OE1-OH 3.29Å
211S90.6Very high91.2Very high15 Ų1530.6 Ų30.611%0.10516%0.16CC..  trans-58.6140.2-177.4-1720000112.3C208 L209 S213 R217C208-S211 WeakPolarHBondContact O-CB 3.44Å; C208-S211 PolarHBondContact O-N 2.98Å; L209-S211 VanDerWaalsContact C-N 3.28Å; S211-S213 PolarHBondContact O-N 3.28Å; S211-S213 PolarHBondContact OG-N 3.19Å; S211-R217 WeakPolarHBondContact O-CD 3.42Å; S211-R217 WeakPolarHBondContact O-CG 3.33Å; S211-R217 PolarHBondContact O-NH1 3.4Å
212P87.8Confident91.7Very high126 Ų12632.2 Ų32.282%0.81817%0.168SC*.SBendtrans-64.7-24.6173.226.6-34.5000112.3A214 R217P212-A214 PolarHBondContact O-N 3.45Å; P212-R217 VanDerWaalsContact C-NH1 3.34Å; P212-R217 PolarHBondContact O-NH1 3.46Å
213S89.1Confident91.9Very high32 Ų3232.2 Ų32.222%0.22417%0.168CC..  trans-77.5117.8-178.9-177.80000112.2Q175 S211 M215 T216 R217Q175-S213 PolarHBondContact NE2-OG 3.48Å; S211-S213 PolarHBondContact O-N 3.28Å; S211-S213 PolarHBondContact OG-N 3.19Å; S213-M215 PolarHBondContact O-N 2.98Å; S213-T216 WeakPolarHBondContact CB-OG1 3.23Å; S213-T216 PolarHBondContact O-N 3.32Å; S213-T216 VanDerWaalsContact O-N 3.16Å; S213-R217 WeakPolarHBondContact O-CG 3.42Å; S213-R217 PolarHBondContact O-N 2.98Å; S213-R217 VanDerWaalsContact O-N 3.13Å
214A89.1Confident92.2Very high29 Ų2930.1 Ų30.124%0.2416%0.157CC..Hα-helixtrans-56.4-36.5174.500000112.6P212 R217 A218 L267P212-A214 PolarHBondContact O-N 3.45Å; A214-R217 PolarHBondContact O-N 3.42Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.89Å; A214-L267 HydrophobicContact CB-CD2 4.06Å
215M90.5Very high92.3Very high70 Ų7030.1 Ų30.135%0.34516%0.158SC..Hα-helixtrans-67.4-40.3178.4-166.468.6-169.500112.5Q175 S213 A218 K219 Y266Q175-M215 HydrophobicContact CG-CB 4.49Å; Q175-M215 HydrophobicContact CG-CG 4.31Å; S213-M215 PolarHBondContact O-N 2.98Å; M215-A218 PolarHBondContact O-N 2.93Å; M215-K219 HydrophobicContact CE-CD 4.33Å; M215-K219 HydrophobicContact CE-CG 4.29Å; M215-K219 WeakPolarHBondContact O-CG 3.45Å; M215-K219 PolarHBondContact O-N 2.95Å; M215-Y266 HydrophobicContact CE-CD1 3.6Å; M215-Y266 HydrophobicContact CE-CE1 3.4Å; M215-Y266 HydrophobicContact CE-CG 4.39Å; M215-Y266 HydrophobicContact SD-CD1 3.55Å; M215-Y266 VanDerWaalsContact SD-CD1 3.55Å; M215-Y266 HydrophobicContact SD-CE1 3.92Å; M215-Y266 HydrophobicContact SD-CG 4.4Å
216T92.3Very high92.3Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-63.4-45.2175.8-57.40000110.4S171 Q174 Q175 L178 C208 S213 K219 A220S171-T216 PolarHBondContact O-OG1 3.02Å; Q174-T216 HydrophobicContact CB-CG2 4.1Å; Q175-T216 VanDerWaalsContact CG-OG1 3.29Å; Q175-T216 WeakPolarHBondContact CG-OG1 3.4Å; Q175-T216 PolarHBondContact NE2-OG1 3.13Å; L178-T216 HydrophobicContact CD1-CG2 4.2Å; C208-T216 HydrophobicContact CB-CG2 4.18Å; S213-T216 WeakPolarHBondContact CB-OG1 3.23Å; S213-T216 PolarHBondContact O-N 3.32Å; S213-T216 VanDerWaalsContact O-N 3.16Å; T216-K219 PolarHBondContact O-N 3.27Å; T216-A220 WeakPolarHBondContact O-CB 3.34Å; T216-A220 PolarHBondContact O-N 3.24Å
217R93.1Very high92.2Very high25 Ų2530.7 Ų30.79%0.09416%0.16CC..Hα-helixtrans-60.7-46.5175.9-61.1-164.1-58.5-85-1.7111.8L209 S211 P212 S213 A214 K219 A220 L221 R249 D250 L267L209-R217 WeakPolarHBondContact O-CD 2.98Å; S211-R217 WeakPolarHBondContact O-CD 3.42Å; S211-R217 WeakPolarHBondContact O-CG 3.33Å; S211-R217 PolarHBondContact O-NH1 3.4Å; P212-R217 VanDerWaalsContact C-NH1 3.34Å; P212-R217 PolarHBondContact O-NH1 3.46Å; S213-R217 WeakPolarHBondContact O-CG 3.42Å; S213-R217 PolarHBondContact O-N 2.98Å; S213-R217 VanDerWaalsContact O-N 3.13Å; A214-R217 PolarHBondContact O-N 3.42Å; R217-K219 PolarHBondContact O-N 2.98Å; R217-A220 WeakPolarHBondContact O-CB 3.48Å; R217-A220 PolarHBondContact O-N 3.29Å; R217-A220 VanDerWaalsContact O-N 3.14Å; R217-L221 WeakPolarHBondContact O-CG 3.49Å; R217-L221 PolarHBondContact O-N 3Å; R217-R249 VanDerWaalsContact CD-NH2 3.33Å; R217-D250 WeakPolarHBondContact CD-OD2 3.31Å; R217-D250 IonicContact NE-OD1 2.85Å; R217-D250 IonicContact NE-OD2 3.73Å; R217-D250 PolarHBondContact NE-OD2 3Å; R217-D250 VanDerWaalsContact NE-OD2 3.16Å; R217-L267 HydrophobicContact CB-CD1 4.05Å
218A93.2Very high92.2Very high0 Ų024.6 Ų24.60%014%0.138CC..Hα-helixtrans-58.1-46.9179.400000112.4A214 M215 A220 L221 L222 Y266 L267 C270A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.89Å; M215-A218 PolarHBondContact O-N 2.93Å; A218-A220 VanDerWaalsContact C-N 3.34Å; A218-A220 PolarHBondContact O-N 3.46Å; A218-L221 WeakPolarHBondContact O-CB 3.48Å; A218-L221 PolarHBondContact O-N 3.26Å; A218-L222 PolarHBondContact O-N 2.91Å; A218-Y266 HydrophobicContact CB-CD1 3.51Å; A218-Y266 HydrophobicContact CB-CE1 3.7Å; A218-L267 HydrophobicContact CB-CB 4.08Å; A218-L267 HydrophobicContact CB-CD1 3.82Å; A218-C270 HydrophobicContact CB-CB 4.26Å
219K93.8Very high92Very high28 Ų2828.4 Ų28.412%0.12216%0.155CC..Hα-helixtrans-67.1-35177-67.6-177.1179.4-165.80112.5Q175 L178 T179 M215 T216 R217 L222 V223 Y266Q175-K219 HydrophobicContact CB-CD 4.04Å; Q175-K219 HydrophobicContact CG-CD 4.33Å; Q175-K219 WeakPolarHBondContact O-CD 3.41Å; Q175-K219 PolarHBondContact O-NZ 3.49Å; Q175-K219 VanDerWaalsContact O-NZ 3.11Å; L178-K219 HydrophobicContact CB-CB 3.96Å; L178-K219 HydrophobicContact CD1-CB 4.14Å; T179-K219 WeakPolarHBondContact OG1-CD 3.15Å; T179-K219 WeakPolarHBondContact OG1-CE 3.3Å; T179-K219 PolarHBondContact OG1-NZ 2.96Å; M215-K219 HydrophobicContact CE-CD 4.33Å; M215-K219 HydrophobicContact CE-CG 4.29Å; M215-K219 WeakPolarHBondContact O-CG 3.45Å; M215-K219 PolarHBondContact O-N 2.95Å; T216-K219 PolarHBondContact O-N 3.27Å; R217-K219 PolarHBondContact O-N 2.98Å; K219-L222 PolarHBondContact O-N 3.13Å; K219-V223 WeakPolarHBondContact O-CG2 3.28Å; K219-V223 PolarHBondContact O-N 3.37Å; K219-Y266 HydrophobicContact CG-CE1 4.33Å
220A95.2Very high91.5Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-64.9-41.2174.200000111.5L178 V205 C208 L209 T216 R217 A218 L222 V223 L224L178-A220 HydrophobicContact CD1-CB 4.11Å; V205-A220 HydrophobicContact CG1-CB 4.12Å; C208-A220 HydrophobicContact CB-CB 3.79Å; L209-A220 HydrophobicContact CD2-CB 3.86Å; T216-A220 WeakPolarHBondContact O-CB 3.34Å; T216-A220 PolarHBondContact O-N 3.24Å; R217-A220 WeakPolarHBondContact O-CB 3.48Å; R217-A220 PolarHBondContact O-N 3.29Å; R217-A220 VanDerWaalsContact O-N 3.14Å; A218-A220 VanDerWaalsContact C-N 3.34Å; A218-A220 PolarHBondContact O-N 3.46Å; A220-L222 VanDerWaalsContact C-N 3.34Å; A220-L222 PolarHBondContact O-N 3.03Å; A220-V223 PolarHBondContact O-N 3.23Å; A220-L224 WeakPolarHBondContact O-CG 3.22Å; A220-L224 PolarHBondContact O-N 3.48Å
221L95.3Very high91.3Very high1 Ų130.5 Ų30.51%0.00517%0.17CC..Hα-helixtrans-59-42.4174.3-66.4171.9000112.2L209 R217 A218 L224 L225 L247 L267 C270 L271 L274L209-L221 HydrophobicContact CD1-CD2 4.44Å; L209-L221 HydrophobicContact CD2-CD2 3.59Å; L209-L221 HydrophobicContact CD2-CG 3.81Å; R217-L221 WeakPolarHBondContact O-CG 3.49Å; R217-L221 PolarHBondContact O-N 3Å; A218-L221 WeakPolarHBondContact O-CB 3.48Å; A218-L221 PolarHBondContact O-N 3.26Å; L221-L224 PolarHBondContact O-N 3.1Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 PolarHBondContact O-N 3.29Å; L221-L247 HydrophobicContact CD2-CD2 3.48Å; L221-L247 VanDerWaalsContact CD2-CD2 3.48Å; L221-L267 HydrophobicContact CD1-CD1 3.74Å; L221-C270 HydrophobicContact CB-CB 4.37Å; L221-L271 HydrophobicContact CD1-CB 4.08Å; L221-L271 HydrophobicContact CD1-CD1 4.22Å; L221-L274 HydrophobicContact CB-CD2 4.49Å; L221-L274 HydrophobicContact CD2-CD2 3.78Å
222L94.3Very high91.3Very high39 Ų3931.8 Ų31.820%0.20418%0.177CC..Hα-helixtrans-64.2-42.9175.4-73.9174.6000112.6A218 K219 A220 L224 L225 L226 Y266 C270 L273A218-L222 PolarHBondContact O-N 2.91Å; K219-L222 PolarHBondContact O-N 3.13Å; A220-L222 VanDerWaalsContact C-N 3.34Å; A220-L222 PolarHBondContact O-N 3.03Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.19Å; L222-L225 WeakPolarHBondContact O-CB 3.29Å; L222-L225 PolarHBondContact O-N 3.16Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.33Å; L222-Y266 WeakPolarHBondContact CD1-OH 3.49Å; L222-C270 VanDerWaalsContact CD1-SG 3.57Å; L222-C270 HydrophobicContact CD2-CB 4.34Å; L222-C270 HydrophobicContact CG-CB 4.07Å; L222-C270 VanDerWaalsContact CG-SG 3.58Å; L222-L273 HydrophobicContact CD2-CD1 4.12Å
223V93.1Very high91.4Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-63-42.4176.1172.80000110.4L178 V181 A182 L185 V205 K219 A220 L226 L227L178-V223 HydrophobicContact CB-CG2 4.21Å; L178-V223 HydrophobicContact CD2-CB 4.41Å; L178-V223 HydrophobicContact CD2-CG2 4.02Å; L178-V223 VanDerWaalsContact O-CG2 3.27Å; L178-V223 WeakPolarHBondContact O-CG2 3.09Å; V181-V223 HydrophobicContact CG1-CG1 4.15Å; A182-V223 HydrophobicContact CB-CG2 4.01Å; L185-V223 HydrophobicContact CD1-CG1 4.34Å; V205-V223 HydrophobicContact CG1-CB 4.25Å; V205-V223 HydrophobicContact CG1-CG1 4.1Å; V205-V223 HydrophobicContact CG2-CG1 4.12Å; K219-V223 WeakPolarHBondContact O-CG2 3.28Å; K219-V223 PolarHBondContact O-N 3.37Å; A220-V223 PolarHBondContact O-N 3.23Å; V223-L226 PolarHBondContact O-N 2.98Å; V223-L227 HydrophobicContact CG1-CD1 3.76Å; V223-L227 HydrophobicContact CG1-CG 4.26Å; V223-L227 VanDerWaalsContact O-CG 3.23Å; V223-L227 WeakPolarHBondContact O-CG 3.18Å; V223-L227 PolarHBondContact O-N 3.32Å
224L94.3Very high91.5Very high1 Ų128.6 Ų28.61%0.00515%0.148CC..Hα-helixtrans-60.6-45.5175.6-70.9169.3000111.7V202 V205 L206 L209 A220 L221 L222 L226 L227 T228 L243V202-L224 HydrophobicContact CG1-CD2 4.32Å; V205-L224 HydrophobicContact CB-CD2 4.36Å; V205-L224 HydrophobicContact CG1-CD1 4.38Å; V205-L224 HydrophobicContact CG1-CD2 3.85Å; V205-L224 HydrophobicContact CG1-CG 3.73Å; L206-L224 HydrophobicContact CD2-CD1 3.91Å; L206-L224 HydrophobicContact CD2-CD2 4.15Å; L206-L224 HydrophobicContact CG-CD2 4.24Å; L209-L224 HydrophobicContact CD1-CD1 3.73Å; L209-L224 HydrophobicContact CD2-CD1 4.31Å; L209-L224 HydrophobicContact CG-CD1 4.21Å; A220-L224 WeakPolarHBondContact O-CG 3.22Å; A220-L224 PolarHBondContact O-N 3.48Å; L221-L224 PolarHBondContact O-N 3.1Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.19Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L224-L226 PolarHBondContact O-N 3.33Å; L224-L227 PolarHBondContact O-N 3.42Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L224-T228 WeakPolarHBondContact O-CG2 3.41Å; L224-T228 PolarHBondContact O-N 2.96Å; L224-T228 PolarHBondContact O-OG1 3.26Å; L224-L243 HydrophobicContact CD1-CD1 4.14Å
225L94.4Very high91.7Very high13 Ų1327.2 Ų27.27%0.06814%0.137CC..Hα-helixtrans-52.9-50.3174.1173.363.1000111.3L221 L222 L227 T228 Q229 L273 L274 H277L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 PolarHBondContact O-N 3.29Å; L222-L225 WeakPolarHBondContact O-CB 3.29Å; L222-L225 PolarHBondContact O-N 3.16Å; L225-L227 VanDerWaalsContact C-N 3.3Å; L225-L227 PolarHBondContact O-N 3.16Å; L225-T228 PolarHBondContact O-N 3.19Å; L225-T228 PolarHBondContact O-OG1 2.94Å; L225-Q229 HydrophobicContact CD1-CG 4.06Å; L225-Q229 HydrophobicContact CG-CG 4.43Å; L225-Q229 VanDerWaalsContact O-CG 3.23Å; L225-Q229 WeakPolarHBondContact O-CG 3.48Å; L225-Q229 PolarHBondContact O-N 2.98Å; L225-L273 HydrophobicContact CD2-CB 4.05Å; L225-L274 HydrophobicContact CB-CD1 4Å; L225-L274 HydrophobicContact CD1-CD1 4.08Å; L225-H277 HydrophobicContact CD1-CB 3.45Å; L225-H277 VanDerWaalsContact CD1-CB 3.45Å; L225-H277 VanDerWaalsContact CD1-CG 3.47Å
226L91.6Very high91.9Very high16 Ų1624.5 Ų24.58%0.08412%0.123CC..Hα-helixtrans-63.9-36179.9-65.6173.7000112.3A182 L185 L186 K192 L222 V223 L224A182-L226 HydrophobicContact CB-CD1 3.83Å; L185-L226 HydrophobicContact CB-CB 4.4Å; L185-L226 HydrophobicContact CB-CD1 4.28Å; L185-L226 HydrophobicContact CD1-CB 4.08Å; L186-L226 HydrophobicContact CD1-CD1 4.41Å; L186-L226 HydrophobicContact CD2-CD1 4.45Å; L186-L226 HydrophobicContact CD2-CD2 3.56Å; L186-L226 HydrophobicContact CG-CD1 4.01Å; L186-L226 HydrophobicContact CG-CD2 4.05Å; K192-L226 WeakPolarHBondContact CE-O 3.47Å; K192-L226 PolarHBondContact NZ-O 3.45Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.33Å; V223-L226 PolarHBondContact O-N 2.98Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L224-L226 PolarHBondContact O-N 3.33Å
227L89.9Confident92Very high1 Ų125.6 Ų25.61%0.00513%0.128CC..Hα-helixtrans-73-29.5178.5-68.6170.8000113L185 I195 T196 V202 V223 L224 L225L185-L227 HydrophobicContact CD1-CD2 3.78Å; L185-L227 HydrophobicContact CD1-CG 4.02Å; L185-L227 HydrophobicContact CD2-CD2 4.17Å; I195-L227 HydrophobicContact CG2-CD2 3.92Å; T196-L227 HydrophobicContact CG2-CB 4.49Å; T196-L227 HydrophobicContact CG2-CD2 3.73Å; V202-L227 HydrophobicContact CG2-CD1 4.07Å; V223-L227 HydrophobicContact CG1-CD1 3.76Å; V223-L227 HydrophobicContact CG1-CG 4.26Å; V223-L227 VanDerWaalsContact O-CG 3.23Å; V223-L227 WeakPolarHBondContact O-CG 3.18Å; V223-L227 PolarHBondContact O-N 3.32Å; L224-L227 PolarHBondContact O-N 3.42Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L225-L227 VanDerWaalsContact C-N 3.3Å; L225-L227 PolarHBondContact O-N 3.16Å
228T90.9Very high92Very high5 Ų524.4 Ų24.43%0.03112%0.123CC..Hα-helixtrans-91.7-24.2-178610000114.1L224 L225 D230 N231 L235L224-T228 WeakPolarHBondContact O-CG2 3.41Å; L224-T228 PolarHBondContact O-N 2.96Å; L224-T228 PolarHBondContact O-OG1 3.26Å; L225-T228 PolarHBondContact O-N 3.19Å; L225-T228 PolarHBondContact O-OG1 2.94Å; T228-D230 VanDerWaalsContact C-N 3.28Å; T228-D230 PolarHBondContact O-N 3.24Å; T228-D230 VanDerWaalsContact O-N 3.12Å; T228-N231 PolarHBondContact O-N 3.45Å; T228-N231 VanDerWaalsContact O-N 3.14Å; T228-L235 HydrophobicContact CG2-CB 4.01Å; T228-L235 HydrophobicContact CG2-CD1 4.18Å
229Q88.4Confident92Very high82 Ų8224.5 Ų24.538%0.38312%0.124SC..THydrogen-bonded Turntrans-50.1-40.2-174.2-91.8170.4-8.600115.4L225L225-Q229 HydrophobicContact CD1-CG 4.06Å; L225-Q229 HydrophobicContact CG-CG 4.43Å; L225-Q229 VanDerWaalsContact O-CG 3.23Å; L225-Q229 WeakPolarHBondContact O-CG 3.48Å; L225-Q229 PolarHBondContact O-N 2.98Å
230D83.8Confident92Very high111 Ų11128.8 Ų28.859%0.59414%0.144SC*.THydrogen-bonded Turntrans-112.87.3-176.3-55.5-26.8000112.6K192 T228K192-D230 WeakPolarHBondContact CE-OD2 3.44Å; K192-D230 IonicContact NZ-OD1 2.71Å; K192-D230 IonicContact NZ-OD2 2.67Å; K192-D230 PolarHBondContact NZ-OD2 3.41Å; T228-D230 VanDerWaalsContact C-N 3.28Å; T228-D230 PolarHBondContact O-N 3.24Å; T228-D230 VanDerWaalsContact O-N 3.12Å
231N87.4Confident91.9Very high46 Ų4632.3 Ų32.325%0.24616%0.161CC..  trans-145.389.6-172.1-166.5-27.2000112.2T228 H233 M234 L235T228-N231 PolarHBondContact O-N 3.45Å; T228-N231 VanDerWaalsContact O-N 3.14Å; N231-H233 PolarHBondContact O-N 3.12Å; N231-H233 WeakPolarHBondContact OD1-CB 3.48Å; N231-H233 PolarHBondContact OD1-N 2.93Å; N231-H233 VanDerWaalsContact OD1-N 3.13Å; N231-M234 HydrophobicContact CB-CB 4.17Å; N231-M234 HydrophobicContact CB-CG 4.07Å; N231-M234 WeakPolarHBondContact ND2-CG 3.41Å; N231-M234 WeakPolarHBondContact O-CB 3.48Å; N231-M234 PolarHBondContact O-N 3.15Å; N231-M234 PolarHBondContact OD1-N 3.24Å; N231-M234 VanDerWaalsContact OD1-N 3.15Å; N231-L235 PolarHBondContact O-N 2.87Å; N231-L235 VanDerWaalsContact O-N 3.17Å
232T89.8Confident91.8Very high42 Ų4239.9 Ų39.926%0.25819%0.189SC..Hα-helixtrans-57.8-30.8177.3-46.10000113M234 L235 L236 I285 T316T232-M234 VanDerWaalsContact C-N 3.33Å; T232-M234 PolarHBondContact O-N 3.45Å; T232-L235 WeakPolarHBondContact O-CB 3.48Å; T232-L235 PolarHBondContact O-N 3.46Å; T232-L236 WeakPolarHBondContact O-CB 3.49Å; T232-L236 PolarHBondContact O-N 3.36Å; T232-I285 HydrophobicContact CG2-CD1 3.54Å; T232-I285 HydrophobicContact CG2-CG1 3.58Å; T232-T316 HydrophobicContact CG2-CG2 3.72Å
233H90.6Very high91.8Very high82 Ų8238.1 Ų38.138%0.3818%0.18SC..Hα-helixtrans-69.9-31.1176.1-75.2-74.6000113N231 Y237 Q312N231-H233 PolarHBondContact O-N 3.12Å; N231-H233 WeakPolarHBondContact OD1-CB 3.48Å; N231-H233 PolarHBondContact OD1-N 2.93Å; N231-H233 VanDerWaalsContact OD1-N 3.13Å; H233-Y237 WeakPolarHBondContact O-CB 3.38Å; H233-Y237 PolarHBondContact O-N 3.44Å; H233-Q312 PolarHBondContact CE1-O 2.87Å; H233-Q312 PolarHBondContact NE2-O 3.21Å
234M91.2Very high91.9Very high10 Ų1038.6 Ų38.65%0.04918%0.183CC..Hα-helixtrans-73-35.1172.4-68.3-51.7-62.500111.4V202 N231 T232 Y237 C238V202-M234 HydrophobicContact CB-CE 3.87Å; V202-M234 HydrophobicContact CG1-CE 4.22Å; V202-M234 HydrophobicContact CG2-CE 3.13Å; N231-M234 HydrophobicContact CB-CB 4.17Å; N231-M234 HydrophobicContact CB-CG 4.07Å; N231-M234 WeakPolarHBondContact ND2-CG 3.41Å; N231-M234 WeakPolarHBondContact O-CB 3.48Å; N231-M234 PolarHBondContact O-N 3.15Å; N231-M234 PolarHBondContact OD1-N 3.24Å; N231-M234 VanDerWaalsContact OD1-N 3.15Å; T232-M234 VanDerWaalsContact C-N 3.33Å; T232-M234 PolarHBondContact O-N 3.45Å; M234-Y237 HydrophobicContact CE-CD1 4.26Å; M234-Y237 WeakPolarHBondContact O-CB 3.47Å; M234-Y237 PolarHBondContact O-N 2.95Å; M234-C238 PolarHBondContact O-N 3.49Å; M234-C238 PolarHBondContact O-SG 3.45Å
235L93.5Very high91.8Very high0 Ų042.9 Ų42.90%020%0.204CC..Hα-helixtrans-61.1-48.3170.2177.154.2000111.4T228 N231 T232 Y237 C238 C239 L243 L278 T281 I285 V319T228-L235 HydrophobicContact CG2-CB 4.01Å; T228-L235 HydrophobicContact CG2-CD1 4.18Å; N231-L235 PolarHBondContact O-N 2.87Å; N231-L235 VanDerWaalsContact O-N 3.17Å; T232-L235 WeakPolarHBondContact O-CB 3.48Å; T232-L235 PolarHBondContact O-N 3.46Å; L235-Y237 VanDerWaalsContact C-N 3.26Å; L235-Y237 PolarHBondContact O-N 3.2Å; L235-C238 WeakPolarHBondContact O-CB 3.33Å; L235-C238 PolarHBondContact O-N 3.04Å; L235-C239 PolarHBondContact O-N 3.27Å; L235-L243 HydrophobicContact CD1-CD2 4.11Å; L235-L278 HydrophobicContact CD1-CD2 3.35Å; L235-L278 HydrophobicContact CD2-CD2 3.73Å; L235-L278 HydrophobicContact CG-CD2 4.2Å; L235-T281 HydrophobicContact CD2-CG2 3.93Å; L235-I285 HydrophobicContact CD2-CD1 4.34Å; L235-V319 HydrophobicContact CD2-CG1 3.74Å; L235-V319 HydrophobicContact CG-CG1 3.83Å; L235-V319 HydrophobicContact CG-CG2 4.3Å
236L93.8Very high91.7Very high12 Ų1243.4 Ų43.46%0.06321%0.205CC..Hα-helixtrans-52-47.3173.2172.960.9000111.8T232 C238 C239 Q240 P315 S318 V319T232-L236 WeakPolarHBondContact O-CB 3.49Å; T232-L236 PolarHBondContact O-N 3.36Å; L236-C238 VanDerWaalsContact C-N 3.34Å; L236-C238 PolarHBondContact O-N 3.45Å; L236-C239 PolarHBondContact O-N 3.29Å; L236-Q240 HydrophobicContact CD1-CG 4.29Å; L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 3.46Å; L236-P315 HydrophobicContact CD2-CB 4.03Å; L236-S318 WeakPolarHBondContact CD1-OG 3.44Å; L236-V319 VanDerWaalsContact CA-CG2 3.44Å; L236-V319 HydrophobicContact CB-CG2 3.78Å; L236-V319 HydrophobicContact CD1-CG2 3.94Å
237Y93.6Very high91.8Very high23 Ų2342.8 Ų42.89%0.0920%0.202CC..Hα-helixtrans-61.8-40.6176.9-173.1-108.9000112.5R199 V202 L203 H233 M234 L235 H241R199-Y237 HydrophobicContact CB-CD1 4.49Å; R199-Y237 HydrophobicContact CB-CE1 3.81Å; R199-Y237 HydrophobicContact CB-CE2 4.45Å; R199-Y237 HydrophobicContact CG-CD1 4.33Å; R199-Y237 HydrophobicContact CG-CE1 4.1Å; R199-Y237 HydrophobicContact CG-CE2 4.32Å; V202-Y237 HydrophobicContact CB-CD1 4.32Å; V202-Y237 HydrophobicContact CB-CE1 4.34Å; V202-Y237 HydrophobicContact CG1-CD1 4.03Å; V202-Y237 HydrophobicContact CG1-CE1 4.36Å; L203-Y237 VanDerWaalsContact CD1-OH 3.27Å; L203-Y237 WeakPolarHBondContact CD1-OH 3.29Å; L203-Y237 HydrophobicContact CD2-CE1 4.01Å; L203-Y237 WeakPolarHBondContact CD2-OH 3.48Å; L203-Y237 HydrophobicContact CG-CE1 4.02Å; L203-Y237 VanDerWaalsContact CG-OH 3.25Å; L203-Y237 WeakPolarHBondContact CG-OH 3.4Å; H233-Y237 WeakPolarHBondContact O-CB 3.38Å; H233-Y237 PolarHBondContact O-N 3.44Å; M234-Y237 HydrophobicContact CE-CD1 4.26Å; M234-Y237 WeakPolarHBondContact O-CB 3.47Å; M234-Y237 PolarHBondContact O-N 2.95Å; L235-Y237 VanDerWaalsContact C-N 3.26Å; L235-Y237 PolarHBondContact O-N 3.2Å; Y237-H241 AromaticContact CD2-CD2 3.81Å; Y237-H241 AromaticContact CD2-NE2 3.98Å; Y237-H241 AromaticContact CE1-CD2 3.77Å; Y237-H241 AromaticContact CE2-CD2 3.38Å; Y237-H241 WeakPolarHBondContact CE2-CD2 3.45Å; Y237-H241 AromaticContact CE2-NE2 3.16Å; Y237-H241 WeakPolarHBondContact CE2-NE2 3.26Å; Y237-H241 AromaticContact CZ-CD2 3.36Å; Y237-H241 AromaticContact CZ-NE2 3.24Å; Y237-H241 PolarHBondContact O-CD2 3.21Å; Y237-H241 VanDerWaalsContact O-CD2 3.23Å; Y237-H241 PolarHBondContact O-N 2.99Å; Y237-H241 PolarHBondContact OH-NE2 3.48Å
238C93.9Very high91.8Very high0 Ų044.9 Ų44.90%021%0.212CC..Hα-helixtrans-64.6-44177.1-63.90000112.3V202 M234 L235 L236 H241 R242 L243V202-C238 WeakPolarHBondContact CG1-SG 3.38Å; M234-C238 PolarHBondContact O-N 3.49Å; M234-C238 PolarHBondContact O-SG 3.45Å; L235-C238 WeakPolarHBondContact O-CB 3.33Å; L235-C238 PolarHBondContact O-N 3.04Å; L236-C238 VanDerWaalsContact C-N 3.34Å; L236-C238 PolarHBondContact O-N 3.45Å; C238-H241 CarbonylContact O-C 3.58Å; C238-H241 VanDerWaalsContact O-C 3.24Å; C238-H241 WeakPolarHBondContact O-CA 3.3Å; C238-H241 PolarHBondContact O-N 3.11Å; C238-H241 VanDerWaalsContact O-N 3.08Å; C238-R242 PolarHBondContact O-N 3.28Å; C238-L243 HydrophobicContact CB-CB 4.03Å; C238-L243 HydrophobicContact CB-CD2 3.7Å; C238-L243 HydrophobicContact CB-CG 4.37Å; C238-L243 WeakPolarHBondContact O-CB 3.31Å; C238-L243 PolarHBondContact O-N 2.83Å; C238-L243 VanDerWaalsContact O-N 3.11Å
239C93.7Very high91.8Very high2 Ų247.4 Ų47.41%0.01422%0.221CC..Hα-helixtrans-56.5-52.3175.2-77.60000111.1L235 L236 H241 R242 E322L235-C239 PolarHBondContact O-N 3.27Å; L236-C239 PolarHBondContact O-N 3.29Å; C239-H241 PolarHBondContact O-N 3.41Å; C239-R242 PolarHBondContact O-N 3.48Å; C239-E322 WeakPolarHBondContact CA-OE2 3.47Å; C239-E322 WeakPolarHBondContact CB-OE2 3.42Å; C239-E322 VanDerWaalsContact O-OE2 3.1Å
240Q92.9Very high91.7Very high119 Ų11943.6 Ų43.656%0.55620%0.203SC*.Hα-helixtrans-55.5-24.9174.4-69.9173.5-10.700114L236L236-Q240 HydrophobicContact CD1-CG 4.29Å; L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 3.46Å
241H94.4Very high91.8Very high74 Ų7440.5 Ų40.534%0.34319%0.186SC..THydrogen-bonded Turntrans-102.537175.7-72.9-71.4000113.5L203 L206 Y237 C238 C239 L243L203-H241 HydrophobicContact CD2-CB 4.19Å; L206-H241 HydrophobicContact CD1-CB 3.71Å; Y237-H241 AromaticContact CD2-CD2 3.81Å; Y237-H241 AromaticContact CD2-NE2 3.98Å; Y237-H241 AromaticContact CE1-CD2 3.77Å; Y237-H241 AromaticContact CE2-CD2 3.38Å; Y237-H241 WeakPolarHBondContact CE2-CD2 3.45Å; Y237-H241 AromaticContact CE2-NE2 3.16Å; Y237-H241 WeakPolarHBondContact CE2-NE2 3.26Å; Y237-H241 AromaticContact CZ-CD2 3.36Å; Y237-H241 AromaticContact CZ-NE2 3.24Å; Y237-H241 PolarHBondContact O-CD2 3.21Å; Y237-H241 VanDerWaalsContact O-CD2 3.23Å; Y237-H241 PolarHBondContact O-N 2.99Å; Y237-H241 PolarHBondContact OH-NE2 3.48Å; C238-H241 CarbonylContact O-C 3.58Å; C238-H241 VanDerWaalsContact O-C 3.24Å; C238-H241 WeakPolarHBondContact O-CA 3.3Å; C238-H241 PolarHBondContact O-N 3.11Å; C238-H241 VanDerWaalsContact O-N 3.08Å; C239-H241 PolarHBondContact O-N 3.41Å; H241-L243 VanDerWaalsContact C-N 3.33Å; H241-L243 PolarHBondContact O-N 3.24Å
242R92.9Very high91.6Very high159 Ų15945.7 Ų45.760%0.620%0.202SC*.THydrogen-bonded Turntrans65.826.9167.9-56.9171168.6-164.80.5114.5C238 C239 V244 M245 Y246C238-R242 PolarHBondContact O-N 3.28Å; C239-R242 PolarHBondContact O-N 3.48Å; R242-V244 VanDerWaalsContact C-N 3.3Å; R242-V244 PolarHBondContact O-N 3.1Å; R242-M245 HydrophobicContact CB-CB 4.3Å; R242-M245 HydrophobicContact CB-CE 4.1Å; R242-M245 HydrophobicContact CG-CE 4.03Å; R242-M245 WeakPolarHBondContact O-CB 3.39Å; R242-M245 PolarHBondContact O-N 2.88Å; R242-Y246 HydrophobicContact CB-CE2 4.34Å; R242-Y246 WeakPolarHBondContact O-CD2 3.4Å; R242-Y246 PolarHBondContact O-N 3.02Å
243L94.8Very high90.8Very high3 Ų350.4 Ų50.42%0.01622%0.219CC..Hα-helixtrans-51.3-49.8176.7174.762.7000111.5L206 L209 L224 L235 C238 H241 M245 Y246 L247 L278L206-L243 HydrophobicContact CD2-CB 4.44Å; L206-L243 HydrophobicContact CD2-CD1 4.06Å; L209-L243 HydrophobicContact CD1-CD1 4.26Å; L224-L243 HydrophobicContact CD1-CD1 4.14Å; L235-L243 HydrophobicContact CD1-CD2 4.11Å; C238-L243 HydrophobicContact CB-CB 4.03Å; C238-L243 HydrophobicContact CB-CD2 3.7Å; C238-L243 HydrophobicContact CB-CG 4.37Å; C238-L243 WeakPolarHBondContact O-CB 3.31Å; C238-L243 PolarHBondContact O-N 2.83Å; C238-L243 VanDerWaalsContact O-N 3.11Å; H241-L243 VanDerWaalsContact C-N 3.33Å; H241-L243 PolarHBondContact O-N 3.24Å; L243-M245 VanDerWaalsContact C-N 3.28Å; L243-M245 PolarHBondContact O-N 3.48Å; L243-Y246 PolarHBondContact O-N 3.48Å; L243-L247 HydrophobicContact CD1-CD1 4.27Å; L243-L247 HydrophobicContact CD1-CD2 4.21Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CG-CD1 4.07Å; L243-L247 HydrophobicContact CG-CG 4.33Å; L243-L247 WeakPolarHBondContact O-CG 3.26Å; L243-L247 PolarHBondContact O-N 2.84Å; L243-L247 VanDerWaalsContact O-N 3.16Å; L243-L278 HydrophobicContact CD2-CD1 4.38Å
244V93.8Very high89.5Confident10 Ų1047.9 Ų47.96%0.06121%0.213CC..Hα-helixtrans-59-40.3-175.6178.60000111.7R242 Y246 L247 E248 E322 L323 F329R242-V244 VanDerWaalsContact C-N 3.3Å; R242-V244 PolarHBondContact O-N 3.1Å; V244-Y246 VanDerWaalsContact C-N 3.33Å; V244-Y246 PolarHBondContact O-N 3.04Å; V244-L247 PolarHBondContact O-N 3.38Å; V244-E248 HydrophobicContact CG1-CG 4.41Å; V244-E248 WeakPolarHBondContact O-CG 3.4Å; V244-E248 PolarHBondContact O-N 3.29Å; V244-E322 HydrophobicContact CB-CG 4.38Å; V244-E322 HydrophobicContact CG2-CG 3.86Å; V244-E322 WeakPolarHBondContact CG2-OE1 3.26Å; V244-L323 HydrophobicContact CG2-CD2 4.04Å; V244-F329 HydrophobicContact CG1-CE2 4.44Å
245M93.1Very high87.9Confident90 Ų9051.2 Ų51.244%0.44323%0.234SC..Hα-helixtrans-58.1-43.8176.4-174.9-148.6-68.500112.1R242 L243 R249R242-M245 HydrophobicContact CB-CB 4.3Å; R242-M245 HydrophobicContact CB-CE 4.1Å; R242-M245 HydrophobicContact CG-CE 4.03Å; R242-M245 WeakPolarHBondContact O-CB 3.39Å; R242-M245 PolarHBondContact O-N 2.88Å; L243-M245 VanDerWaalsContact C-N 3.28Å; L243-M245 PolarHBondContact O-N 3.48Å; M245-R249 WeakPolarHBondContact O-CB 3.4Å; M245-R249 PolarHBondContact O-N 3.25Å
246Y92.8Very high86Confident25 Ų2557.2 Ų57.210%0.09827%0.273CS..Hα-helixtrans-66.9-38.5179-64.3-60.4000111.9L209 E210 R242 L243 V244 R249 D250L209-Y246 HydrophobicContact CB-CD1 4.23Å; L209-Y246 HydrophobicContact CB-CD2 4.38Å; L209-Y246 HydrophobicContact CB-CG 4.03Å; L209-Y246 HydrophobicContact CD1-CD2 3.87Å; L209-Y246 HydrophobicContact CD1-CG 3.98Å; E210-Y246 HydrophobicContact CG-CE1 3.56Å; E210-Y246 PolarHBondContact OE1-OH 3.29Å; R242-Y246 HydrophobicContact CB-CE2 4.34Å; R242-Y246 WeakPolarHBondContact O-CD2 3.4Å; R242-Y246 PolarHBondContact O-N 3.02Å; L243-Y246 PolarHBondContact O-N 3.48Å; V244-Y246 VanDerWaalsContact C-N 3.33Å; V244-Y246 PolarHBondContact O-N 3.04Å; Y246-R249 PolarHBondContact O-N 3.23Å; Y246-D250 PolarHBondContact O-N 3.47Å
247L92.8Very high83.8Confident3 Ų362.8 Ų62.82%0.01631%0.307CS..Hα-helixtrans-64.9-45.5177.8-57.8-177.6000111.4L221 L243 V244 R249 D250 L251 L271 L274 L275 L278 F329L221-L247 HydrophobicContact CD2-CD2 3.48Å; L221-L247 VanDerWaalsContact CD2-CD2 3.48Å; L243-L247 HydrophobicContact CD1-CD1 4.27Å; L243-L247 HydrophobicContact CD1-CD2 4.21Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CG-CD1 4.07Å; L243-L247 HydrophobicContact CG-CG 4.33Å; L243-L247 WeakPolarHBondContact O-CG 3.26Å; L243-L247 PolarHBondContact O-N 2.84Å; L243-L247 VanDerWaalsContact O-N 3.16Å; V244-L247 PolarHBondContact O-N 3.38Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.45Å; L247-D250 PolarHBondContact O-N 3.49Å; L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 PolarHBondContact O-N 3.37Å; L247-L271 HydrophobicContact CB-CD1 4.29Å; L247-L271 HydrophobicContact CD2-CD1 3.76Å; L247-L274 HydrophobicContact CD1-CD2 4.26Å; L247-L274 HydrophobicContact CD2-CD2 3.69Å; L247-L275 HydrophobicContact CB-CD2 4.47Å; L247-L275 HydrophobicContact CD1-CD2 4.36Å; L247-L278 HydrophobicContact CD1-CD1 3.63Å; L247-F329 HydrophobicContact CD1-CE2 4.27Å; L247-F329 HydrophobicContact CD1-CZ 3.78Å
248E90.9Very high81.5Confident44 Ų4472.9 Ų72.921%0.20635%0.345CS..Hα-helixtrans-63.6-38.8176.5-70.2-174.4154.900112.5V244 R252 S326 V328V244-E248 HydrophobicContact CG1-CG 4.41Å; V244-E248 WeakPolarHBondContact O-CG 3.4Å; V244-E248 PolarHBondContact O-N 3.29Å; E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 3.09Å; E248-S326 WeakPolarHBondContact OE1-CA 3.48Å; E248-S326 WeakPolarHBondContact OE1-CB 3.48Å; E248-S326 PolarHBondContact OE1-OG 2.91Å; E248-V328 HydrophobicContact CG-CG2 4.3Å
249R89.9Confident79Confident58 Ų5880 Ų8022%0.21938%0.383CS..Hα-helixtrans-61.5-47.4176.3-174.7-159.870.8-164.1-9.2111.2L209 R217 M245 Y246 L247 K253L209-R249 PolarHBondContact O-NH1 3.06Å; L209-R249 PolarHBondContact O-NH2 3.43Å; R217-R249 VanDerWaalsContact CD-NH2 3.33Å; M245-R249 WeakPolarHBondContact O-CB 3.4Å; M245-R249 PolarHBondContact O-N 3.25Å; Y246-R249 PolarHBondContact O-N 3.23Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.45Å; R249-K253 WeakPolarHBondContact O-CG 3.25Å; R249-K253 PolarHBondContact O-N 2.85Å
250D87.1Confident76.8Confident2 Ų285.5 Ų85.51%0.01141%0.412CS..Hα-helixtrans-74.6-31.6-177.5-76.63.8000111.8R217 Y246 L247 K253 A254 L271R217-D250 WeakPolarHBondContact CD-OD2 3.31Å; R217-D250 IonicContact NE-OD1 2.85Å; R217-D250 IonicContact NE-OD2 3.73Å; R217-D250 PolarHBondContact NE-OD2 3Å; R217-D250 VanDerWaalsContact NE-OD2 3.16Å; Y246-D250 PolarHBondContact O-N 3.47Å; L247-D250 PolarHBondContact O-N 3.49Å; D250-K253 PolarHBondContact O-N 3.25Å; D250-A254 VanDerWaalsContact O-CB 3.31Å; D250-A254 WeakPolarHBondContact O-CB 3.23Å; D250-A254 PolarHBondContact O-N 3.44Å; D250-L271 HydrophobicContact CB-CD2 4.44Å
251L85.2Confident74.8Confident47 Ų4785.2 Ų85.225%0.24642%0.421CS..Hα-helixtrans-63.3-45.8172-172.168.3000112.2L247 K253 A254 T255 L271 L275 V328L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 PolarHBondContact O-N 3.37Å; L251-K253 PolarHBondContact O-N 3.18Å; L251-A254 WeakPolarHBondContact O-CB 3.28Å; L251-A254 PolarHBondContact O-N 3.38Å; L251-T255 PolarHBondContact O-N 3.13Å; L251-T255 PolarHBondContact O-OG1 3.24Å; L251-L271 HydrophobicContact CB-CD2 4.02Å; L251-L271 HydrophobicContact CD1-CD2 4.02Å; L251-L275 HydrophobicContact CD1-CD1 4.24Å; L251-V328 HydrophobicContact CD2-CB 4.08Å; L251-V328 HydrophobicContact CD2-CG1 3.52Å; L251-V328 HydrophobicContact CD2-CG2 3.35Å
252R82.9Confident72.7Confident154 Ų15486.7 Ų86.758%0.58144%0.439SS*.Hα-helixtrans-59.4-32.8176.4-77.9-174.8-70.6-139.1-4.8112.8E248 T255E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 3.09Å; R252-T255 VanDerWaalsContact C-OG1 3.31Å; R252-T255 WeakPolarHBondContact CA-OG1 3.41Å; R252-T255 PolarHBondContact O-OG1 3.32Å
253K73.3Confident70.7Confident141 Ų14186.3 Ų86.361%0.61344%0.444SS*.Hα-helixtrans-80.5-23.7176.3-68.4177.6179.5-176.20113.1R249 D250 L251R249-K253 WeakPolarHBondContact O-CG 3.25Å; R249-K253 PolarHBondContact O-N 2.85Å; D250-K253 PolarHBondContact O-N 3.25Å; L251-K253 PolarHBondContact O-N 3.18Å
254A63.3Low68.9Low30 Ų3088.4 Ų88.425%0.24846%0.459CS..Hα-helixtrans-80.9-26.4177.200000112.9D250 L251 C268D250-A254 VanDerWaalsContact O-CB 3.31Å; D250-A254 WeakPolarHBondContact O-CB 3.23Å; D250-A254 PolarHBondContact O-N 3.44Å; L251-A254 WeakPolarHBondContact O-CB 3.28Å; L251-A254 PolarHBondContact O-N 3.38Å; A254-C268 WeakPolarHBondContact CB-SG 3.27Å
255T58.3Low68.2Low80 Ų8089.1 Ų89.149%0.49147%0.468SS..SBendtrans-60.1129.6169.517.80000110.3L251 R252 V257L251-T255 PolarHBondContact O-N 3.13Å; L251-T255 PolarHBondContact O-OG1 3.24Å; R252-T255 VanDerWaalsContact C-OG1 3.31Å; R252-T255 WeakPolarHBondContact CA-OG1 3.41Å; R252-T255 PolarHBondContact O-OG1 3.32Å; T255-V257 PolarHBondContact O-N 3.02Å
256P52.6Low67.9Low126 Ų12689 Ų8982%0.81846%0.464SS*.  trans-75.585.8-159.230.9-36.1000111.9
257V46.8Very low67.7Low128 Ų12888.4 Ų88.478%0.77646%0.462SS*.SBendtrans-107.787161.3-1750000106.9T255 D259T255-V257 PolarHBondContact O-N 3.02Å; V257-D259 PolarHBondContact O-N 3.08Å
258R45.3Very low67.5Low236 Ų23689.6 Ų89.689%0.89147%0.47SS*.SBendtrans41.673165.4-71.9179.9168.4-179.9-2.7115.6
259D42.4Very low67.5Low150 Ų15093.2 Ų93.280%0.80249%0.487SS*.SBendtrans-152.8143.6157.7-91.8-37.5000111.3V257V257-D259 PolarHBondContact O-N 3.08Å
260N47.3Very low67.6Low116 Ų11690.7 Ų90.762%0.6248%0.478SS*.  trans-29.8116.9-168-77.7-34.1000116.3S262 Q263 S264N260-S262 PolarHBondContact O-N 3.37Å; N260-S262 VanDerWaalsContact O-N 3.13Å; N260-Q263 PolarHBondContact O-N 3.48Å; N260-S264 PolarHBondContact O-OG 2.86Å
261P51.3Low67.9Low114 Ų11490.7 Ų90.774%0.7448%0.478SS*.Hα-helixtrans-67.4-15.2-175.125.2-33.4000114.8
262S50.5Low68.1Low104 Ų10492.1 Ų92.173%0.72749%0.486SS*.Hα-helixtrans-83-21.9-176.656.10000114.7N260N260-S262 PolarHBondContact O-N 3.37Å; N260-S262 VanDerWaalsContact O-N 3.13Å
263Q50.6Low68.7Low151 Ų15189.1 Ų89.171%0.70648%0.481SS*.Hα-helixtrans-104.5-24.4179.5-67.4-171.46.500113.6N260N260-Q263 PolarHBondContact O-N 3.48Å
264S57.9Low69.7Low47 Ų4782.4 Ų82.433%0.32945%0.452SS..Hα-helixtrans-76.2-29.8174.856.60000112.5N260 Y266 L267 C268N260-S264 PolarHBondContact O-OG 2.86Å; S264-Y266 PolarHBondContact O-N 2.91Å; S264-L267 PolarHBondContact O-N 3.28Å; S264-C268 PolarHBondContact O-N 3.09Å; S264-C268 PolarHBondContact O-SG 3.42Å
265G77.3Confident71.1Confident25 Ų2581 Ų8126%0.25844%0.441SS..Hα-helixtrans-54.4-46.2-175.300000114.5C268 Q269G265-C268 PolarHBondContact O-N 3.42Å; G265-Q269 WeakPolarHBondContact O-CB 3.47Å; G265-Q269 VanDerWaalsContact O-CG 3.24Å; G265-Q269 WeakPolarHBondContact O-CG 3.44Å; G265-Q269 PolarHBondContact O-N 3.41Å
266Y86.7Confident72.8Confident87 Ų8781.5 Ų81.534%0.34144%0.44SS..Hα-helixtrans-67.9-39.6-179.3-174-105.6000112.7M215 A218 K219 L222 S264 Q269 C270M215-Y266 HydrophobicContact CE-CD1 3.6Å; M215-Y266 HydrophobicContact CE-CE1 3.4Å; M215-Y266 HydrophobicContact CE-CG 4.39Å; M215-Y266 HydrophobicContact SD-CD1 3.55Å; M215-Y266 VanDerWaalsContact SD-CD1 3.55Å; M215-Y266 HydrophobicContact SD-CE1 3.92Å; M215-Y266 HydrophobicContact SD-CG 4.4Å; A218-Y266 HydrophobicContact CB-CD1 3.51Å; A218-Y266 HydrophobicContact CB-CE1 3.7Å; K219-Y266 HydrophobicContact CG-CE1 4.33Å; L222-Y266 WeakPolarHBondContact CD1-OH 3.49Å; S264-Y266 PolarHBondContact O-N 2.91Å; Y266-Q269 PolarHBondContact O-N 3.18Å; Y266-C270 PolarHBondContact O-N 3.28Å; Y266-C270 PolarHBondContact O-SG 3.04Å
267L89.8Confident74.8Confident14 Ų1476.7 Ų76.77%0.07341%0.406CS..Hα-helixtrans-63.8-45.6175.1175.862.6000110.9A214 R217 A218 L221 S264 Q269 C270 L271A214-L267 HydrophobicContact CB-CD2 4.06Å; R217-L267 HydrophobicContact CB-CD1 4.05Å; A218-L267 HydrophobicContact CB-CB 4.08Å; A218-L267 HydrophobicContact CB-CD1 3.82Å; L221-L267 HydrophobicContact CD1-CD1 3.74Å; S264-L267 PolarHBondContact O-N 3.28Å; L267-Q269 PolarHBondContact O-N 2.66Å; L267-C270 PolarHBondContact O-N 3.39Å; L267-L271 VanDerWaalsContact O-CB 3.29Å; L267-L271 WeakPolarHBondContact O-CB 3.29Å; L267-L271 PolarHBondContact O-N 2.88Å
268C87.8Confident77.1Confident27 Ų2770.6 Ų70.618%0.18237%0.369CS..Hα-helixtrans-59.1-47176.7-61.80000111.4A254 S264 G265 C270 L271 D272A254-C268 WeakPolarHBondContact CB-SG 3.27Å; S264-C268 PolarHBondContact O-N 3.09Å; S264-C268 PolarHBondContact O-SG 3.42Å; G265-C268 PolarHBondContact O-N 3.42Å; C268-C270 PolarHBondContact O-N 3.41Å; C268-L271 WeakPolarHBondContact O-CB 3.28Å; C268-L271 PolarHBondContact O-N 3.3Å; C268-D272 WeakPolarHBondContact O-CB 3.45Å; C268-D272 VanDerWaalsContact O-CG 3.26Å; C268-D272 PolarHBondContact O-N 3.46Å
269Q90.4Very high79.4Confident121 Ų12159.9 Ų59.957%0.56533%0.331SS*.Hα-helixtrans-59.4-45.4177.2-72.91693.900112.4G265 Y266 L267 L271 D272 L273G265-Q269 WeakPolarHBondContact O-CB 3.47Å; G265-Q269 VanDerWaalsContact O-CG 3.24Å; G265-Q269 WeakPolarHBondContact O-CG 3.44Å; G265-Q269 PolarHBondContact O-N 3.41Å; Y266-Q269 PolarHBondContact O-N 3.18Å; L267-Q269 PolarHBondContact O-N 2.66Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 3.24Å; Q269-D272 PolarHBondContact O-N 3.47Å; Q269-L273 WeakPolarHBondContact O-CG 3.18Å; Q269-L273 PolarHBondContact O-N 3.42Å
270C92.8Very high81.9Confident4 Ų458.4 Ų58.43%0.02732%0.319CS..Hα-helixtrans-64.9-38.8177.6-64.10000111.8A218 L221 L222 Y266 L267 C268 L274A218-C270 HydrophobicContact CB-CB 4.26Å; L221-C270 HydrophobicContact CB-CB 4.37Å; L222-C270 VanDerWaalsContact CD1-SG 3.57Å; L222-C270 HydrophobicContact CD2-CB 4.34Å; L222-C270 HydrophobicContact CG-CB 4.07Å; L222-C270 VanDerWaalsContact CG-SG 3.58Å; Y266-C270 PolarHBondContact O-N 3.28Å; Y266-C270 PolarHBondContact O-SG 3.04Å; L267-C270 PolarHBondContact O-N 3.39Å; C268-C270 PolarHBondContact O-N 3.41Å; C270-L274 PolarHBondContact O-N 3.08Å
271L92.6Very high84.1Confident2 Ų253.8 Ų53.81%0.0130%0.295CS..Hα-helixtrans-63.7-48.1175.2-179.563000110.6L221 L247 D250 L251 L267 C268 Q269 L273 L274 L275L221-L271 HydrophobicContact CD1-CB 4.08Å; L221-L271 HydrophobicContact CD1-CD1 4.22Å; L247-L271 HydrophobicContact CB-CD1 4.29Å; L247-L271 HydrophobicContact CD2-CD1 3.76Å; D250-L271 HydrophobicContact CB-CD2 4.44Å; L251-L271 HydrophobicContact CB-CD2 4.02Å; L251-L271 HydrophobicContact CD1-CD2 4.02Å; L267-L271 VanDerWaalsContact O-CB 3.29Å; L267-L271 WeakPolarHBondContact O-CB 3.29Å; L267-L271 PolarHBondContact O-N 2.88Å; C268-L271 WeakPolarHBondContact O-CB 3.28Å; C268-L271 PolarHBondContact O-N 3.3Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 3.24Å; L271-L273 VanDerWaalsContact C-N 3.32Å; L271-L273 PolarHBondContact O-N 3.44Å; L271-L274 PolarHBondContact O-N 2.93Å; L271-L274 VanDerWaalsContact O-N 3.14Å; L271-L275 HydrophobicContact CD1-CD1 4.38Å; L271-L275 HydrophobicContact CD1-CD2 4.4Å; L271-L275 HydrophobicContact CD1-CG 4.14Å; L271-L275 HydrophobicContact CG-CD1 3.98Å; L271-L275 HydrophobicContact CG-CG 4.17Å; L271-L275 WeakPolarHBondContact O-CB 3.34Å; L271-L275 VanDerWaalsContact O-CG 3.28Å; L271-L275 WeakPolarHBondContact O-CG 3.38Å; L271-L275 PolarHBondContact O-N 3.48Å
272D91.2Very high86.2Confident78 Ų7848.4 Ų48.442%0.41726%0.26SS..Hα-helixtrans-59.3-41.1179.6-73.2-31.9000112.2C268 Q269 L275 L276C268-D272 WeakPolarHBondContact O-CB 3.45Å; C268-D272 VanDerWaalsContact O-CG 3.26Å; C268-D272 PolarHBondContact O-N 3.46Å; Q269-D272 PolarHBondContact O-N 3.47Å; D272-L275 PolarHBondContact O-N 3.33Å; D272-L276 VanDerWaalsContact O-CB 3.29Å; D272-L276 WeakPolarHBondContact O-CB 3.23Å; D272-L276 PolarHBondContact O-N 2.82Å
273L93.8Very high88.3Confident90 Ų9045.2 Ų45.247%0.47124%0.237SC..Hα-helixtrans-60.6-45.1174.9-72.4173.2000112.1L222 L225 Q269 L271 H277L222-L273 HydrophobicContact CD2-CD1 4.12Å; L225-L273 HydrophobicContact CD2-CB 4.05Å; Q269-L273 WeakPolarHBondContact O-CG 3.18Å; Q269-L273 PolarHBondContact O-N 3.42Å; L271-L273 VanDerWaalsContact C-N 3.32Å; L271-L273 PolarHBondContact O-N 3.44Å; L273-H277 WeakPolarHBondContact O-CB 3.43Å; L273-H277 PolarHBondContact O-N 3.43Å
274L94.3Very high90.4Very high1 Ų141.9 Ų41.91%0.00523%0.226CC..Hα-helixtrans-68.9-42.3177.6-176.961.8000111.3L221 L225 L247 C270 L271 L276 H277 L278L221-L274 HydrophobicContact CB-CD2 4.49Å; L221-L274 HydrophobicContact CD2-CD2 3.78Å; L225-L274 HydrophobicContact CB-CD1 4Å; L225-L274 HydrophobicContact CD1-CD1 4.08Å; L247-L274 HydrophobicContact CD1-CD2 4.26Å; L247-L274 HydrophobicContact CD2-CD2 3.69Å; C270-L274 PolarHBondContact O-N 3.08Å; L271-L274 PolarHBondContact O-N 2.93Å; L271-L274 VanDerWaalsContact O-N 3.14Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3.45Å; L274-H277 PolarHBondContact O-N 3.24Å; L274-L278 HydrophobicContact CD1-CD1 4.19Å; L274-L278 HydrophobicContact CD1-CD2 4.39Å; L274-L278 HydrophobicContact CD1-CG 4.05Å; L274-L278 HydrophobicContact CG-CD1 4.01Å; L274-L278 HydrophobicContact CG-CG 4.27Å; L274-L278 VanDerWaalsContact O-CG 3.27Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.23Å
275L93.6Very high92.2Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..Hα-helixtrans-60.1-43.5177.2-69.1-179.7000111.5L247 L251 L271 D272 S279 V328 F329L247-L275 HydrophobicContact CB-CD2 4.47Å; L247-L275 HydrophobicContact CD1-CD2 4.36Å; L251-L275 HydrophobicContact CD1-CD1 4.24Å; L271-L275 HydrophobicContact CD1-CD1 4.38Å; L271-L275 HydrophobicContact CD1-CD2 4.4Å; L271-L275 HydrophobicContact CD1-CG 4.14Å; L271-L275 HydrophobicContact CG-CD1 3.98Å; L271-L275 HydrophobicContact CG-CG 4.17Å; L271-L275 WeakPolarHBondContact O-CB 3.34Å; L271-L275 VanDerWaalsContact O-CG 3.28Å; L271-L275 WeakPolarHBondContact O-CG 3.38Å; L271-L275 PolarHBondContact O-N 3.48Å; D272-L275 PolarHBondContact O-N 3.33Å; L275-S279 WeakPolarHBondContact O-CB 3.26Å; L275-S279 PolarHBondContact O-N 3.26Å; L275-S279 PolarHBondContact O-OG 2.66Å; L275-V328 HydrophobicContact CD1-CG1 4.14Å; L275-V328 HydrophobicContact CD2-CG1 4.1Å; L275-F329 HydrophobicContact CB-CE1 4.31Å; L275-F329 HydrophobicContact CD2-CD1 4.41Å; L275-F329 HydrophobicContact CD2-CE1 3.42Å; L275-F329 VanDerWaalsContact CD2-CE1 3.42Å; L275-F329 HydrophobicContact CD2-CE2 4.03Å; L275-F329 HydrophobicContact CD2-CZ 3.19Å; L275-F329 HydrophobicContact CG-CE1 4.47Å
276L93.8Very high93.1Very high90 Ų9038.5 Ų38.547%0.47120%0.199SC..Hα-helixtrans-61.4-49.3176.6179.864000110.9D272 L274 L278 S279 Q280D272-L276 VanDerWaalsContact O-CB 3.29Å; D272-L276 WeakPolarHBondContact O-CB 3.23Å; D272-L276 PolarHBondContact O-N 2.82Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3.45Å; L276-L278 PolarHBondContact O-N 3.06Å; L276-S279 PolarHBondContact O-N 3.27Å; L276-Q280 WeakPolarHBondContact O-CG 3.26Å; L276-Q280 PolarHBondContact O-N 3.23Å
277H94.6Very high93.5Very high25 Ų2538 Ų3812%0.11620%0.199CC..Hα-helixtrans-58-50.9177.8173.262.1000111.7L225 L273 L274 S279 Q280 T281L225-H277 HydrophobicContact CD1-CB 3.45Å; L225-H277 VanDerWaalsContact CD1-CB 3.45Å; L225-H277 VanDerWaalsContact CD1-CG 3.47Å; L273-H277 WeakPolarHBondContact O-CB 3.43Å; L273-H277 PolarHBondContact O-N 3.43Å; L274-H277 PolarHBondContact O-N 3.24Å; H277-S279 VanDerWaalsContact C-N 3.31Å; H277-S279 PolarHBondContact O-N 3.28Å; H277-Q280 PolarHBondContact O-N 3.43Å; H277-Q280 VanDerWaalsContact O-N 3.13Å; H277-T281 PolarHBondContact CE1-OG1 3.03Å; H277-T281 PolarHBondContact ND1-OG1 3.07Å; H277-T281 WeakPolarHBondContact O-CB 3.45Å; H277-T281 PolarHBondContact O-N 3.12Å; H277-T281 PolarHBondContact O-OG1 3.35Å
278L95.2Very high93.8Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-62.9-36.7-179.3-65.3179.9000112.8L235 L243 L247 L274 L276 Q280 T281 A282 L323 F329L235-L278 HydrophobicContact CD1-CD2 3.35Å; L235-L278 HydrophobicContact CD2-CD2 3.73Å; L235-L278 HydrophobicContact CG-CD2 4.2Å; L243-L278 HydrophobicContact CD2-CD1 4.38Å; L247-L278 HydrophobicContact CD1-CD1 3.63Å; L274-L278 HydrophobicContact CD1-CD1 4.19Å; L274-L278 HydrophobicContact CD1-CD2 4.39Å; L274-L278 HydrophobicContact CD1-CG 4.05Å; L274-L278 HydrophobicContact CG-CD1 4.01Å; L274-L278 HydrophobicContact CG-CG 4.27Å; L274-L278 VanDerWaalsContact O-CG 3.27Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.23Å; L276-L278 PolarHBondContact O-N 3.06Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 3.36Å; L278-T281 PolarHBondContact O-N 3.38Å; L278-A282 PolarHBondContact O-N 3.36Å; L278-L323 HydrophobicContact CB-CD1 4.34Å; L278-L323 HydrophobicContact CB-CD2 4.35Å; L278-L323 HydrophobicContact CD1-CD2 4.28Å; L278-F329 HydrophobicContact CB-CD1 4.42Å; L278-F329 HydrophobicContact CB-CE1 3.72Å; L278-F329 HydrophobicContact CB-CZ 4.3Å; L278-F329 HydrophobicContact CD1-CE1 4.09Å; L278-F329 HydrophobicContact CD1-CZ 3.82Å
279S94.4Very high94.2Very high11 Ų1139.4 Ų39.48%0.07721%0.206CC..Hα-helixtrans-65-36.1176-54.40000111.9L275 L276 H277 P283L275-S279 WeakPolarHBondContact O-CB 3.26Å; L275-S279 PolarHBondContact O-N 3.26Å; L275-S279 PolarHBondContact O-OG 2.66Å; L276-S279 PolarHBondContact O-N 3.27Å; H277-S279 VanDerWaalsContact C-N 3.31Å; H277-S279 PolarHBondContact O-N 3.28Å; S279-P283 WeakPolarHBondContact O-CD 3.47Å
280Q93.6Very high94.4Very high118 Ų11833.7 Ų33.755%0.55118%0.179SC*.Hα-helixtrans-77.7-33.2176.6-70172.9-14.800112.6L276 H277 L278 P283 V284L276-Q280 WeakPolarHBondContact O-CG 3.26Å; L276-Q280 PolarHBondContact O-N 3.23Å; H277-Q280 PolarHBondContact O-N 3.43Å; H277-Q280 VanDerWaalsContact O-N 3.13Å; L278-Q280 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 3.36Å; Q280-P283 WeakPolarHBondContact O-CD 3.42Å; Q280-V284 WeakPolarHBondContact O-CG2 3.32Å
281T94.8Very high94.5Very high20 Ų2035.5 Ų35.512%0.12319%0.191CC..Hα-helixtrans-72.2-33.4-178.7-58.40000112.2L235 H277 L278 V284 I285L235-T281 HydrophobicContact CD2-CG2 3.93Å; H277-T281 PolarHBondContact CE1-OG1 3.03Å; H277-T281 PolarHBondContact ND1-OG1 3.07Å; H277-T281 WeakPolarHBondContact O-CB 3.45Å; H277-T281 PolarHBondContact O-N 3.12Å; H277-T281 PolarHBondContact O-OG1 3.35Å; L278-T281 PolarHBondContact O-N 3.38Å; T281-V284 WeakPolarHBondContact O-CB 3.31Å; T281-V284 PolarHBondContact O-N 3.01Å; T281-V284 VanDerWaalsContact O-N 3.13Å; T281-I285 HydrophobicContact CG2-CD1 3.92Å; T281-I285 HydrophobicContact CG2-CG1 4.05Å; T281-I285 WeakPolarHBondContact O-CG1 3.44Å; T281-I285 PolarHBondContact O-N 3.43Å
282A94.9Very high94.5Very high0 Ų035.5 Ų35.50%019%0.192CC..Hα-helixtrans-60.3-46.7-17700000114.4L278 V284 I285 M286 V320 L323 I333L278-A282 PolarHBondContact O-N 3.36Å; A282-V284 VanDerWaalsContact C-N 3.3Å; A282-V284 PolarHBondContact O-N 3.22Å; A282-I285 PolarHBondContact O-N 3.04Å; A282-M286 PolarHBondContact O-N 3.01Å; A282-M286 VanDerWaalsContact O-N 3.09Å; A282-V320 HydrophobicContact CB-CG2 4.41Å; A282-L323 HydrophobicContact CB-CD1 3.97Å; A282-I333 HydrophobicContact CB-CD1 3.65Å; A282-I333 HydrophobicContact CB-CG1 4.09Å; A282-I333 HydrophobicContact CB-CG2 4.1Å
283P94.1Very high94.5Very high37 Ų3732 Ų3224%0.2417%0.173CC..Hα-helixtrans-62.2-33.6172-24.434.2000113.8S279 Q280 M286 E287 I333S279-P283 WeakPolarHBondContact O-CD 3.47Å; Q280-P283 WeakPolarHBondContact O-CD 3.42Å; P283-M286 WeakPolarHBondContact O-CB 3.46Å; P283-M286 PolarHBondContact O-N 3.34Å; P283-E287 PolarHBondContact O-N 3.07Å; P283-I333 HydrophobicContact CG-CG2 4.43Å
284V94.9Very high94.4Very high81 Ų8133.7 Ų33.749%0.49117%0.173SC..Hα-helixtrans-66.7-43.7176.5177.90000110.7Q280 T281 A282 M286 E287 D288Q280-V284 WeakPolarHBondContact O-CG2 3.32Å; T281-V284 WeakPolarHBondContact O-CB 3.31Å; T281-V284 PolarHBondContact O-N 3.01Å; T281-V284 VanDerWaalsContact O-N 3.13Å; A282-V284 VanDerWaalsContact C-N 3.3Å; A282-V284 PolarHBondContact O-N 3.22Å; V284-M286 VanDerWaalsContact C-N 3.26Å; V284-M286 PolarHBondContact O-N 3.42Å; V284-E287 PolarHBondContact O-N 3.16Å; V284-D288 PolarHBondContact O-N 3.02Å
285I96.2Very high94Very high1 Ų137.4 Ų37.41%0.00519%0.193CC..Hα-helixtrans-57.6-43.3173.6-67.5173.3000110.6T232 L235 T281 A282 D288 V289 T316 V319 V320T232-I285 HydrophobicContact CG2-CD1 3.54Å; T232-I285 HydrophobicContact CG2-CG1 3.58Å; L235-I285 HydrophobicContact CD2-CD1 4.34Å; T281-I285 HydrophobicContact CG2-CD1 3.92Å; T281-I285 HydrophobicContact CG2-CG1 4.05Å; T281-I285 WeakPolarHBondContact O-CG1 3.44Å; T281-I285 PolarHBondContact O-N 3.43Å; A282-I285 PolarHBondContact O-N 3.04Å; I285-D288 PolarHBondContact O-N 3.4Å; I285-V289 HydrophobicContact CG2-CG2 4.45Å; I285-V289 VanDerWaalsContact O-CG2 3.3Å; I285-V289 WeakPolarHBondContact O-CG2 3.37Å; I285-V289 PolarHBondContact O-N 3.29Å; I285-T316 WeakPolarHBondContact CG2-OG1 3.45Å; I285-V319 HydrophobicContact CD1-CB 3.95Å; I285-V319 HydrophobicContact CD1-CG1 3.78Å; I285-V320 HydrophobicContact CB-CG2 4Å; I285-V320 HydrophobicContact CG2-CG2 3.76Å
286M95.9Very high93.7Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-60.8-46.6177.3-174.461.46600111.2A282 P283 V284 D288 V289 L290 L317 V320 F338 Q341 I342 L345 I378A282-M286 PolarHBondContact O-N 3.01Å; A282-M286 VanDerWaalsContact O-N 3.09Å; P283-M286 WeakPolarHBondContact O-CB 3.46Å; P283-M286 PolarHBondContact O-N 3.34Å; V284-M286 VanDerWaalsContact C-N 3.26Å; V284-M286 PolarHBondContact O-N 3.42Å; M286-D288 PolarHBondContact O-N 2.95Å; M286-V289 PolarHBondContact O-N 2.96Å; M286-L290 HydrophobicContact CG-CD1 4.11Å; M286-L290 WeakPolarHBondContact O-CB 3.44Å; M286-L290 VanDerWaalsContact O-CG 3.26Å; M286-L290 WeakPolarHBondContact O-CG 3.35Å; M286-L290 PolarHBondContact O-N 3.46Å; M286-L290 HydrophobicContact SD-CG 4.5Å; M286-L317 HydrophobicContact CE-CD1 3.54Å; M286-L317 HydrophobicContact SD-CD1 4.07Å; M286-V320 HydrophobicContact CE-CG1 3.94Å; M286-F338 HydrophobicContact CB-CE2 4.18Å; M286-F338 HydrophobicContact CE-CE2 4.06Å; M286-F338 HydrophobicContact CE-CZ 4.04Å; M286-F338 HydrophobicContact CG-CE2 4.27Å; M286-Q341 HydrophobicContact CG-CB 3.76Å; M286-Q341 HydrophobicContact CG-CG 4.39Å; M286-I342 HydrophobicContact CE-CD1 3.53Å; M286-I342 HydrophobicContact SD-CD1 4.32Å; M286-L345 HydrophobicContact CE-CD2 4.25Å; M286-L345 HydrophobicContact SD-CD2 3.95Å; M286-I378 HydrophobicContact CE-CD1 4.35Å
287E95.8Very high93.1Very high76 Ų7637.2 Ų37.236%0.35519%0.192SC..Hα-helixtrans-63.3-41.3177.4-168.961.7-153.900112.2P283 V284 V289 L290 S291 R294 Q341P283-E287 PolarHBondContact O-N 3.07Å; V284-E287 PolarHBondContact O-N 3.16Å; E287-V289 PolarHBondContact O-N 3.24Å; E287-L290 PolarHBondContact O-N 3.49Å; E287-S291 WeakPolarHBondContact O-CB 3.45Å; E287-S291 PolarHBondContact O-N 3.34Å; E287-S291 PolarHBondContact O-OG 3Å; E287-R294 IonicContact OE1-NH2 2.73Å; E287-Q341 PolarHBondContact OE2-NE2 3.44Å
288D95Very high92.3Very high72 Ų7238.7 Ų38.739%0.38521%0.214SC..Hα-helixtrans-61.1-44.4176.2-73.7-19.4000111.4V284 I285 M286 S291 A292 T313V284-D288 PolarHBondContact O-N 3.02Å; I285-D288 PolarHBondContact O-N 3.4Å; M286-D288 PolarHBondContact O-N 2.95Å; D288-S291 PolarHBondContact O-N 2.77Å; D288-S291 PolarHBondContact O-OG 3.24Å; D288-A292 WeakPolarHBondContact O-CB 3.33Å; D288-A292 PolarHBondContact O-N 3.43Å; D288-T313 HydrophobicContact CB-CG2 4.16Å
289V95.6Very high91.4Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-62-47.2175.4168.70000110.6I285 M286 E287 S291 A292 L293 T313 L314 L317 L345I285-V289 HydrophobicContact CG2-CG2 4.45Å; I285-V289 VanDerWaalsContact O-CG2 3.3Å; I285-V289 WeakPolarHBondContact O-CG2 3.37Å; I285-V289 PolarHBondContact O-N 3.29Å; M286-V289 PolarHBondContact O-N 2.96Å; E287-V289 PolarHBondContact O-N 3.24Å; V289-S291 VanDerWaalsContact C-N 3.34Å; V289-S291 PolarHBondContact O-N 3.1Å; V289-A292 PolarHBondContact O-N 2.85Å; V289-L293 HydrophobicContact CG1-CD1 3.94Å; V289-L293 WeakPolarHBondContact O-CG 3.48Å; V289-L293 PolarHBondContact O-N 3.07Å; V289-T313 HydrophobicContact CG2-CG2 3.92Å; V289-L314 HydrophobicContact CG1-CD2 4.09Å; V289-L317 HydrophobicContact CG2-CB 4.39Å; V289-L345 HydrophobicContact CG1-CD1 4.41Å
290L95.6Very high90.2Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-63.9-38.6179.3-71.3173.5000112.3M286 E287 L293 R294 Q341 L344 L345 Y348M286-L290 HydrophobicContact CG-CD1 4.11Å; M286-L290 WeakPolarHBondContact O-CB 3.44Å; M286-L290 VanDerWaalsContact O-CG 3.26Å; M286-L290 WeakPolarHBondContact O-CG 3.35Å; M286-L290 PolarHBondContact O-N 3.46Å; M286-L290 HydrophobicContact SD-CG 4.5Å; E287-L290 PolarHBondContact O-N 3.49Å; L290-L293 PolarHBondContact O-N 2.94Å; L290-R294 VanDerWaalsContact O-CB 3.28Å; L290-R294 WeakPolarHBondContact O-CB 3.27Å; L290-R294 PolarHBondContact O-N 3.21Å; L290-Q341 HydrophobicContact CD1-CB 3.6Å; L290-Q341 HydrophobicContact CD1-CG 3.72Å; L290-L344 HydrophobicContact CD1-CB 4.45Å; L290-L344 HydrophobicContact CD2-CB 4.03Å; L290-L345 HydrophobicContact CD2-CB 3.95Å; L290-L345 HydrophobicContact CD2-CD1 4.38Å; L290-Y348 HydrophobicContact CD2-CD2 3.83Å; L290-Y348 HydrophobicContact CD2-CE2 3.73Å
291S94.5Very high89.4Confident42 Ų4252.2 Ų52.229%0.29427%0.268SS..Hα-helixtrans-64.5-45.2176.573.60000111.4E287 D288 V289 L293 R294 D295E287-S291 WeakPolarHBondContact O-CB 3.45Å; E287-S291 PolarHBondContact O-N 3.34Å; E287-S291 PolarHBondContact O-OG 3Å; D288-S291 PolarHBondContact O-N 2.77Å; D288-S291 PolarHBondContact O-OG 3.24Å; V289-S291 VanDerWaalsContact C-N 3.34Å; V289-S291 PolarHBondContact O-N 3.1Å; S291-L293 VanDerWaalsContact C-N 3.31Å; S291-L293 PolarHBondContact O-N 2.94Å; S291-R294 WeakPolarHBondContact O-CB 3.37Å; S291-R294 PolarHBondContact O-N 2.76Å; S291-D295 PolarHBondContact O-N 3.36Å; S291-D295 VanDerWaalsContact O-N 3.1Å
292A92.3Very high88.8Confident3 Ų352 Ų523%0.02527%0.267CS..Hα-helixtrans-63.7-36.4177.300000112.3D288 V289 L310 T313D288-A292 WeakPolarHBondContact O-CB 3.33Å; D288-A292 PolarHBondContact O-N 3.43Å; V289-A292 PolarHBondContact O-N 2.85Å; A292-L310 HydrophobicContact CB-CD2 3.99Å; A292-T313 HydrophobicContact CB-CG2 4.3Å
293L91.3Very high88.4Confident5 Ų554.7 Ų54.73%0.02629%0.286CS..Hα-helixtrans-71.5-41.1174.6-71172.9000112.1V289 L290 S291 D295 V296 I297 L310 L314 L345 Y348 L359 L371V289-L293 HydrophobicContact CG1-CD1 3.94Å; V289-L293 WeakPolarHBondContact O-CG 3.48Å; V289-L293 PolarHBondContact O-N 3.07Å; L290-L293 PolarHBondContact O-N 2.94Å; S291-L293 VanDerWaalsContact C-N 3.31Å; S291-L293 PolarHBondContact O-N 2.94Å; L293-D295 PolarHBondContact O-N 3.17Å; L293-V296 PolarHBondContact O-N 3.35Å; L293-I297 PolarHBondContact O-N 2.84Å; L293-I297 VanDerWaalsContact O-N 3.16Å; L293-L310 HydrophobicContact CD2-CD2 4.23Å; L293-L314 HydrophobicContact CD1-CD2 4.46Å; L293-L314 HydrophobicContact CD2-CD2 3.9Å; L293-L314 HydrophobicContact CG-CD2 4.09Å; L293-L345 HydrophobicContact CD1-CD1 3.85Å; L293-Y348 HydrophobicContact CB-CD1 4.03Å; L293-Y348 HydrophobicContact CB-CD2 4.18Å; L293-Y348 HydrophobicContact CB-CE1 4.2Å; L293-Y348 HydrophobicContact CB-CE2 4.39Å; L293-Y348 HydrophobicContact CB-CG 4.03Å; L293-Y348 HydrophobicContact CD1-CD2 4.26Å; L293-Y348 HydrophobicContact CD1-CG 4.27Å; L293-L359 HydrophobicContact CD2-CD1 4.35Å; L293-L359 HydrophobicContact CD2-CD2 4.21Å; L293-L371 HydrophobicContact CD1-CD2 4.43Å; L293-L371 HydrophobicContact CD2-CD2 4.13Å
294R91.1Very high88Confident124 Ų12457.1 Ų57.147%0.46831%0.309SS..Hα-helixtrans-56.7-39.5176.9-169-178.5-60.6167.67.4111.7E287 L290 S291 V296 I297 Y348E287-R294 IonicContact OE1-NH2 2.73Å; L290-R294 VanDerWaalsContact O-CB 3.28Å; L290-R294 WeakPolarHBondContact O-CB 3.27Å; L290-R294 PolarHBondContact O-N 3.21Å; S291-R294 WeakPolarHBondContact O-CB 3.37Å; S291-R294 PolarHBondContact O-N 2.76Å; R294-V296 PolarHBondContact O-N 3.27Å; R294-V296 VanDerWaalsContact O-N 3.15Å; R294-I297 WeakPolarHBondContact O-CG2 3.35Å; R294-Y348 WeakPolarHBondContact CA-OH 3.38Å; R294-Y348 VanDerWaalsContact CB-OH 3.27Å; R294-Y348 WeakPolarHBondContact CB-OH 3.36Å
295D87.3Confident87.6Confident80 Ų8056.7 Ų56.743%0.42831%0.314SS..THydrogen-bonded Turntrans-65.1-16.4179.5-75.3-18.1000113.5S291 L293 R299 Q306S291-D295 PolarHBondContact O-N 3.36Å; S291-D295 VanDerWaalsContact O-N 3.1Å; L293-D295 PolarHBondContact O-N 3.17Å; D295-R299 PolarHBondContact O-NH1 3.01Å; D295-Q306 PolarHBondContact O-NE2 3.26Å
296V86.1Confident87.2Confident1 Ų158.5 Ų58.51%0.00632%0.322CS..THydrogen-bonded Turntrans-116.7-9.9-173.5-1780000113.1L293 R294 G298 R299 P302 Q306 L310 T357L293-V296 PolarHBondContact O-N 3.35Å; R294-V296 PolarHBondContact O-N 3.27Å; R294-V296 VanDerWaalsContact O-N 3.15Å; V296-G298 PolarHBondContact O-N 3.45Å; V296-R299 WeakPolarHBondContact O-CB 3.23Å; V296-R299 PolarHBondContact O-N 3.36Å; V296-R299 VanDerWaalsContact O-N 3.1Å; V296-P302 HydrophobicContact CG1-CB 3.9Å; V296-P302 HydrophobicContact CG1-CG 3.75Å; V296-P302 HydrophobicContact CG2-CB 4.37Å; V296-Q306 HydrophobicContact CG2-CB 4.11Å; V296-Q306 HydrophobicContact CG2-CG 4.37Å; V296-L310 HydrophobicContact CB-CD1 4.46Å; V296-L310 HydrophobicContact CG1-CD1 4.45Å; V296-L310 HydrophobicContact CG2-CD1 3.86Å; V296-T357 HydrophobicContact CG1-CG2 4.21Å; V296-T357 WeakPolarHBondContact O-CG2 3.44Å
297I82.6Confident86.9Confident85 Ų8559.1 Ų59.144%0.43633%0.327SS..THydrogen-bonded Turntrans-54.5134.8-177.8-156.3-178.9000112.6L293 R294 R299 Y348L293-I297 PolarHBondContact O-N 2.84Å; L293-I297 VanDerWaalsContact O-N 3.16Å; R294-I297 WeakPolarHBondContact O-CG2 3.35Å; I297-R299 PolarHBondContact O-N 3.48Å; I297-Y348 HydrophobicContact CB-CD1 4.39Å; I297-Y348 HydrophobicContact CB-CE1 4.01Å; I297-Y348 HydrophobicContact CD1-CD1 3.84Å; I297-Y348 HydrophobicContact CD1-CE1 3.63Å; I297-Y348 HydrophobicContact CG1-CD1 4.12Å; I297-Y348 HydrophobicContact CG1-CE1 4.07Å
298G76.8Confident86.6Confident56 Ų5661.9 Ų61.958%0.57734%0.338SS*.THydrogen-bonded Turntrans742.4179.900000115.1V296 T357V296-G298 PolarHBondContact O-N 3.45Å; G298-T357 PolarHBondContact N-OG1 3.04Å
299R76.6Confident86.4Confident123 Ų12362.1 Ų62.146%0.46434%0.336SS..  trans-97.7135.1176.4-61-170.5-178.4132.87.7111.3D295 V296 I297 N358D295-R299 PolarHBondContact O-NH1 3.01Å; V296-R299 WeakPolarHBondContact O-CB 3.23Å; V296-R299 PolarHBondContact O-N 3.36Å; V296-R299 VanDerWaalsContact O-N 3.1Å; I297-R299 PolarHBondContact O-N 3.48Å; R299-N358 PolarHBondContact O-N 2.97Å
300K69.8Low86.2Confident144 Ų14462.2 Ų62.263%0.62634%0.337SS*.SBendtrans-80.2-25.7175.1-66.6-172.2178-1770113.5S361K300-S361 PolarHBondContact O-OG 3.29Å
301H76.7Confident86Confident147 Ų14767.1 Ų67.168%0.68136%0.358SS*.SBendtrans-136.5102.7-178.3-59.7-54.7000110.1
302P81.8Confident85.8Confident15 Ų1569.6 Ų69.610%0.09737%0.365CS..  trans-66146.5173.4-7.220.4000110.2V296 Q306V296-P302 HydrophobicContact CG1-CB 3.9Å; V296-P302 HydrophobicContact CG1-CG 3.75Å; V296-P302 HydrophobicContact CG2-CB 4.37Å; P302-Q306 HydrophobicContact CB-CB 4.25Å
303S86.1Confident85.8Confident56 Ų5670.7 Ų70.739%0.39237%0.371SS..  trans-63.4162.4173.466.50000111.7A305 Q306 S307S303-A305 VanDerWaalsContact C-N 3.25Å; S303-A305 PolarHBondContact O-N 3.12Å; S303-Q306 PolarHBondContact O-N 3.12Å; S303-Q306 WeakPolarHBondContact OG-CB 3.43Å; S303-Q306 VanDerWaalsContact OG-CD 3.23Å; S303-Q306 VanDerWaalsContact OG-CG 3.27Å; S303-Q306 WeakPolarHBondContact OG-CG 3.42Å; S303-Q306 PolarHBondContact OG-N 3.27Å; S303-Q306 PolarHBondContact OG-OE1 3.1Å; S303-S307 WeakPolarHBondContact O-CB 3.48Å; S303-S307 PolarHBondContact O-N 3.42Å; S303-S307 PolarHBondContact O-OG 3.11Å
304A85.4Confident86Confident88 Ų8870.7 Ų70.773%0.72737%0.371SS*.Hα-helixtrans-59.7-35.9177.300000112.6K308A304-K308 WeakPolarHBondContact O-CB 3.44Å; A304-K308 PolarHBondContact O-N 3.32Å
305A87.3Confident86.2Confident73 Ų7366.9 Ų66.960%0.60336%0.363SS*.Hα-helixtrans-66.7-47.5175.900000111.8S303 S307 K308 Q309S303-A305 VanDerWaalsContact C-N 3.25Å; S303-A305 PolarHBondContact O-N 3.12Å; A305-S307 PolarHBondContact O-N 2.96Å; A305-K308 PolarHBondContact O-N 3.18Å; A305-Q309 PolarHBondContact O-N 3.15Å
306Q88.3Confident86.6Confident38 Ų3863.4 Ų63.418%0.17834%0.344CS..Hα-helixtrans-63.2-41.6176.4-73.4163.2-32.600112D295 V296 P302 S303 K308 Q309 L310D295-Q306 PolarHBondContact O-NE2 3.26Å; V296-Q306 HydrophobicContact CG2-CB 4.11Å; V296-Q306 HydrophobicContact CG2-CG 4.37Å; P302-Q306 HydrophobicContact CB-CB 4.25Å; S303-Q306 PolarHBondContact O-N 3.12Å; S303-Q306 WeakPolarHBondContact OG-CB 3.43Å; S303-Q306 VanDerWaalsContact OG-CD 3.23Å; S303-Q306 VanDerWaalsContact OG-CG 3.27Å; S303-Q306 WeakPolarHBondContact OG-CG 3.42Å; S303-Q306 PolarHBondContact OG-N 3.27Å; S303-Q306 PolarHBondContact OG-OE1 3.1Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 3.36Å; Q306-Q309 PolarHBondContact O-N 3.22Å; Q306-L310 WeakPolarHBondContact O-CB 3.36Å; Q306-L310 VanDerWaalsContact O-CG 3.32Å; Q306-L310 WeakPolarHBondContact O-CG 3.27Å; Q306-L310 PolarHBondContact O-N 3.06Å
307S88.2Confident87Confident13 Ų1363.4 Ų63.49%0.09134%0.344CS..Hα-helixtrans-62-39.1176.4-61.20000111.7S303 A305 K311S303-S307 WeakPolarHBondContact O-CB 3.48Å; S303-S307 PolarHBondContact O-N 3.42Å; S303-S307 PolarHBondContact O-OG 3.11Å; A305-S307 PolarHBondContact O-N 2.96Å; S307-K311 VanDerWaalsContact O-CG 3.27Å; S307-K311 WeakPolarHBondContact O-CG 3.37Å; S307-K311 PolarHBondContact O-N 3.15Å
308K89.7Confident87.7Confident135 Ų13560.7 Ų60.759%0.58733%0.333SS*.Hα-helixtrans-66.4-44.7175.1-174.7-178.9177.2-175.30111.5A304 A305 Q306 K311 Q312A304-K308 WeakPolarHBondContact O-CB 3.44Å; A304-K308 PolarHBondContact O-N 3.32Å; A305-K308 PolarHBondContact O-N 3.18Å; Q306-K308 VanDerWaalsContact C-N 3.3Å; Q306-K308 PolarHBondContact O-N 3.36Å; K308-K311 PolarHBondContact O-N 3.02Å; K308-Q312 WeakPolarHBondContact O-CG 3.47Å; K308-Q312 PolarHBondContact O-N 3.18Å
309Q91.3Very high88.6Confident76 Ų7658 Ų5836%0.35531%0.306SS..Hα-helixtrans-60.2-48.8176.3-176-179.8-3.200111A305 Q306 K311 Q312 T313A305-Q309 PolarHBondContact O-N 3.15Å; Q306-Q309 PolarHBondContact O-N 3.22Å; Q309-K311 PolarHBondContact O-N 3.16Å; Q309-Q312 CarbonylContact O-C 3.6Å; Q309-Q312 WeakPolarHBondContact O-CB 3.37Å; Q309-Q312 PolarHBondContact O-N 3.24Å; Q309-T313 PolarHBondContact O-N 3.22Å; Q309-T313 PolarHBondContact O-OG1 3.14Å; Q309-T313 VanDerWaalsContact O-OG1 3.08Å
310L90.8Very high89.6Confident2 Ų252.2 Ų52.21%0.0128%0.284CS..Hα-helixtrans-59.6-42.4177.4-73.6167.1000113A292 L293 V296 Q306 Q312 T313 L314 L359 V363A292-L310 HydrophobicContact CB-CD2 3.99Å; L293-L310 HydrophobicContact CD2-CD2 4.23Å; V296-L310 HydrophobicContact CB-CD1 4.46Å; V296-L310 HydrophobicContact CG1-CD1 4.45Å; V296-L310 HydrophobicContact CG2-CD1 3.86Å; Q306-L310 WeakPolarHBondContact O-CB 3.36Å; Q306-L310 VanDerWaalsContact O-CG 3.32Å; Q306-L310 WeakPolarHBondContact O-CG 3.27Å; Q306-L310 PolarHBondContact O-N 3.06Å; L310-Q312 PolarHBondContact O-N 3.3Å; L310-T313 PolarHBondContact O-N 3.1Å; L310-L314 HydrophobicContact CB-CD1 4.21Å; L310-L314 HydrophobicContact CB-CG 4.39Å; L310-L314 HydrophobicContact CD2-CD1 4.12Å; L310-L314 HydrophobicContact CD2-CD2 4.07Å; L310-L314 HydrophobicContact CD2-CG 4.09Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 VanDerWaalsContact O-CG 3.25Å; L310-L314 WeakPolarHBondContact O-CG 3.07Å; L310-L314 PolarHBondContact O-N 3.48Å; L310-L359 HydrophobicContact CD1-CD2 3.71Å; L310-L359 HydrophobicContact CD2-CD2 4.28Å; L310-V363 HydrophobicContact CB-CG2 3.66Å; L310-V363 HydrophobicContact CD1-CG2 3.8Å; L310-V363 HydrophobicContact CG-CG2 4.38Å
311K91.4Very high90.8Very high104 Ų10447 Ų4745%0.45226%0.262SS..Hα-helixtrans-61.4-26.4176-75.8176.5-175178.70113S307 K308 Q309 G362 V363 I367S307-K311 VanDerWaalsContact O-CG 3.27Å; S307-K311 WeakPolarHBondContact O-CG 3.37Å; S307-K311 PolarHBondContact O-N 3.15Å; K308-K311 PolarHBondContact O-N 3.02Å; Q309-K311 PolarHBondContact O-N 3.16Å; K311-G362 WeakPolarHBondContact CE-O 3.39Å; K311-G362 PolarHBondContact NZ-O 3.4Å; K311-V363 WeakPolarHBondContact CE-O 3.48Å; K311-V363 HydrophobicContact CG-CB 4.48Å; K311-V363 HydrophobicContact CG-CG1 3.71Å; K311-I367 HydrophobicContact CG-CD1 4.19Å
312Q91.1Very high91.7Very high94 Ų9442.6 Ų42.644%0.43924%0.242SC..Hα-helixtrans-87.1-46.7176.9-69.6177.2-27.800110.9H233 K308 Q309 L310H233-Q312 PolarHBondContact CE1-O 2.87Å; H233-Q312 PolarHBondContact NE2-O 3.21Å; K308-Q312 WeakPolarHBondContact O-CG 3.47Å; K308-Q312 PolarHBondContact O-N 3.18Å; Q309-Q312 CarbonylContact O-C 3.6Å; Q309-Q312 WeakPolarHBondContact O-CB 3.37Å; Q309-Q312 PolarHBondContact O-N 3.24Å; L310-Q312 PolarHBondContact O-N 3.3Å
313T93.5Very high92.4Very high25 Ų2542 Ų4215%0.15324%0.238CC..Hα-helixtrans-78.1-43.1-172.4-50.60000113.3D288 V289 A292 Q309 L310 T316D288-T313 HydrophobicContact CB-CG2 4.16Å; V289-T313 HydrophobicContact CG2-CG2 3.92Å; A292-T313 HydrophobicContact CB-CG2 4.3Å; Q309-T313 PolarHBondContact O-N 3.22Å; Q309-T313 PolarHBondContact O-OG1 3.14Å; Q309-T313 VanDerWaalsContact O-OG1 3.08Å; L310-T313 PolarHBondContact O-N 3.1Å; T313-T316 PolarHBondContact O-N 2.93Å; T313-T316 VanDerWaalsContact O-N 3.12Å; T313-T316 PolarHBondContact O-OG1 2.95Å
314L94.1Very high92.8Very high5 Ų539.3 Ų39.33%0.02622%0.219CC..G310 helixtrans-60-41.1-172.1-61.5178.6000114.7V289 L293 L310 T316 L317 V363 I367 L371V289-L314 HydrophobicContact CG1-CD2 4.09Å; L293-L314 HydrophobicContact CD1-CD2 4.46Å; L293-L314 HydrophobicContact CD2-CD2 3.9Å; L293-L314 HydrophobicContact CG-CD2 4.09Å; L310-L314 HydrophobicContact CB-CD1 4.21Å; L310-L314 HydrophobicContact CB-CG 4.39Å; L310-L314 HydrophobicContact CD2-CD1 4.12Å; L310-L314 HydrophobicContact CD2-CD2 4.07Å; L310-L314 HydrophobicContact CD2-CG 4.09Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 VanDerWaalsContact O-CG 3.25Å; L310-L314 WeakPolarHBondContact O-CG 3.07Å; L310-L314 PolarHBondContact O-N 3.48Å; L314-T316 PolarHBondContact O-N 3.2Å; L314-T316 VanDerWaalsContact O-N 3.17Å; L314-L317 WeakPolarHBondContact O-CB 3.03Å; L314-L317 PolarHBondContact O-N 3.37Å; L314-V363 HydrophobicContact CD1-CG1 4.26Å; L314-I367 HydrophobicContact CB-CG2 4.17Å; L314-I367 HydrophobicContact CD1-CG2 4.11Å; L314-L371 HydrophobicContact CD1-CD2 4.17Å; L314-L371 HydrophobicContact CD2-CD1 4.11Å; L314-L371 HydrophobicContact CD2-CD2 4.05Å
315P94.9Very high93.1Very high45 Ų4538.1 Ų38.129%0.29221%0.206SC..G310 helixtrans-62.3-22.1178.7-25.336.2000114.5L236 L317 S318L236-P315 HydrophobicContact CD2-CB 4.03Å; P315-L317 PolarHBondContact O-N 2.74Å; P315-S318 PolarHBondContact O-N 3.03Å; P315-S318 PolarHBondContact O-OG 3.16Å
316T95.4Very high93.3Very high6 Ų634.7 Ų34.74%0.03718%0.178CC..G310 helixtrans-68.9-18-179.668.10000112.3T232 I285 T313 L314 S318 V319T232-T316 HydrophobicContact CG2-CG2 3.72Å; I285-T316 WeakPolarHBondContact CG2-OG1 3.45Å; T313-T316 PolarHBondContact O-N 2.93Å; T313-T316 VanDerWaalsContact O-N 3.12Å; T313-T316 PolarHBondContact O-OG1 2.95Å; L314-T316 PolarHBondContact O-N 3.2Å; L314-T316 VanDerWaalsContact O-N 3.17Å; T316-S318 PolarHBondContact O-N 3.4Å; T316-S318 VanDerWaalsContact O-N 3.15Å; T316-V319 VanDerWaalsContact O-CB 3.23Å; T316-V319 WeakPolarHBondContact O-CB 3.25Å; T316-V319 WeakPolarHBondContact O-CG2 3.28Å; T316-V319 PolarHBondContact O-N 2.78Å
317L96.4Very high93.2Very high1 Ų139.4 Ų39.41%0.00520%0.199CC..Hα-helixtrans-56.9-30175.1-173.765.2000112.7M286 V289 L314 P315 V319 V320 L321 L345 L371 T374 S375 I378M286-L317 HydrophobicContact CE-CD1 3.54Å; M286-L317 HydrophobicContact SD-CD1 4.07Å; V289-L317 HydrophobicContact CG2-CB 4.39Å; L314-L317 WeakPolarHBondContact O-CB 3.03Å; L314-L317 PolarHBondContact O-N 3.37Å; P315-L317 PolarHBondContact O-N 2.74Å; L317-V319 PolarHBondContact O-N 3.24Å; L317-V320 HydrophobicContact CD1-CB 4.36Å; L317-V320 HydrophobicContact CD1-CG2 4.37Å; L317-V320 WeakPolarHBondContact O-CB 3.41Å; L317-V320 PolarHBondContact O-N 2.78Å; L317-L321 PolarHBondContact O-N 2.85Å; L317-L345 HydrophobicContact CD1-CD2 4.36Å; L317-L345 HydrophobicContact CD2-CD2 4.13Å; L317-L371 HydrophobicContact CD2-CD1 3.62Å; L317-T374 HydrophobicContact CB-CG2 4.29Å; L317-T374 HydrophobicContact CD2-CG2 4.02Å; L317-T374 HydrophobicContact CG-CG2 3.85Å; L317-S375 WeakPolarHBondContact CD2-OG 3.45Å; L317-I378 HydrophobicContact CD1-CD1 3.74Å; L317-I378 HydrophobicContact CD2-CD1 4.33Å; L317-I378 HydrophobicContact CG-CD1 3.87Å
318S95.8Very high93.2Very high29 Ų2939.9 Ų39.920%0.20320%0.202CC..Hα-helixtrans-61.8-24.5176.1600000113.3L236 P315 T316 V320 L321 E322L236-S318 WeakPolarHBondContact CD1-OG 3.44Å; P315-S318 PolarHBondContact O-N 3.03Å; P315-S318 PolarHBondContact O-OG 3.16Å; T316-S318 PolarHBondContact O-N 3.4Å; T316-S318 VanDerWaalsContact O-N 3.15Å; S318-V320 VanDerWaalsContact C-N 3.35Å; S318-L321 PolarHBondContact O-N 3.43Å; S318-E322 PolarHBondContact O-N 3.16Å
319V96.6Very high93.3Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-62.2-44.3169.9176.60000110.6L235 L236 I285 T316 L317 L321 E322 L323L235-V319 HydrophobicContact CD2-CG1 3.74Å; L235-V319 HydrophobicContact CG-CG1 3.83Å; L235-V319 HydrophobicContact CG-CG2 4.3Å; L236-V319 VanDerWaalsContact CA-CG2 3.44Å; L236-V319 HydrophobicContact CB-CG2 3.78Å; L236-V319 HydrophobicContact CD1-CG2 3.94Å; I285-V319 HydrophobicContact CD1-CB 3.95Å; I285-V319 HydrophobicContact CD1-CG1 3.78Å; T316-V319 VanDerWaalsContact O-CB 3.23Å; T316-V319 WeakPolarHBondContact O-CB 3.25Å; T316-V319 WeakPolarHBondContact O-CG2 3.28Å; T316-V319 PolarHBondContact O-N 2.78Å; L317-V319 PolarHBondContact O-N 3.24Å; V319-L321 VanDerWaalsContact C-N 3.32Å; V319-L321 PolarHBondContact O-N 3.03Å; V319-E322 PolarHBondContact O-N 3.08Å; V319-L323 HydrophobicContact CG1-CD1 3.81Å; V319-L323 HydrophobicContact CG1-CG 4.29Å; V319-L323 WeakPolarHBondContact O-CB 3.11Å; V319-L323 VanDerWaalsContact O-CG 3.26Å; V319-L323 WeakPolarHBondContact O-CG 3.25Å; V319-L323 PolarHBondContact O-N 3.19Å
320V97Very high93.3Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-62.6-43.5179.1-177.50000110A282 I285 M286 L317 S318 L323 L324 F338 I378A282-V320 HydrophobicContact CB-CG2 4.41Å; I285-V320 HydrophobicContact CB-CG2 4Å; I285-V320 HydrophobicContact CG2-CG2 3.76Å; M286-V320 HydrophobicContact CE-CG1 3.94Å; L317-V320 HydrophobicContact CD1-CB 4.36Å; L317-V320 HydrophobicContact CD1-CG2 4.37Å; L317-V320 WeakPolarHBondContact O-CB 3.41Å; L317-V320 PolarHBondContact O-N 2.78Å; S318-V320 VanDerWaalsContact C-N 3.35Å; V320-L323 PolarHBondContact O-N 2.71Å; V320-L324 HydrophobicContact CG1-CD1 3.87Å; V320-L324 HydrophobicContact CG1-CG 4.27Å; V320-L324 WeakPolarHBondContact O-CB 3.4Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 3.25Å; V320-L324 PolarHBondContact O-N 3.42Å; V320-F338 HydrophobicContact CG1-CE2 4.08Å; V320-F338 HydrophobicContact CG1-CZ 3.73Å; V320-I378 HydrophobicContact CB-CD1 4.3Å; V320-I378 HydrophobicContact CG1-CD1 4.22Å
321L96.3Very high93.1Very high34 Ų3434.3 Ų34.318%0.17819%0.189CC..Hα-helixtrans-59.4-49.1175.417659.7000112.2L317 S318 V319 L323 L324 S325 T374 I378 V381L317-L321 PolarHBondContact O-N 2.85Å; S318-L321 PolarHBondContact O-N 3.43Å; V319-L321 VanDerWaalsContact C-N 3.32Å; V319-L321 PolarHBondContact O-N 3.03Å; L321-L323 PolarHBondContact O-N 3.11Å; L321-L324 PolarHBondContact O-N 3.39Å; L321-S325 WeakPolarHBondContact O-CB 3.18Å; L321-S325 PolarHBondContact O-N 3.38Å; L321-S325 PolarHBondContact O-OG 3.01Å; L321-T374 HydrophobicContact CB-CG2 3.97Å; L321-T374 HydrophobicContact CD2-CG2 3.98Å; L321-I378 HydrophobicContact CB-CD1 4.34Å; L321-I378 HydrophobicContact CB-CG1 3.82Å; L321-I378 HydrophobicContact CD1-CG1 3.95Å; L321-I378 HydrophobicContact CG-CG1 4.45Å; L321-V381 HydrophobicContact CD1-CG2 4.08Å
322E95.1Very high93Very high56 Ų5635.5 Ų35.526%0.26219%0.191SC..Hα-helixtrans-65.9-39.1-177.2-160.9-179.8143.500112C239 V244 S318 V319 S325C239-E322 WeakPolarHBondContact CA-OE2 3.47Å; C239-E322 WeakPolarHBondContact CB-OE2 3.42Å; C239-E322 VanDerWaalsContact O-OE2 3.1Å; V244-E322 HydrophobicContact CB-CG 4.38Å; V244-E322 HydrophobicContact CG2-CG 3.86Å; V244-E322 WeakPolarHBondContact CG2-OE1 3.26Å; S318-E322 PolarHBondContact O-N 3.16Å; V319-E322 PolarHBondContact O-N 3.08Å; E322-S325 PolarHBondContact O-N 3.46Å
323L95.6Very high93.2Very high1 Ų131 Ų311%0.00517%0.17CC..Hα-helixtrans-66.5-45.9174.8-66.7175.3000111.4V244 L278 A282 V319 V320 L321 S325 S326 F329 I333V244-L323 HydrophobicContact CG2-CD2 4.04Å; L278-L323 HydrophobicContact CB-CD1 4.34Å; L278-L323 HydrophobicContact CB-CD2 4.35Å; L278-L323 HydrophobicContact CD1-CD2 4.28Å; A282-L323 HydrophobicContact CB-CD1 3.97Å; V319-L323 HydrophobicContact CG1-CD1 3.81Å; V319-L323 HydrophobicContact CG1-CG 4.29Å; V319-L323 WeakPolarHBondContact O-CB 3.11Å; V319-L323 VanDerWaalsContact O-CG 3.26Å; V319-L323 WeakPolarHBondContact O-CG 3.25Å; V319-L323 PolarHBondContact O-N 3.19Å; V320-L323 PolarHBondContact O-N 2.71Å; L321-L323 PolarHBondContact O-N 3.11Å; L323-S325 PolarHBondContact O-N 2.96Å; L323-S326 WeakPolarHBondContact O-CB 3.39Å; L323-S326 PolarHBondContact O-N 3.38Å; L323-F329 HydrophobicContact CB-CB 4.29Å; L323-F329 HydrophobicContact CB-CG 4.42Å; L323-F329 HydrophobicContact CD2-CD1 4.25Å; L323-F329 HydrophobicContact CD2-CD2 3.81Å; L323-F329 HydrophobicContact CD2-CE1 4.18Å; L323-F329 HydrophobicContact CD2-CE2 3.75Å; L323-F329 HydrophobicContact CD2-CG 4.05Å; L323-F329 HydrophobicContact CD2-CZ 3.92Å; L323-F329 WeakPolarHBondContact O-CB 3.34Å; L323-I333 HydrophobicContact CB-CD1 3.8Å; L323-I333 HydrophobicContact CD1-CD1 4.43Å
324L94.5Very high93.2Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-64.5-28.4177.3-73.7176.7000113V320 L321 S326 R330 I333 V334 F338 I378 V381V320-L324 HydrophobicContact CG1-CD1 3.87Å; V320-L324 HydrophobicContact CG1-CG 4.27Å; V320-L324 WeakPolarHBondContact O-CB 3.4Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 3.25Å; V320-L324 PolarHBondContact O-N 3.42Å; L321-L324 PolarHBondContact O-N 3.39Å; L324-S326 PolarHBondContact O-N 3.45Å; L324-R330 HydrophobicContact CD2-CG 4.33Å; L324-R330 VanDerWaalsContact O-CZ 3.23Å; L324-R330 PolarHBondContact O-NE 2.94Å; L324-R330 PolarHBondContact O-NH2 3.15Å; L324-I333 HydrophobicContact CD2-CB 4.09Å; L324-I333 HydrophobicContact CD2-CD1 4.49Å; L324-I333 HydrophobicContact CD2-CG2 3.89Å; L324-V334 HydrophobicContact CD2-CG2 3.72Å; L324-F338 HydrophobicContact CD1-CE1 3.92Å; L324-F338 HydrophobicContact CD1-CZ 3.86Å; L324-F338 HydrophobicContact CD2-CE1 4.36Å; L324-I378 HydrophobicContact CD1-CG1 4.41Å; L324-I378 HydrophobicContact CD1-CG2 3.61Å; L324-V381 HydrophobicContact CB-CG1 4.21Å; L324-V381 WeakPolarHBondContact O-CG1 3.42Å
325S92.6Very high93.1Very high63 Ų6332 Ų3244%0.44118%0.176SC..Hα-helixtrans-66-21.8175.3-60.40000112.2L321 E322 L323 R330L321-S325 WeakPolarHBondContact O-CB 3.18Å; L321-S325 PolarHBondContact O-N 3.38Å; L321-S325 PolarHBondContact O-OG 3.01Å; E322-S325 PolarHBondContact O-N 3.46Å; L323-S325 PolarHBondContact O-N 2.96Å; S325-R330 PolarHBondContact O-NH2 3.25Å
326S91.4Very high93Very high2 Ų235 Ų351%0.01419%0.186CC..SBendtrans-87.2132.5173.5179.50000112.6E248 L323 L324 V328 F329 R330E248-S326 WeakPolarHBondContact OE1-CA 3.48Å; E248-S326 WeakPolarHBondContact OE1-CB 3.48Å; E248-S326 PolarHBondContact OE1-OG 2.91Å; L323-S326 WeakPolarHBondContact O-CB 3.39Å; L323-S326 PolarHBondContact O-N 3.38Å; L324-S326 PolarHBondContact O-N 3.45Å; S326-V328 PolarHBondContact O-N 2.79Å; S326-V328 PolarHBondContact OG-N 3.19Å; S326-F329 PolarHBondContact O-N 2.98Å; S326-R330 WeakPolarHBondContact O-CB 3.49Å; S326-R330 PolarHBondContact O-N 2.89Å
327Q86.7Confident92.9Very high136 Ų13640.8 Ų40.864%0.63621%0.213SC*.Hα-helixtrans-61-23.8175.262.5-177.4-12.300114
328V86.7Confident92.9Very high24 Ų2440.8 Ų40.815%0.14521%0.213CC..Hα-helixtrans-72.3-42.5-176.7-179.70000111.4E248 L251 L275 S326E248-V328 HydrophobicContact CG-CG2 4.3Å; L251-V328 HydrophobicContact CD2-CB 4.08Å; L251-V328 HydrophobicContact CD2-CG1 3.52Å; L251-V328 HydrophobicContact CD2-CG2 3.35Å; L275-V328 HydrophobicContact CD1-CG1 4.14Å; L275-V328 HydrophobicContact CD2-CG1 4.1Å; S326-V328 PolarHBondContact O-N 2.79Å; S326-V328 PolarHBondContact OG-N 3.19Å
329F92.2Very high92.8Very high1 Ų139.7 Ų39.70%0.00421%0.205CC..Hα-helixtrans-90.6-33.2-173.4-66.7-75000112.2V244 L247 L275 L278 L323 S326 A331 R332 I333V244-F329 HydrophobicContact CG1-CE2 4.44Å; L247-F329 HydrophobicContact CD1-CE2 4.27Å; L247-F329 HydrophobicContact CD1-CZ 3.78Å; L275-F329 HydrophobicContact CB-CE1 4.31Å; L275-F329 HydrophobicContact CD2-CD1 4.41Å; L275-F329 HydrophobicContact CD2-CE1 3.42Å; L275-F329 VanDerWaalsContact CD2-CE1 3.42Å; L275-F329 HydrophobicContact CD2-CE2 4.03Å; L275-F329 HydrophobicContact CD2-CZ 3.19Å; L275-F329 HydrophobicContact CG-CE1 4.47Å; L278-F329 HydrophobicContact CB-CD1 4.42Å; L278-F329 HydrophobicContact CB-CE1 3.72Å; L278-F329 HydrophobicContact CB-CZ 4.3Å; L278-F329 HydrophobicContact CD1-CE1 4.09Å; L278-F329 HydrophobicContact CD1-CZ 3.82Å; L323-F329 HydrophobicContact CB-CB 4.29Å; L323-F329 HydrophobicContact CB-CG 4.42Å; L323-F329 HydrophobicContact CD2-CD1 4.25Å; L323-F329 HydrophobicContact CD2-CD2 3.81Å; L323-F329 HydrophobicContact CD2-CE1 4.18Å; L323-F329 HydrophobicContact CD2-CE2 3.75Å; L323-F329 HydrophobicContact CD2-CG 4.05Å; L323-F329 HydrophobicContact CD2-CZ 3.92Å; L323-F329 WeakPolarHBondContact O-CB 3.34Å; S326-F329 PolarHBondContact O-N 2.98Å; F329-A331 PolarHBondContact O-N 2.69Å; F329-R332 CarbonylContact O-C 3.47Å; F329-R332 WeakPolarHBondContact O-CA 3.47Å; F329-R332 WeakPolarHBondContact O-CB 3.43Å; F329-R332 PolarHBondContact O-N 3.42Å; F329-I333 HydrophobicContact CB-CD1 3.77Å; F329-I333 HydrophobicContact CB-CG1 4.46Å; F329-I333 WeakPolarHBondContact O-CG1 3.43Å; F329-I333 PolarHBondContact O-N 3.31Å
330R91.3Very high92.7Very high24 Ų2442.8 Ų42.89%0.09122%0.223CC..Hα-helixtrans-51.8-51.3-173.4-168.7-174.2-56.1119.65.9113.6L324 S325 S326 R332 I333 V334 H385 L388L324-R330 HydrophobicContact CD2-CG 4.33Å; L324-R330 VanDerWaalsContact O-CZ 3.23Å; L324-R330 PolarHBondContact O-NE 2.94Å; L324-R330 PolarHBondContact O-NH2 3.15Å; S325-R330 PolarHBondContact O-NH2 3.25Å; S326-R330 WeakPolarHBondContact O-CB 3.49Å; S326-R330 PolarHBondContact O-N 2.89Å; R330-R332 PolarHBondContact O-N 3.26Å; R330-I333 PolarHBondContact O-N 2.84Å; R330-V334 HydrophobicContact CG-CG2 4.08Å; R330-V334 WeakPolarHBondContact O-CB 3.43Å; R330-V334 VanDerWaalsContact O-CG2 3.27Å; R330-V334 WeakPolarHBondContact O-CG2 3.36Å; R330-V334 PolarHBondContact O-N 3.44Å; R330-H385 WeakPolarHBondContact CD-CD2 3.47Å; R330-H385 VanDerWaalsContact CZ-CE1 3.49Å; R330-H385 PolarHBondContact NE-CD2 2.91Å; R330-H385 PolarHBondContact NE-NE2 3.13Å; R330-H385 VanDerWaalsContact NE-NE2 3.13Å; R330-H385 PolarHBondContact NH1-CE1 3.37Å; R330-H385 PolarHBondContact NH1-NE2 3.42Å; R330-H385 PolarHBondContact NH2-NE2 3.31Å; R330-L388 HydrophobicContact CG-CD1 3.6Å
331A86.7Confident92.7Very high71 Ų7144 Ų4459%0.58723%0.229SC*.Hα-helixtrans-66.9-19.6179.800000113.6F329F329-A331 PolarHBondContact O-N 2.69Å
332R90.1Very high92.7Very high128 Ų12842.5 Ų42.548%0.48322%0.221SC..Hα-helixtrans-89.5-28.8177.6-59.9-177.1179.9-165.10.1112.8F329 R330F329-R332 CarbonylContact O-C 3.47Å; F329-R332 WeakPolarHBondContact O-CA 3.47Å; F329-R332 WeakPolarHBondContact O-CB 3.43Å; F329-R332 PolarHBondContact O-N 3.42Å; R330-R332 PolarHBondContact O-N 3.26Å
333I94.2Very high92.7Very high1 Ų139.9 Ų39.91%0.00521%0.209CC..Hα-helixtrans-89.1-40.6-177.7-65169.9000111.2A282 P283 L323 L324 F329 R330 T335 F338A282-I333 HydrophobicContact CB-CD1 3.65Å; A282-I333 HydrophobicContact CB-CG1 4.09Å; A282-I333 HydrophobicContact CB-CG2 4.1Å; P283-I333 HydrophobicContact CG-CG2 4.43Å; L323-I333 HydrophobicContact CB-CD1 3.8Å; L323-I333 HydrophobicContact CD1-CD1 4.43Å; L324-I333 HydrophobicContact CD2-CB 4.09Å; L324-I333 HydrophobicContact CD2-CD1 4.49Å; L324-I333 HydrophobicContact CD2-CG2 3.89Å; F329-I333 HydrophobicContact CB-CD1 3.77Å; F329-I333 HydrophobicContact CB-CG1 4.46Å; F329-I333 WeakPolarHBondContact O-CG1 3.43Å; F329-I333 PolarHBondContact O-N 3.31Å; R330-I333 PolarHBondContact O-N 2.84Å; I333-T335 PolarHBondContact O-N 3.34Å; I333-T335 VanDerWaalsContact O-N 3.07Å; I333-F338 HydrophobicContact CG2-CD2 4.13Å; I333-F338 HydrophobicContact CG2-CE1 4.38Å; I333-F338 HydrophobicContact CG2-CE2 3.96Å; I333-F338 HydrophobicContact CG2-CG 4.41Å; I333-F338 HydrophobicContact CG2-CZ 4.11Å
334V93.4Very high92.7Very high2 Ų243 Ų431%0.01223%0.226CC..  trans-75.3103.7-173.2179.90000110.2L324 R330 F338 L339 L382 L388 Y392L324-V334 HydrophobicContact CD2-CG2 3.72Å; R330-V334 HydrophobicContact CG-CG2 4.08Å; R330-V334 WeakPolarHBondContact O-CB 3.43Å; R330-V334 VanDerWaalsContact O-CG2 3.27Å; R330-V334 WeakPolarHBondContact O-CG2 3.36Å; R330-V334 PolarHBondContact O-N 3.44Å; V334-F338 HydrophobicContact CG2-CD1 4.47Å; V334-L339 HydrophobicContact CG1-CD1 4.38Å; V334-L339 HydrophobicContact CG1-CD2 4.3Å; V334-L339 HydrophobicContact CG1-CG 4.27Å; V334-L382 HydrophobicContact CG1-CD2 4.37Å; V334-L382 HydrophobicContact CG2-CD2 3.52Å; V334-L388 HydrophobicContact CB-CD1 4.28Å; V334-L388 HydrophobicContact CG1-CB 4.49Å; V334-L388 HydrophobicContact CG1-CD1 4.47Å; V334-L388 HydrophobicContact CG2-CD1 4.26Å; V334-Y392 HydrophobicContact CG1-CD2 4.15Å; V334-Y392 HydrophobicContact CG1-CE2 4.16Å; V334-Y392 VanDerWaalsContact O-CE2 3.27Å; V334-Y392 WeakPolarHBondContact O-CE2 3.27Å; V334-Y392 PolarHBondContact O-OH 3.04Å
335T93.1Very high92.8Very high48 Ų4843.1 Ų43.129%0.29423%0.226SC..  trans-117.9172.5170.376.60000110.6I333 E337 F338 L339I333-T335 PolarHBondContact O-N 3.34Å; I333-T335 VanDerWaalsContact O-N 3.07Å; T335-E337 VanDerWaalsContact C-N 3.32Å; T335-E337 WeakPolarHBondContact CB-OE2 3.31Å; T335-E337 PolarHBondContact O-N 3.28Å; T335-E337 PolarHBondContact OG1-N 3.44Å; T335-E337 PolarHBondContact OG1-OE2 3.07Å; T335-F338 PolarHBondContact O-N 2.74Å; T335-F338 PolarHBondContact OG1-N 3Å; T335-L339 PolarHBondContact O-N 2.98Å; T335-L339 VanDerWaalsContact O-N 3.09Å
336Q92.1Very high93Very high108 Ų10840.1 Ų40.151%0.50521%0.205SC..Hα-helixtrans-58.3-43.8173.7175.5166.42.900111.8F338 L339 V340 Y392 A395Q336-F338 VanDerWaalsContact C-N 3.34Å; Q336-F338 PolarHBondContact O-N 3.37Å; Q336-L339 PolarHBondContact O-N 3.4Å; Q336-V340 WeakPolarHBondContact O-CG2 3.24Å; Q336-V340 PolarHBondContact O-N 3.41Å; Q336-V340 VanDerWaalsContact O-N 3.11Å; Q336-Y392 HydrophobicContact CB-CD1 4.22Å; Q336-Y392 HydrophobicContact CB-CE1 4.46Å; Q336-A395 HydrophobicContact CG-CB 3.98Å
337E93.6Very high93.1Very high127 Ų12743.8 Ų43.859%0.59323%0.225SC*.Hα-helixtrans-63.5-41.2178-59.875.2-163.400111.5T335 L339 V340 Q341T335-E337 VanDerWaalsContact C-N 3.32Å; T335-E337 WeakPolarHBondContact CB-OE2 3.31Å; T335-E337 PolarHBondContact O-N 3.28Å; T335-E337 PolarHBondContact OG1-N 3.44Å; T335-E337 PolarHBondContact OG1-OE2 3.07Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.49Å; E337-V340 WeakPolarHBondContact O-CB 3.48Å; E337-V340 PolarHBondContact O-N 3.05Å; E337-Q341 WeakPolarHBondContact O-CG 3.29Å; E337-Q341 PolarHBondContact O-N 3.28Å
338F95.2Very high93.3Very high2 Ų238.7 Ų38.71%0.00920%0.2CC..Hα-helixtrans-61.5-40.8176.9-175.4-98.1000111.7M286 V320 L324 I333 V334 T335 Q336 V340 Q341 I342M286-F338 HydrophobicContact CB-CE2 4.18Å; M286-F338 HydrophobicContact CE-CE2 4.06Å; M286-F338 HydrophobicContact CE-CZ 4.04Å; M286-F338 HydrophobicContact CG-CE2 4.27Å; V320-F338 HydrophobicContact CG1-CE2 4.08Å; V320-F338 HydrophobicContact CG1-CZ 3.73Å; L324-F338 HydrophobicContact CD1-CE1 3.92Å; L324-F338 HydrophobicContact CD1-CZ 3.86Å; L324-F338 HydrophobicContact CD2-CE1 4.36Å; I333-F338 HydrophobicContact CG2-CD2 4.13Å; I333-F338 HydrophobicContact CG2-CE1 4.38Å; I333-F338 HydrophobicContact CG2-CE2 3.96Å; I333-F338 HydrophobicContact CG2-CG 4.41Å; I333-F338 HydrophobicContact CG2-CZ 4.11Å; V334-F338 HydrophobicContact CG2-CD1 4.47Å; T335-F338 PolarHBondContact O-N 2.74Å; T335-F338 PolarHBondContact OG1-N 3Å; Q336-F338 VanDerWaalsContact C-N 3.34Å; Q336-F338 PolarHBondContact O-N 3.37Å; F338-V340 VanDerWaalsContact C-N 3.34Å; F338-V340 PolarHBondContact O-N 3.49Å; F338-Q341 WeakPolarHBondContact O-CB 3.43Å; F338-Q341 PolarHBondContact O-N 3.38Å; F338-I342 HydrophobicContact CD1-CG1 4.26Å; F338-I342 HydrophobicContact CE1-CD1 4.04Å; F338-I342 HydrophobicContact CE1-CG1 3.89Å; F338-I342 HydrophobicContact CZ-CD1 4.02Å; F338-I342 HydrophobicContact CZ-CG1 4.32Å; F338-I342 WeakPolarHBondContact O-CG1 3.27Å; F338-I342 PolarHBondContact O-N 3.44Å
339L94.8Very high93.5Very high6 Ų637.6 Ų37.63%0.03119%0.193CC..Hα-helixtrans-66.7-35.1176.1-68.8171.3000112.6V334 T335 Q336 E337 Q341 I342 G343 L382 Y392 A395 V396 V400V334-L339 HydrophobicContact CG1-CD1 4.38Å; V334-L339 HydrophobicContact CG1-CD2 4.3Å; V334-L339 HydrophobicContact CG1-CG 4.27Å; T335-L339 PolarHBondContact O-N 2.98Å; T335-L339 VanDerWaalsContact O-N 3.09Å; Q336-L339 PolarHBondContact O-N 3.4Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.49Å; L339-Q341 VanDerWaalsContact C-N 3.34Å; L339-I342 PolarHBondContact O-N 3.07Å; L339-G343 PolarHBondContact O-N 3.33Å; L339-L382 HydrophobicContact CD2-CD1 4.02Å; L339-Y392 HydrophobicContact CD1-CD2 4.15Å; L339-Y392 HydrophobicContact CD1-CG 3.94Å; L339-A395 HydrophobicContact CB-CB 4.11Å; L339-A395 HydrophobicContact CD1-CB 4.08Å; L339-V396 HydrophobicContact CD1-CG2 3.97Å; L339-V400 WeakPolarHBondContact O-CG2 3.48Å
340V95.2Very high93.5Very high65 Ų6539.3 Ų39.339%0.39420%0.202SC..Hα-helixtrans-63.1-42.1171.7174.30000110.8Q336 E337 F338 I342 G343 L344 A399Q336-V340 WeakPolarHBondContact O-CG2 3.24Å; Q336-V340 PolarHBondContact O-N 3.41Å; Q336-V340 VanDerWaalsContact O-N 3.11Å; E337-V340 WeakPolarHBondContact O-CB 3.48Å; E337-V340 PolarHBondContact O-N 3.05Å; F338-V340 VanDerWaalsContact C-N 3.34Å; F338-V340 PolarHBondContact O-N 3.49Å; V340-I342 VanDerWaalsContact C-N 3.34Å; V340-I342 PolarHBondContact O-N 3.07Å; V340-G343 PolarHBondContact O-N 3.29Å; V340-G343 VanDerWaalsContact O-N 3.15Å; V340-L344 WeakPolarHBondContact O-CG 3.33Å; V340-L344 PolarHBondContact O-N 3.23Å; V340-A399 HydrophobicContact CB-CB 4.5Å; V340-A399 HydrophobicContact CG2-CB 4.24Å
341Q95.8Very high93.4Very high26 Ų2638.4 Ų38.412%0.12120%0.2CC..Hα-helixtrans-59.9-40.8173.7-74.4177.6-23.200112.3M286 E287 L290 E337 F338 L339 L344 L345M286-Q341 HydrophobicContact CG-CB 3.76Å; M286-Q341 HydrophobicContact CG-CG 4.39Å; E287-Q341 PolarHBondContact OE2-NE2 3.44Å; L290-Q341 HydrophobicContact CD1-CB 3.6Å; L290-Q341 HydrophobicContact CD1-CG 3.72Å; E337-Q341 WeakPolarHBondContact O-CG 3.29Å; E337-Q341 PolarHBondContact O-N 3.28Å; F338-Q341 WeakPolarHBondContact O-CB 3.43Å; F338-Q341 PolarHBondContact O-N 3.38Å; L339-Q341 VanDerWaalsContact C-N 3.34Å; Q341-L344 PolarHBondContact O-N 2.78Å; Q341-L345 PolarHBondContact O-N 3.06Å
342I96.3Very high93.4Very high1 Ų136 Ų361%0.00518%0.177CC..Hα-helixtrans-61.3-43.1172.9-64.6-57.9000111.3M286 F338 L339 V340 L344 L345 L346 I378 V379 L382 V400M286-I342 HydrophobicContact CE-CD1 3.53Å; M286-I342 HydrophobicContact SD-CD1 4.32Å; F338-I342 HydrophobicContact CD1-CG1 4.26Å; F338-I342 HydrophobicContact CE1-CD1 4.04Å; F338-I342 HydrophobicContact CE1-CG1 3.89Å; F338-I342 HydrophobicContact CZ-CD1 4.02Å; F338-I342 HydrophobicContact CZ-CG1 4.32Å; F338-I342 WeakPolarHBondContact O-CG1 3.27Å; F338-I342 PolarHBondContact O-N 3.44Å; L339-I342 PolarHBondContact O-N 3.07Å; V340-I342 VanDerWaalsContact C-N 3.34Å; V340-I342 PolarHBondContact O-N 3.07Å; I342-L344 VanDerWaalsContact C-N 3.32Å; I342-L344 PolarHBondContact O-N 3.01Å; I342-L345 WeakPolarHBondContact O-CB 3.19Å; I342-L345 PolarHBondContact O-N 3.41Å; I342-L346 HydrophobicContact CG2-CD1 4.25Å; I342-L346 HydrophobicContact CG2-CG 4.49Å; I342-L346 WeakPolarHBondContact O-CG 3.39Å; I342-L346 PolarHBondContact O-N 3.11Å; I342-I378 HydrophobicContact CD1-CG2 3.6Å; I342-I378 HydrophobicContact CG1-CG2 4.5Å; I342-V379 HydrophobicContact CG2-CG2 3.83Å; I342-L382 HydrophobicContact CG1-CD1 4.21Å; I342-V400 HydrophobicContact CB-CG2 4.49Å; I342-V400 HydrophobicContact CG2-CG2 4.27Å
343G95.4Very high93Very high2 Ų231.6 Ų31.62%0.02116%0.162CC..Hα-helixtrans-57.5-43.3173.900000112.9L339 V340 L346 N347 A399L339-G343 PolarHBondContact O-N 3.33Å; V340-G343 PolarHBondContact O-N 3.29Å; V340-G343 VanDerWaalsContact O-N 3.15Å; G343-L346 PolarHBondContact O-N 2.93Å; G343-N347 PolarHBondContact O-N 2.94Å; G343-N347 VanDerWaalsContact O-N 3.1Å; G343-N347 PolarHBondContact O-ND2 3.47Å; G343-A399 WeakPolarHBondContact CA-O 3.42Å
344L95.9Very high92.5Very high67 Ų6734.1 Ų34.135%0.35118%0.18SC..Hα-helixtrans-63.5-43.4174.5-66.3175.2000111.9L290 V340 Q341 I342 L346 N347 Y348L290-L344 HydrophobicContact CD1-CB 4.45Å; L290-L344 HydrophobicContact CD2-CB 4.03Å; V340-L344 WeakPolarHBondContact O-CG 3.33Å; V340-L344 PolarHBondContact O-N 3.23Å; Q341-L344 PolarHBondContact O-N 2.78Å; I342-L344 VanDerWaalsContact C-N 3.32Å; I342-L344 PolarHBondContact O-N 3.01Å; L344-L346 VanDerWaalsContact C-N 3.34Å; L344-L346 PolarHBondContact O-N 2.92Å; L344-N347 WeakPolarHBondContact O-CB 3.41Å; L344-N347 PolarHBondContact O-N 2.83Å; L344-Y348 HydrophobicContact CB-CE2 4.43Å; L344-Y348 WeakPolarHBondContact O-CD2 3.22Å; L344-Y348 PolarHBondContact O-N 3.07Å
345L96.4Very high91.8Very high2 Ų239 Ų391%0.0121%0.206CC..Hα-helixtrans-57.3-45.9176.9-177.760.8000111.6M286 V289 L290 L293 L317 Q341 I342 N347 Y348 I349 S375M286-L345 HydrophobicContact CE-CD2 4.25Å; M286-L345 HydrophobicContact SD-CD2 3.95Å; V289-L345 HydrophobicContact CG1-CD1 4.41Å; L290-L345 HydrophobicContact CD2-CB 3.95Å; L290-L345 HydrophobicContact CD2-CD1 4.38Å; L293-L345 HydrophobicContact CD1-CD1 3.85Å; L317-L345 HydrophobicContact CD1-CD2 4.36Å; L317-L345 HydrophobicContact CD2-CD2 4.13Å; Q341-L345 PolarHBondContact O-N 3.06Å; I342-L345 WeakPolarHBondContact O-CB 3.19Å; I342-L345 PolarHBondContact O-N 3.41Å; L345-N347 VanDerWaalsContact C-N 3.34Å; L345-N347 PolarHBondContact O-N 3.3Å; L345-Y348 WeakPolarHBondContact O-CB 3.45Å; L345-Y348 PolarHBondContact O-N 2.93Å; L345-I349 HydrophobicContact CG-CD1 4.48Å; L345-I349 WeakPolarHBondContact O-CG1 3.42Å; L345-I349 PolarHBondContact O-N 3.48Å; L345-I349 VanDerWaalsContact O-N 3.08Å; L345-S375 WeakPolarHBondContact CD2-OG 3.28Å
346L95.8Very high91.1Very high0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-64.8-37.5177.6-65.9171.6000112.3I342 G343 L344 Y348 I349 I350 L376 V379 V400 P403 L404 L407I342-L346 HydrophobicContact CG2-CD1 4.25Å; I342-L346 HydrophobicContact CG2-CG 4.49Å; I342-L346 WeakPolarHBondContact O-CG 3.39Å; I342-L346 PolarHBondContact O-N 3.11Å; G343-L346 PolarHBondContact O-N 2.93Å; L344-L346 VanDerWaalsContact C-N 3.34Å; L344-L346 PolarHBondContact O-N 2.92Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 2.99Å; L346-I349 HydrophobicContact CD2-CD1 4.32Å; L346-I349 WeakPolarHBondContact O-CB 3.39Å; L346-I349 PolarHBondContact O-N 3.27Å; L346-I349 VanDerWaalsContact O-N 3.16Å; L346-I350 WeakPolarHBondContact O-CG1 3.34Å; L346-I350 PolarHBondContact O-N 3.39Å; L346-L376 HydrophobicContact CD2-CD2 4.3Å; L346-V379 HydrophobicContact CD1-CG2 4.05Å; L346-V379 HydrophobicContact CD2-CG2 4.02Å; L346-V379 HydrophobicContact CG-CG2 4.37Å; L346-V400 HydrophobicContact CD1-CG1 4.07Å; L346-P403 HydrophobicContact CB-CB 3.7Å; L346-P403 HydrophobicContact CB-CG 3.8Å; L346-P403 HydrophobicContact CD1-CG 4Å; L346-L404 HydrophobicContact CD1-CD2 3.9Å; L346-L404 HydrophobicContact CD1-CG 3.98Å; L346-L404 HydrophobicContact CD2-CD2 4.35Å; L346-L407 HydrophobicContact CB-CD1 4.44Å; L346-L407 HydrophobicContact CD2-CD1 4Å
347N93.8Very high90.5Very high79 Ų7937.7 Ų37.742%0.42220%0.197SC..Hα-helixtrans-62.7-38173.1-76.7-58000112.3G343 L344 L345 I349 I350 S351G343-N347 PolarHBondContact O-N 2.94Å; G343-N347 VanDerWaalsContact O-N 3.1Å; G343-N347 PolarHBondContact O-ND2 3.47Å; L344-N347 WeakPolarHBondContact O-CB 3.41Å; L344-N347 PolarHBondContact O-N 2.83Å; L345-N347 VanDerWaalsContact C-N 3.34Å; L345-N347 PolarHBondContact O-N 3.3Å; N347-I349 VanDerWaalsContact C-N 3.34Å; N347-I350 PolarHBondContact O-N 2.97Å; N347-S351 PolarHBondContact O-N 3.23Å; N347-S351 VanDerWaalsContact O-N 3.16Å
348Y91.4Very high89.8Confident28 Ų2833.9 Ų33.911%0.1118%0.181CC..Hα-helixtrans-61.9-43.2171.8-71.5-68.4000111.3L290 L293 R294 I297 L344 L345 L346 I350 S351 V352L290-Y348 HydrophobicContact CD2-CD2 3.83Å; L290-Y348 HydrophobicContact CD2-CE2 3.73Å; L293-Y348 HydrophobicContact CB-CD1 4.03Å; L293-Y348 HydrophobicContact CB-CD2 4.18Å; L293-Y348 HydrophobicContact CB-CE1 4.2Å; L293-Y348 HydrophobicContact CB-CE2 4.39Å; L293-Y348 HydrophobicContact CB-CG 4.03Å; L293-Y348 HydrophobicContact CD1-CD2 4.26Å; L293-Y348 HydrophobicContact CD1-CG 4.27Å; R294-Y348 WeakPolarHBondContact CA-OH 3.38Å; R294-Y348 VanDerWaalsContact CB-OH 3.27Å; R294-Y348 WeakPolarHBondContact CB-OH 3.36Å; I297-Y348 HydrophobicContact CB-CD1 4.39Å; I297-Y348 HydrophobicContact CB-CE1 4.01Å; I297-Y348 HydrophobicContact CD1-CD1 3.84Å; I297-Y348 HydrophobicContact CD1-CE1 3.63Å; I297-Y348 HydrophobicContact CG1-CD1 4.12Å; I297-Y348 HydrophobicContact CG1-CE1 4.07Å; L344-Y348 HydrophobicContact CB-CE2 4.43Å; L344-Y348 WeakPolarHBondContact O-CD2 3.22Å; L344-Y348 PolarHBondContact O-N 3.07Å; L345-Y348 WeakPolarHBondContact O-CB 3.45Å; L345-Y348 PolarHBondContact O-N 2.93Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 2.99Å; Y348-I350 VanDerWaalsContact C-N 3.32Å; Y348-I350 PolarHBondContact O-N 2.92Å; Y348-S351 WeakPolarHBondContact O-CA 3.43Å; Y348-S351 WeakPolarHBondContact O-CB 3.39Å; Y348-S351 PolarHBondContact O-N 3.09Å; Y348-V352 WeakPolarHBondContact O-CG2 3.2Å; Y348-V352 PolarHBondContact O-N 3.4Å
349I91.8Very high89.1Confident2 Ų234 Ų341%0.0118%0.182CC..Hα-helixtrans-59.1-42.1177.9-68.3168000111.6L345 L346 N347 S351 V352 E353 I372 L407L345-I349 HydrophobicContact CG-CD1 4.48Å; L345-I349 WeakPolarHBondContact O-CG1 3.42Å; L345-I349 PolarHBondContact O-N 3.48Å; L345-I349 VanDerWaalsContact O-N 3.08Å; L346-I349 HydrophobicContact CD2-CD1 4.32Å; L346-I349 WeakPolarHBondContact O-CB 3.39Å; L346-I349 PolarHBondContact O-N 3.27Å; L346-I349 VanDerWaalsContact O-N 3.16Å; N347-I349 VanDerWaalsContact C-N 3.34Å; I349-S351 VanDerWaalsContact C-N 3.29Å; I349-S351 PolarHBondContact O-N 3.11Å; I349-V352 WeakPolarHBondContact O-CB 3.42Å; I349-V352 PolarHBondContact O-N 3.23Å; I349-V352 VanDerWaalsContact O-N 3.14Å; I349-E353 PolarHBondContact O-N 2.94Å; I349-I372 HydrophobicContact CG1-CG1 4.26Å; I349-I372 HydrophobicContact CG2-CD1 4.39Å; I349-I372 HydrophobicContact CG2-CG1 3.99Å; I349-I372 HydrophobicContact CG2-CG2 4Å; I349-L407 HydrophobicContact CG2-CD1 4.39Å; I349-L407 HydrophobicContact CG2-CD2 4.03Å
350I91.1Very high88.4Confident36 Ų3636.1 Ų36.119%0.18520%0.197CC..Hα-helixtrans-58.2-43173.7-65.9165.4000110.9L346 N347 Y348 V352 E353 S354 P403 T406 L407L346-I350 WeakPolarHBondContact O-CG1 3.34Å; L346-I350 PolarHBondContact O-N 3.39Å; N347-I350 PolarHBondContact O-N 2.97Å; Y348-I350 VanDerWaalsContact C-N 3.32Å; Y348-I350 PolarHBondContact O-N 2.92Å; I350-V352 VanDerWaalsContact C-N 3.33Å; I350-V352 PolarHBondContact O-N 3.47Å; I350-E353 PolarHBondContact O-N 3.29Å; I350-S354 WeakPolarHBondContact O-CB 3.47Å; I350-S354 PolarHBondContact O-N 2.87Å; I350-S354 PolarHBondContact O-OG 3.28Å; I350-P403 HydrophobicContact CD1-CB 3.57Å; I350-T406 HydrophobicContact CD1-CG2 3.97Å; I350-T406 HydrophobicContact CG1-CG2 4.35Å; I350-T406 HydrophobicContact CG2-CG2 4.07Å; I350-L407 HydrophobicContact CB-CD2 4.48Å; I350-L407 HydrophobicContact CD1-CG 4.19Å; I350-L407 HydrophobicContact CG1-CD1 4.23Å; I350-L407 HydrophobicContact CG1-CD2 3.52Å; I350-L407 HydrophobicContact CG1-CG 3.59Å
351S89Confident87.5Confident6 Ų636.1 Ų36.14%0.04220%0.199CC..Hα-helixtrans-66.6-33.3177.3-169.60000112.7N347 Y348 I349 S354 E356 T357N347-S351 PolarHBondContact O-N 3.23Å; N347-S351 VanDerWaalsContact O-N 3.16Å; Y348-S351 WeakPolarHBondContact O-CA 3.43Å; Y348-S351 WeakPolarHBondContact O-CB 3.39Å; Y348-S351 PolarHBondContact O-N 3.09Å; I349-S351 VanDerWaalsContact C-N 3.29Å; I349-S351 PolarHBondContact O-N 3.11Å; S351-S354 WeakPolarHBondContact CA-OG 3.32Å; S351-S354 PolarHBondContact O-OG 3.2Å; S351-E356 PolarHBondContact O-N 2.98Å; S351-E356 WeakPolarHBondContact OG-CB 3.34Å; S351-E356 PolarHBondContact OG-OE2 3.32Å; S351-T357 PolarHBondContact O-N 2.99Å; S351-T357 VanDerWaalsContact O-N 3.11Å; S351-T357 PolarHBondContact OG-OG1 3Å
352V86.4Confident86.6Confident20 Ų2035.4 Ų35.412%0.12120%0.2CC..Hα-helixtrans-67.1-47.2173.7-172.50000110.5Y348 I349 I350 N355 L359Y348-V352 WeakPolarHBondContact O-CG2 3.2Å; Y348-V352 PolarHBondContact O-N 3.4Å; I349-V352 WeakPolarHBondContact O-CB 3.42Å; I349-V352 PolarHBondContact O-N 3.23Å; I349-V352 VanDerWaalsContact O-N 3.14Å; I350-V352 VanDerWaalsContact C-N 3.33Å; I350-V352 PolarHBondContact O-N 3.47Å; V352-N355 PolarHBondContact O-N 3.48Å; V352-L359 HydrophobicContact CB-CD1 4.3Å; V352-L359 HydrophobicContact CG1-CD1 4.11Å; V352-L359 HydrophobicContact CG2-CD1 3.28Å
353E82.7Confident85.9Confident35 Ų3535.7 Ų35.716%0.16420%0.201CC..Hα-helixtrans-67.7-40.3-176.8-168.8-161.4144.800112.7I349 I350 N355 S410 R411 W415I349-E353 PolarHBondContact O-N 2.94Å; I350-E353 PolarHBondContact O-N 3.29Å; E353-N355 PolarHBondContact O-N 3.47Å; E353-S410 WeakPolarHBondContact OE1-CA 3.48Å; E353-S410 WeakPolarHBondContact OE1-CB 3.38Å; E353-S410 PolarHBondContact OE1-OG 3.12Å; E353-S410 VanDerWaalsContact OE2-CB 3.25Å; E353-S410 WeakPolarHBondContact OE2-CB 3.32Å; E353-S410 PolarHBondContact OE2-OG 3.17Å; E353-R411 PolarHBondContact OE1-N 3.25Å; E353-W415 HydrophobicContact CB-CZ3 4.37Å; E353-W415 HydrophobicContact CG-CE3 4.35Å; E353-W415 HydrophobicContact CG-CZ3 3.99Å
354S83.4Confident85.4Confident54 Ų5437 Ų3738%0.37822%0.215SC..THydrogen-bonded Turntrans-68.6-0.5176.755.20000113.7I350 S351 E356I350-S354 WeakPolarHBondContact O-CB 3.47Å; I350-S354 PolarHBondContact O-N 2.87Å; I350-S354 PolarHBondContact O-OG 3.28Å; S351-S354 WeakPolarHBondContact CA-OG 3.32Å; S351-S354 PolarHBondContact O-OG 3.2Å; S354-E356 PolarHBondContact O-N 2.95Å; S354-E356 WeakPolarHBondContact OG-CG 3.46Å
355N79.6Confident84.9Confident106 Ų10637.9 Ų37.957%0.56722%0.222SC*.THydrogen-bonded Turntrans58.919.1-174-81.4-21.9000114.1V352 E353 T357V352-N355 PolarHBondContact O-N 3.48Å; E353-N355 PolarHBondContact O-N 3.47Å; N355-T357 VanDerWaalsContact C-N 3.34Å
356E78.2Confident84.5Confident121 Ų12141.3 Ų41.357%0.56525%0.251SS*.SBendtrans-67.2-40.1169.2-70.9-180170.600110.7S351 S354S351-E356 PolarHBondContact O-N 2.98Å; S351-E356 WeakPolarHBondContact OG-CB 3.34Å; S351-E356 PolarHBondContact OG-OE2 3.32Å; S354-E356 PolarHBondContact O-N 2.95Å; S354-E356 WeakPolarHBondContact OG-CG 3.46Å
357T77.8Confident84.1Confident6 Ų643.7 Ų43.74%0.03726%0.263CS..SBendtrans-116.6107.6177.7-51.80000110.5V296 G298 S351 N355 L359V296-T357 HydrophobicContact CG1-CG2 4.21Å; V296-T357 WeakPolarHBondContact O-CG2 3.44Å; G298-T357 PolarHBondContact N-OG1 3.04Å; S351-T357 PolarHBondContact O-N 2.99Å; S351-T357 VanDerWaalsContact O-N 3.11Å; S351-T357 PolarHBondContact OG-OG1 3Å; N355-T357 VanDerWaalsContact C-N 3.34Å; T357-L359 HydrophobicContact CG2-CD1 4Å; T357-L359 HydrophobicContact CG2-CG 4.22Å; T357-L359 PolarHBondContact O-N 3.32Å
358N79.3Confident83.9Confident48 Ų4840.4 Ų40.426%0.25725%0.247SC..  trans-91.180.1-177-171.4-25.9000111.8R299 S360 S361R299-N358 PolarHBondContact O-N 2.97Å; N358-S360 PolarHBondContact OD1-N 2.7Å; N358-S360 PolarHBondContact OD1-OG 2.76Å; N358-S361 PolarHBondContact O-OG 3.22Å; N358-S361 PolarHBondContact OD1-N 2.83Å; N358-S361 VanDerWaalsContact OD1-N 3.14Å
359L80.2Confident83.8Confident5 Ų543.1 Ų43.13%0.02626%0.26CS..  trans-71.1-28.5176.4-80.5135.7000113.5L293 L310 V352 T357 S361 G362 V363L293-L359 HydrophobicContact CD2-CD1 4.35Å; L293-L359 HydrophobicContact CD2-CD2 4.21Å; L310-L359 HydrophobicContact CD1-CD2 3.71Å; L310-L359 HydrophobicContact CD2-CD2 4.28Å; V352-L359 HydrophobicContact CB-CD1 4.3Å; V352-L359 HydrophobicContact CG1-CD1 4.11Å; V352-L359 HydrophobicContact CG2-CD1 3.28Å; T357-L359 HydrophobicContact CG2-CD1 4Å; T357-L359 HydrophobicContact CG2-CG 4.22Å; T357-L359 PolarHBondContact O-N 3.32Å; L359-S361 PolarHBondContact O-N 2.93Å; L359-G362 PolarHBondContact O-N 3.29Å; L359-G362 VanDerWaalsContact O-N 3.13Å; L359-V363 HydrophobicContact CD2-CG2 4.19Å; L359-V363 PolarHBondContact O-N 3.23Å
360S79.9Confident83.8Confident50 Ų5047.4 Ų47.435%0.3528%0.28SS..Hα-helixtrans-63.1-31.7-175.962.10000112.2N358 G362 G364N358-S360 PolarHBondContact OD1-N 2.7Å; N358-S360 PolarHBondContact OD1-OG 2.76Å; S360-G362 PolarHBondContact O-N 3.4Å; S360-G364 VanDerWaalsContact O-CA 3.29Å; S360-G364 WeakPolarHBondContact O-CA 3.34Å; S360-G364 PolarHBondContact O-N 3.13Å; S360-G364 VanDerWaalsContact O-N 3.09Å
361S77.2Confident83.9Confident64 Ų6446 Ų4645%0.44827%0.273SS..Hα-helixtrans-65.8-31.617671.10000114.5K300 N358 L359K300-S361 PolarHBondContact O-OG 3.29Å; N358-S361 PolarHBondContact O-OG 3.22Å; N358-S361 PolarHBondContact OD1-N 2.83Å; N358-S361 VanDerWaalsContact OD1-N 3.14Å; L359-S361 PolarHBondContact O-N 2.93Å
362G76.2Confident84.1Confident12 Ų1246 Ų4612%0.12427%0.272CS..Hα-helixtrans-99.7-39.3-176.900000114.2K311 L359 S360K311-G362 WeakPolarHBondContact CE-O 3.39Å; K311-G362 PolarHBondContact NZ-O 3.4Å; L359-G362 PolarHBondContact O-N 3.29Å; L359-G362 VanDerWaalsContact O-N 3.13Å; S360-G362 PolarHBondContact O-N 3.4Å
363V81.8Confident84.5Confident7 Ų749.2 Ų49.24%0.04228%0.283CS..Hα-helixtrans-100.7-30.4-172.2-165.90000111.7L310 K311 L314 L359 I367L310-V363 HydrophobicContact CB-CG2 3.66Å; L310-V363 HydrophobicContact CD1-CG2 3.8Å; L310-V363 HydrophobicContact CG-CG2 4.38Å; K311-V363 WeakPolarHBondContact CE-O 3.48Å; K311-V363 HydrophobicContact CG-CB 4.48Å; K311-V363 HydrophobicContact CG-CG1 3.71Å; L314-V363 HydrophobicContact CD1-CG1 4.26Å; L359-V363 HydrophobicContact CD2-CG2 4.19Å; L359-V363 PolarHBondContact O-N 3.23Å; V363-I367 HydrophobicContact CG1-CB 3.67Å; V363-I367 HydrophobicContact CG1-CD1 3.8Å; V363-I367 HydrophobicContact CG1-CG1 4.31Å; V363-I367 HydrophobicContact CG1-CG2 3.45Å; V363-I367 VanDerWaalsContact CG1-CG2 3.45Å
364G84.5Confident85.2Confident29 Ų2947.9 Ų47.930%0.29928%0.277SS..  trans101.6148.7-173.200000112.1S360 A366 I367 C368S360-G364 VanDerWaalsContact O-CA 3.29Å; S360-G364 WeakPolarHBondContact O-CA 3.34Å; S360-G364 PolarHBondContact O-N 3.13Å; S360-G364 VanDerWaalsContact O-N 3.09Å; G364-A366 PolarHBondContact O-N 3.39Å; G364-I367 PolarHBondContact O-N 3.1Å; G364-C368 PolarHBondContact O-N 3.39Å; G364-C368 PolarHBondContact O-SG 2.83Å
365V86.4Confident85.7Confident85 Ų8545.4 Ų45.452%0.51526%0.259SS..Hα-helixtrans-59-44.9-174.7-1790000111.8I367 C368 E369V365-I367 PolarHBondContact O-N 3.47Å; V365-C368 WeakPolarHBondContact O-CB 3.39Å; V365-C368 PolarHBondContact O-N 2.88Å; V365-C368 VanDerWaalsContact O-N 3.1Å; V365-E369 HydrophobicContact CG1-CG 4.24Å; V365-E369 WeakPolarHBondContact CG1-OE1 3.3Å; V365-E369 PolarHBondContact O-N 2.95Å
366A88.3Confident86.5Confident74 Ų7440.6 Ų40.661%0.61223%0.234SC*.Hα-helixtrans-58.8-41.2-17700000113.6G364 E370G364-A366 PolarHBondContact O-N 3.39Å; A366-E370 WeakPolarHBondContact O-CB 3.43Å; A366-E370 PolarHBondContact O-N 2.61Å
367I87.9Confident87.4Confident50 Ų5036.2 Ų36.226%0.25622%0.216SC..Hα-helixtrans-72.2-33.8179.7-62.2174.1000110.7K311 L314 V363 G364 V365 L371K311-I367 HydrophobicContact CG-CD1 4.19Å; L314-I367 HydrophobicContact CB-CG2 4.17Å; L314-I367 HydrophobicContact CD1-CG2 4.11Å; V363-I367 HydrophobicContact CG1-CB 3.67Å; V363-I367 HydrophobicContact CG1-CD1 3.8Å; V363-I367 HydrophobicContact CG1-CG1 4.31Å; V363-I367 HydrophobicContact CG1-CG2 3.45Å; V363-I367 VanDerWaalsContact CG1-CG2 3.45Å; G364-I367 PolarHBondContact O-N 3.1Å; V365-I367 PolarHBondContact O-N 3.47Å; I367-L371 WeakPolarHBondContact O-CB 3.33Å; I367-L371 PolarHBondContact O-N 2.88Å
368C88.1Confident88.2Confident11 Ų1136 Ų367%0.07422%0.215CC..Hα-helixtrans-68.1-44.8176.5-59.90000111.3G364 V365 E370 L371 I372G364-C368 PolarHBondContact O-N 3.39Å; G364-C368 PolarHBondContact O-SG 2.83Å; V365-C368 WeakPolarHBondContact O-CB 3.39Å; V365-C368 PolarHBondContact O-N 2.88Å; V365-C368 VanDerWaalsContact O-N 3.1Å; C368-E370 VanDerWaalsContact C-N 3.33Å; C368-L371 WeakPolarHBondContact O-CB 3.41Å; C368-L371 PolarHBondContact O-N 3.34Å; C368-I372 WeakPolarHBondContact O-CG1 3.15Å; C368-I372 PolarHBondContact O-N 3.48Å; C368-I372 VanDerWaalsContact O-N 3.09Å
369E90.6Very high89Confident85 Ų8533.9 Ų33.940%0.39720%0.204SC..Hα-helixtrans-63.5-40.3175.4-72.1179.5179.500111.8V365 I372 R373V365-E369 HydrophobicContact CG1-CG 4.24Å; V365-E369 WeakPolarHBondContact CG1-OE1 3.3Å; V365-E369 PolarHBondContact O-N 2.95Å; E369-I372 PolarHBondContact O-N 3.18Å; E369-R373 VanDerWaalsContact O-CB 3.31Å; E369-R373 WeakPolarHBondContact O-CB 3.35Å; E369-R373 PolarHBondContact O-N 2.78Å
370E91.9Very high89.6Confident91 Ų9135.3 Ų35.343%0.42521%0.21SC..Hα-helixtrans-65.5-37.9176.3-170.660.9-163.500112.5A366 C368 R373 T374A366-E370 WeakPolarHBondContact O-CB 3.43Å; A366-E370 PolarHBondContact O-N 2.61Å; C368-E370 VanDerWaalsContact C-N 3.33Å; E370-R373 IonicContact OE2-CZ 2.83Å; E370-R373 IonicContact OE2-NH1 3.62Å; E370-R373 PolarHBondContact OE2-NH1 3.39Å; E370-T374 VanDerWaalsContact O-CB 3.22Å; E370-T374 WeakPolarHBondContact O-CB 3.29Å; E370-T374 PolarHBondContact O-N 2.99Å; E370-T374 PolarHBondContact O-OG1 3.38Å
371L93.5Very high90.3Very high8 Ų833.8 Ų33.84%0.04220%0.199CC..Hα-helixtrans-58.5-49.5172.3173.165.9000110.8L293 L314 L317 I367 C368 S375L293-L371 HydrophobicContact CD1-CD2 4.43Å; L293-L371 HydrophobicContact CD2-CD2 4.13Å; L314-L371 HydrophobicContact CD1-CD2 4.17Å; L314-L371 HydrophobicContact CD2-CD1 4.11Å; L314-L371 HydrophobicContact CD2-CD2 4.05Å; L317-L371 HydrophobicContact CD2-CD1 3.62Å; I367-L371 WeakPolarHBondContact O-CB 3.33Å; I367-L371 PolarHBondContact O-N 2.88Å; C368-L371 WeakPolarHBondContact O-CB 3.41Å; C368-L371 PolarHBondContact O-N 3.34Å; L371-S375 VanDerWaalsContact O-CB 3.29Å; L371-S375 WeakPolarHBondContact O-CB 3.45Å; L371-S375 PolarHBondContact O-N 3.04Å; L371-S375 PolarHBondContact O-OG 2.8Å
372I93.3Very high91Very high4 Ų431.5 Ų31.52%0.02118%0.181CC..Hα-helixtrans-64.8-48-178-64.2171.1000110.1I349 C368 E369 T374 S375 L376 W415I349-I372 HydrophobicContact CG1-CG1 4.26Å; I349-I372 HydrophobicContact CG2-CD1 4.39Å; I349-I372 HydrophobicContact CG2-CG1 3.99Å; I349-I372 HydrophobicContact CG2-CG2 4Å; C368-I372 WeakPolarHBondContact O-CG1 3.15Å; C368-I372 PolarHBondContact O-N 3.48Å; C368-I372 VanDerWaalsContact O-N 3.09Å; E369-I372 PolarHBondContact O-N 3.18Å; I372-T374 PolarHBondContact O-N 2.93Å; I372-S375 PolarHBondContact O-N 3.46Å; I372-L376 HydrophobicContact CG2-CD1 3.97Å; I372-L376 HydrophobicContact CG2-CG 4.34Å; I372-L376 WeakPolarHBondContact O-CB 3.34Å; I372-L376 WeakPolarHBondContact O-CG 3.46Å; I372-L376 PolarHBondContact O-N 3.43Å; I372-W415 HydrophobicContact CB-CZ2 4.18Å; I372-W415 HydrophobicContact CD1-CE3 4.41Å; I372-W415 HydrophobicContact CD1-CH2 3.21Å; I372-W415 HydrophobicContact CD1-CZ2 3.65Å; I372-W415 HydrophobicContact CD1-CZ3 3.63Å; I372-W415 HydrophobicContact CG1-CH2 4.43Å; I372-W415 HydrophobicContact CG2-CD2 3.73Å; I372-W415 HydrophobicContact CG2-CE3 4.11Å; I372-W415 HydrophobicContact CG2-CG 4.21Å; I372-W415 HydrophobicContact CG2-CH2 4.29Å; I372-W415 HydrophobicContact CG2-CZ2 3.9Å; I372-W415 HydrophobicContact CG2-CZ3 4.36Å
373R94.7Very high91.7Very high89 Ų8931 Ų3134%0.33618%0.176SC..Hα-helixtrans-56.8-51.9176.6-174.9-177-61.2100.88.7111.7E369 E370 S375 L376 S377E369-R373 VanDerWaalsContact O-CB 3.31Å; E369-R373 WeakPolarHBondContact O-CB 3.35Å; E369-R373 PolarHBondContact O-N 2.78Å; E370-R373 IonicContact OE2-CZ 2.83Å; E370-R373 IonicContact OE2-NH1 3.62Å; E370-R373 PolarHBondContact OE2-NH1 3.39Å; R373-S375 VanDerWaalsContact C-N 3.31Å; R373-S375 PolarHBondContact O-N 3.43Å; R373-L376 PolarHBondContact O-N 2.98Å; R373-S377 WeakPolarHBondContact O-CB 3.44Å; R373-S377 PolarHBondContact O-N 2.96Å; R373-S377 PolarHBondContact O-OG 3.22Å; R373-S377 VanDerWaalsContact O-OG 3.07Å
374T95.7Very high92.1Very high7 Ų735.4 Ų35.44%0.04320%0.196CC..Hα-helixtrans-60.2-42.8179.9-57.50000111.2L317 L321 E370 I372 S377 I378L317-T374 HydrophobicContact CB-CG2 4.29Å; L317-T374 HydrophobicContact CD2-CG2 4.02Å; L317-T374 HydrophobicContact CG-CG2 3.85Å; L321-T374 HydrophobicContact CB-CG2 3.97Å; L321-T374 HydrophobicContact CD2-CG2 3.98Å; E370-T374 VanDerWaalsContact O-CB 3.22Å; E370-T374 WeakPolarHBondContact O-CB 3.29Å; E370-T374 PolarHBondContact O-N 2.99Å; E370-T374 PolarHBondContact O-OG1 3.38Å; I372-T374 PolarHBondContact O-N 2.93Å; T374-S377 PolarHBondContact O-N 3.34Å; T374-I378 HydrophobicContact CG2-CD1 4.31Å; T374-I378 VanDerWaalsContact O-CG1 3.32Å; T374-I378 WeakPolarHBondContact O-CG1 3.35Å; T374-I378 PolarHBondContact O-N 3.24Å
375S95.6Very high92.2Very high1 Ų136.4 Ų36.41%0.00719%0.193CC..Hα-helixtrans-65.7-44179.9-55.70000112L317 L345 L371 I372 R373 I378 V379L317-S375 WeakPolarHBondContact CD2-OG 3.45Å; L345-S375 WeakPolarHBondContact CD2-OG 3.28Å; L371-S375 VanDerWaalsContact O-CB 3.29Å; L371-S375 WeakPolarHBondContact O-CB 3.45Å; L371-S375 PolarHBondContact O-N 3.04Å; L371-S375 PolarHBondContact O-OG 2.8Å; I372-S375 PolarHBondContact O-N 3.46Å; R373-S375 VanDerWaalsContact C-N 3.31Å; R373-S375 PolarHBondContact O-N 3.43Å; S375-I378 WeakPolarHBondContact O-CB 3.37Å; S375-I378 PolarHBondContact O-N 2.88Å; S375-V379 WeakPolarHBondContact O-CG2 3.32Å; S375-V379 PolarHBondContact O-N 3.28Å
376L95.3Very high92.2Very high6 Ų636.7 Ų36.73%0.03119%0.189CC..Hα-helixtrans-64.3-42.7175.4-72.2-177.9000111.2L346 I372 R373 I378 V379 E380 L407 W415 F418 V419L346-L376 HydrophobicContact CD2-CD2 4.3Å; I372-L376 HydrophobicContact CG2-CD1 3.97Å; I372-L376 HydrophobicContact CG2-CG 4.34Å; I372-L376 WeakPolarHBondContact O-CB 3.34Å; I372-L376 WeakPolarHBondContact O-CG 3.46Å; I372-L376 PolarHBondContact O-N 3.43Å; R373-L376 PolarHBondContact O-N 2.98Å; L376-I378 VanDerWaalsContact C-N 3.3Å; L376-I378 PolarHBondContact O-N 3.5Å; L376-V379 PolarHBondContact O-N 3.47Å; L376-V379 VanDerWaalsContact O-N 3.07Å; L376-E380 PolarHBondContact O-N 3.32Å; L376-L407 HydrophobicContact CD2-CD1 4.49Å; L376-W415 HydrophobicContact CD1-CB 4.1Å; L376-W415 HydrophobicContact CD1-CG 4.14Å; L376-F418 VanDerWaalsContact C-CE1 3.45Å; L376-F418 HydrophobicContact CB-CD1 3.75Å; L376-F418 HydrophobicContact CB-CE1 3.52Å; L376-F418 HydrophobicContact CB-CZ 4.1Å; L376-F418 HydrophobicContact CD1-CD1 4.16Å; L376-F418 HydrophobicContact CD2-CD1 4.39Å; L376-F418 HydrophobicContact CG-CD1 4.33Å; L376-F418 HydrophobicContact CG-CE1 4.5Å; L376-F418 WeakPolarHBondContact O-CE1 3.37Å; L376-F418 WeakPolarHBondContact O-CZ 3.31Å; L376-V419 HydrophobicContact CD2-CG2 3.75Å
377S96.4Very high92.1Very high29 Ų2938.6 Ų38.620%0.20319%0.193CC..Hα-helixtrans-60.6-36173.5-63.90000113R373 T374 V379 E380 V381R373-S377 WeakPolarHBondContact O-CB 3.44Å; R373-S377 PolarHBondContact O-N 2.96Å; R373-S377 PolarHBondContact O-OG 3.22Å; R373-S377 VanDerWaalsContact O-OG 3.07Å; T374-S377 PolarHBondContact O-N 3.34Å; S377-V379 VanDerWaalsContact C-N 3.32Å; S377-V379 PolarHBondContact O-N 2.93Å; S377-E380 PolarHBondContact O-N 2.97Å; S377-V381 WeakPolarHBondContact O-CG2 3.23Å; S377-V381 PolarHBondContact O-N 2.97Å
378I95.9Very high92Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-59.9-45.4173-73.7165.9000110M286 L317 V320 L321 L324 I342 T374 S375 L376 V381 L382M286-I378 HydrophobicContact CE-CD1 4.35Å; L317-I378 HydrophobicContact CD1-CD1 3.74Å; L317-I378 HydrophobicContact CD2-CD1 4.33Å; L317-I378 HydrophobicContact CG-CD1 3.87Å; V320-I378 HydrophobicContact CB-CD1 4.3Å; V320-I378 HydrophobicContact CG1-CD1 4.22Å; L321-I378 HydrophobicContact CB-CD1 4.34Å; L321-I378 HydrophobicContact CB-CG1 3.82Å; L321-I378 HydrophobicContact CD1-CG1 3.95Å; L321-I378 HydrophobicContact CG-CG1 4.45Å; L324-I378 HydrophobicContact CD1-CG1 4.41Å; L324-I378 HydrophobicContact CD1-CG2 3.61Å; I342-I378 HydrophobicContact CD1-CG2 3.6Å; I342-I378 HydrophobicContact CG1-CG2 4.5Å; T374-I378 HydrophobicContact CG2-CD1 4.31Å; T374-I378 VanDerWaalsContact O-CG1 3.32Å; T374-I378 WeakPolarHBondContact O-CG1 3.35Å; T374-I378 PolarHBondContact O-N 3.24Å; S375-I378 WeakPolarHBondContact O-CB 3.37Å; S375-I378 PolarHBondContact O-N 2.88Å; L376-I378 VanDerWaalsContact C-N 3.3Å; L376-I378 PolarHBondContact O-N 3.5Å; I378-V381 PolarHBondContact O-N 3.39Å; I378-L382 HydrophobicContact CG2-CD1 4.17Å; I378-L382 VanDerWaalsContact O-CG 3.31Å; I378-L382 WeakPolarHBondContact O-CG 3.2Å; I378-L382 PolarHBondContact O-N 2.64Å
379V94.9Very high91.8Very high4 Ų436.9 Ų36.92%0.02418%0.183CC..Hα-helixtrans-66.3-40.2178.4-1750000111.8I342 L346 S375 L376 S377 V381 L382 S383 V400 L404 V422I342-V379 HydrophobicContact CG2-CG2 3.83Å; L346-V379 HydrophobicContact CD1-CG2 4.05Å; L346-V379 HydrophobicContact CD2-CG2 4.02Å; L346-V379 HydrophobicContact CG-CG2 4.37Å; S375-V379 WeakPolarHBondContact O-CG2 3.32Å; S375-V379 PolarHBondContact O-N 3.28Å; L376-V379 PolarHBondContact O-N 3.47Å; L376-V379 VanDerWaalsContact O-N 3.07Å; S377-V379 VanDerWaalsContact C-N 3.32Å; S377-V379 PolarHBondContact O-N 2.93Å; V379-V381 VanDerWaalsContact C-N 3.34Å; V379-V381 PolarHBondContact O-N 3.34Å; V379-L382 CarbonylContact O-C 3.52Å; V379-L382 WeakPolarHBondContact O-CB 3.19Å; V379-L382 PolarHBondContact O-N 2.94Å; V379-L382 VanDerWaalsContact O-N 3.11Å; V379-S383 PolarHBondContact O-N 3.49Å; V379-V400 HydrophobicContact CG1-CG1 4.38Å; V379-L404 HydrophobicContact CG1-CD1 3.94Å; V379-L404 HydrophobicContact CG1-CD2 4.18Å; V379-V422 HydrophobicContact CG1-CG1 3.72Å
380E94.3Very high91.6Very high36 Ų3636 Ų3617%0.16818%0.184CC..Hα-helixtrans-61.2-42.8175.9174.1176.9-146.100111.9L376 S377 L382 S383 Q384 F418 K421 V422L376-E380 PolarHBondContact O-N 3.32Å; S377-E380 PolarHBondContact O-N 2.97Å; E380-L382 VanDerWaalsContact C-N 3.28Å; E380-L382 PolarHBondContact O-N 3.38Å; E380-S383 WeakPolarHBondContact CA-OG 3.29Å; E380-S383 PolarHBondContact O-N 2.9Å; E380-S383 PolarHBondContact O-OG 3.34Å; E380-Q384 VanDerWaalsContact O-CG 3.3Å; E380-Q384 WeakPolarHBondContact O-CG 3.44Å; E380-Q384 PolarHBondContact O-N 3.18Å; E380-Q384 VanDerWaalsContact O-N 3.15Å; E380-F418 HydrophobicContact CB-CE1 3.92Å; E380-F418 HydrophobicContact CB-CE2 4.39Å; E380-F418 HydrophobicContact CB-CZ 3.43Å; E380-F418 VanDerWaalsContact CB-CZ 3.43Å; E380-F418 HydrophobicContact CG-CZ 4.14Å; E380-F418 WeakPolarHBondContact OE2-CE2 3.22Å; E380-F418 VanDerWaalsContact OE2-CZ 3.23Å; E380-F418 WeakPolarHBondContact OE2-CZ 3.23Å; E380-K421 IonicContact OE1-NZ 3.52Å; E380-K421 PolarHBondContact OE1-NZ 2.95Å; E380-V422 HydrophobicContact CB-CG2 3.93Å
381V93.6Very high91.3Very high18 Ų1837.8 Ų37.811%0.10919%0.192CC..Hα-helixtrans-59.2-44.3173.6171.40000109.8L321 L324 S377 I378 V379 Q384 H385L321-V381 HydrophobicContact CD1-CG2 4.08Å; L324-V381 HydrophobicContact CB-CG1 4.21Å; L324-V381 WeakPolarHBondContact O-CG1 3.42Å; S377-V381 WeakPolarHBondContact O-CG2 3.23Å; S377-V381 PolarHBondContact O-N 2.97Å; I378-V381 PolarHBondContact O-N 3.39Å; V379-V381 VanDerWaalsContact C-N 3.34Å; V379-V381 PolarHBondContact O-N 3.34Å; V381-Q384 PolarHBondContact O-N 3.5Å; V381-H385 PolarHBondContact O-CD2 3.34Å
382L91.9Very high91Very high15 Ų1539.9 Ų39.98%0.07920%0.2CC..Hα-helixtrans-64.5-40.6178.3-66.1171.9000112.7V334 L339 I342 I378 V379 E380 Q384 H385 V389V334-L382 HydrophobicContact CG1-CD2 4.37Å; V334-L382 HydrophobicContact CG2-CD2 3.52Å; L339-L382 HydrophobicContact CD2-CD1 4.02Å; I342-L382 HydrophobicContact CG1-CD1 4.21Å; I378-L382 HydrophobicContact CG2-CD1 4.17Å; I378-L382 VanDerWaalsContact O-CG 3.31Å; I378-L382 WeakPolarHBondContact O-CG 3.2Å; I378-L382 PolarHBondContact O-N 2.64Å; V379-L382 CarbonylContact O-C 3.52Å; V379-L382 WeakPolarHBondContact O-CB 3.19Å; V379-L382 PolarHBondContact O-N 2.94Å; V379-L382 VanDerWaalsContact O-N 3.11Å; E380-L382 VanDerWaalsContact C-N 3.28Å; E380-L382 PolarHBondContact O-N 3.38Å; L382-Q384 VanDerWaalsContact C-N 3.3Å; L382-Q384 PolarHBondContact O-N 3.29Å; L382-H385 PolarHBondContact O-N 2.91Å; L382-V389 WeakPolarHBondContact O-CG2 3.16Å
383S90.7Very high90.6Very high3 Ų340.2 Ų40.22%0.02120%0.202CC..Hα-helixtrans-66.9-31-178.965.40000112.9V379 E380 H385V379-S383 PolarHBondContact O-N 3.49Å; E380-S383 WeakPolarHBondContact CA-OG 3.29Å; E380-S383 PolarHBondContact O-N 2.9Å; E380-S383 PolarHBondContact O-OG 3.34Å; S383-H385 PolarHBondContact O-N 3.48Å
384Q89.8Confident90.2Very high99 Ų9939 Ų3946%0.46321%0.206SC..THydrogen-bonded Turntrans-71.2-7.1176.9-69.6172.210.200113.7E380 V381 L382E380-Q384 VanDerWaalsContact O-CG 3.3Å; E380-Q384 WeakPolarHBondContact O-CG 3.44Å; E380-Q384 PolarHBondContact O-N 3.18Å; E380-Q384 VanDerWaalsContact O-N 3.15Å; V381-Q384 PolarHBondContact O-N 3.5Å; L382-Q384 VanDerWaalsContact C-N 3.3Å; L382-Q384 PolarHBondContact O-N 3.29Å
385H86.8Confident89.9Confident50 Ų5038.9 Ų38.923%0.23121%0.206CC..  trans-113.580.9-178-66.3-52.9000112.3R330 V381 L382 S383 T387 L388 V389R330-H385 WeakPolarHBondContact CD-CD2 3.47Å; R330-H385 VanDerWaalsContact CZ-CE1 3.49Å; R330-H385 PolarHBondContact NE-CD2 2.91Å; R330-H385 PolarHBondContact NE-NE2 3.13Å; R330-H385 VanDerWaalsContact NE-NE2 3.13Å; R330-H385 PolarHBondContact NH1-CE1 3.37Å; R330-H385 PolarHBondContact NH1-NE2 3.42Å; R330-H385 PolarHBondContact NH2-NE2 3.31Å; V381-H385 PolarHBondContact O-CD2 3.34Å; L382-H385 PolarHBondContact O-N 2.91Å; S383-H385 PolarHBondContact O-N 3.48Å; H385-T387 PolarHBondContact O-N 3.01Å; H385-T387 VanDerWaalsContact O-N 3.11Å; H385-L388 HydrophobicContact CB-CD1 4.36Å; H385-L388 PolarHBondContact O-N 3.01Å; H385-L388 VanDerWaalsContact O-N 3.09Å; H385-V389 PolarHBondContact O-N 3.48Å
386H87.5Confident89.6Confident90 Ų9039.1 Ų39.142%0.41721%0.207SC..Hα-helixtrans-56.3-33.7-173-56.5-179.3000113.1L388 V389 T390 V429H386-L388 PolarHBondContact O-N 3.09Å; H386-V389 PolarHBondContact O-N 3.07Å; H386-T390 WeakPolarHBondContact O-CB 3.26Å; H386-T390 PolarHBondContact O-N 3.27Å; H386-T390 PolarHBondContact O-OG1 2.92Å; H386-V429 HydrophobicContact CB-CG1 4.12Å; H386-V429 HydrophobicContact CB-CG2 3.91Å; H386-V429 WeakPolarHBondContact CD2-CG2 3.35Å
387T86.8Confident89.3Confident114 Ų11438.9 Ų38.970%0.69921%0.206SC*.Hα-helixtrans-62.2-41.1179.150.50000113.1H385 Q391H385-T387 PolarHBondContact O-N 3.01Å; H385-T387 VanDerWaalsContact O-N 3.11Å; T387-Q391 VanDerWaalsContact O-CB 3.31Å; T387-Q391 WeakPolarHBondContact O-CB 3.35Å; T387-Q391 PolarHBondContact O-N 3.37Å
388L84.6Confident89Confident18 Ų1841.7 Ų41.79%0.09422%0.219CC..Hα-helixtrans-76-36.4179.4-68169.5000111.6R330 V334 H385 H386 Q391 Y392R330-L388 HydrophobicContact CG-CD1 3.6Å; V334-L388 HydrophobicContact CB-CD1 4.28Å; V334-L388 HydrophobicContact CG1-CB 4.49Å; V334-L388 HydrophobicContact CG1-CD1 4.47Å; V334-L388 HydrophobicContact CG2-CD1 4.26Å; H385-L388 HydrophobicContact CB-CD1 4.36Å; H385-L388 PolarHBondContact O-N 3.01Å; H385-L388 VanDerWaalsContact O-N 3.09Å; H386-L388 PolarHBondContact O-N 3.09Å; L388-Q391 PolarHBondContact O-N 3.21Å; L388-Y392 HydrophobicContact CD2-CE2 4.36Å; L388-Y392 WeakPolarHBondContact O-CD2 3.36Å; L388-Y392 PolarHBondContact O-N 3.39Å
389V84.7Confident88.8Confident7 Ų742.5 Ų42.54%0.04223%0.226CC..Hα-helixtrans-62.3-45174.4176.50000110.4L382 H385 H386 Y392 H393 L426 V429 M430L382-V389 WeakPolarHBondContact O-CG2 3.16Å; H385-V389 PolarHBondContact O-N 3.48Å; H386-V389 PolarHBondContact O-N 3.07Å; V389-Y392 CarbonylContact O-C 3.24Å; V389-H393 VanDerWaalsContact O-CA 3.24Å; V389-H393 WeakPolarHBondContact O-CA 3.3Å; V389-H393 PolarHBondContact O-N 3.18Å; V389-H393 VanDerWaalsContact O-N 3.07Å; V389-L426 HydrophobicContact CG1-CD2 4.09Å; V389-L426 HydrophobicContact CG2-CD2 4.11Å; V389-V429 HydrophobicContact CB-CG1 4.41Å; V389-V429 HydrophobicContact CG1-CG1 4.12Å; V389-M430 HydrophobicContact CG1-CG 4.36Å
390T84.8Confident88.8Confident67 Ų6742.7 Ų42.741%0.41123%0.227SC..Hα-helixtrans-65.7-43.7175.8-62.20000111.8H386 Y392 H393H386-T390 WeakPolarHBondContact O-CB 3.26Å; H386-T390 PolarHBondContact O-N 3.27Å; H386-T390 PolarHBondContact O-OG1 2.92Å; T390-Y392 VanDerWaalsContact C-N 3.34Å; T390-Y392 PolarHBondContact O-N 2.86Å; T390-H393 PolarHBondContact O-N 3.39Å
391Q87Confident88.7Confident128 Ų12841 Ų4160%0.59822%0.219SC*.Hα-helixtrans-61.2-41.1179.8-178.5179.2-1.600112.7T387 L388T387-Q391 VanDerWaalsContact O-CB 3.31Å; T387-Q391 WeakPolarHBondContact O-CB 3.35Å; T387-Q391 PolarHBondContact O-N 3.37Å; L388-Q391 PolarHBondContact O-N 3.21Å
392Y86.3Confident88.7Confident53 Ų5342.2 Ų42.221%0.20823%0.227CC..THydrogen-bonded Turntrans-109.434.8-178.2-59.6-69.3000112.7V334 Q336 L339 L388 V389 T390 C394 A395 V396V334-Y392 HydrophobicContact CG1-CD2 4.15Å; V334-Y392 HydrophobicContact CG1-CE2 4.16Å; V334-Y392 VanDerWaalsContact O-CE2 3.27Å; V334-Y392 WeakPolarHBondContact O-CE2 3.27Å; V334-Y392 PolarHBondContact O-OH 3.04Å; Q336-Y392 HydrophobicContact CB-CD1 4.22Å; Q336-Y392 HydrophobicContact CB-CE1 4.46Å; L339-Y392 HydrophobicContact CD1-CD2 4.15Å; L339-Y392 HydrophobicContact CD1-CG 3.94Å; L388-Y392 HydrophobicContact CD2-CE2 4.36Å; L388-Y392 WeakPolarHBondContact O-CD2 3.36Å; L388-Y392 PolarHBondContact O-N 3.39Å; V389-Y392 CarbonylContact O-C 3.24Å; T390-Y392 VanDerWaalsContact C-N 3.34Å; T390-Y392 PolarHBondContact O-N 2.86Å; Y392-C394 PolarHBondContact O-N 2.91Å; Y392-A395 PolarHBondContact O-N 2.86Å; Y392-V396 PolarHBondContact O-N 3.32Å
393H85.3Confident88.8Confident11 Ų1141.6 Ų41.65%0.05122%0.224CC..Hα-helixtrans-47.6-52.3-173-179.8-109.1000112.9V389 T390 A395 V396 V397 S468V389-H393 VanDerWaalsContact O-CA 3.24Å; V389-H393 WeakPolarHBondContact O-CA 3.3Å; V389-H393 PolarHBondContact O-N 3.18Å; V389-H393 VanDerWaalsContact O-N 3.07Å; T390-H393 PolarHBondContact O-N 3.39Å; H393-A395 VanDerWaalsContact C-N 3.32Å; H393-A395 PolarHBondContact O-N 3.4Å; H393-V396 PolarHBondContact O-N 2.98Å; H393-V396 VanDerWaalsContact O-N 3.13Å; H393-V397 WeakPolarHBondContact O-CG2 3.31Å; H393-V397 PolarHBondContact O-N 2.76Å; H393-S468 PolarHBondContact CE1-OG 3.35Å; H393-S468 VanDerWaalsContact CE1-OG 3.31Å; H393-S468 PolarHBondContact ND1-OG 3.3Å
394C86.2Confident89Confident62 Ų6241.5 Ų41.542%0.41922%0.223SC..Hα-helixtrans-57.5-41.9-178.8-61.70000113Y392 V396 V397 D398Y392-C394 PolarHBondContact O-N 2.91Å; C394-V396 VanDerWaalsContact C-N 3.35Å; C394-V396 PolarHBondContact O-N 3.15Å; C394-V397 PolarHBondContact O-N 3.06Å; C394-D398 VanDerWaalsContact O-CB 3.31Å; C394-D398 WeakPolarHBondContact O-CB 3.37Å; C394-D398 PolarHBondContact O-N 3.13Å
395A88.9Confident89.2Confident5 Ų536.9 Ų36.94%0.04120%0.202CC..Hα-helixtrans-66.4-37.818000000112.1Q336 L339 Y392 H393 A399Q336-A395 HydrophobicContact CG-CB 3.98Å; L339-A395 HydrophobicContact CB-CB 4.11Å; L339-A395 HydrophobicContact CD1-CB 4.08Å; Y392-A395 PolarHBondContact O-N 2.86Å; H393-A395 VanDerWaalsContact C-N 3.32Å; H393-A395 PolarHBondContact O-N 3.4Å; A395-A399 WeakPolarHBondContact O-CB 3.37Å; A395-A399 PolarHBondContact O-N 2.68Å
396V90.1Very high89.5Confident7 Ų737.8 Ų37.84%0.04221%0.211CC..Iπ-helixtrans-65.8-45.4175179.30000110.4L339 Y392 H393 C394 V400 L401 M430L339-V396 HydrophobicContact CD1-CG2 3.97Å; Y392-V396 PolarHBondContact O-N 3.32Å; H393-V396 PolarHBondContact O-N 2.98Å; H393-V396 VanDerWaalsContact O-N 3.13Å; C394-V396 VanDerWaalsContact C-N 3.35Å; C394-V396 PolarHBondContact O-N 3.15Å; V396-V400 HydrophobicContact CG1-CB 4.34Å; V396-V400 WeakPolarHBondContact O-CB 3.46Å; V396-V400 PolarHBondContact O-N 3.35Å; V396-V400 VanDerWaalsContact O-N 3.1Å; V396-L401 PolarHBondContact O-N 3.33Å; V396-M430 HydrophobicContact CG1-SD 4.25Å
397V89.3Confident89.8Confident1 Ų133.7 Ų33.71%0.00619%0.192CC..Iπ-helixtrans-62.6-43.2178.8179.30000112.1H393 C394 P402 M430 Q471 V472H393-V397 WeakPolarHBondContact O-CG2 3.31Å; H393-V397 PolarHBondContact O-N 2.76Å; C394-V397 PolarHBondContact O-N 3.06Å; V397-P402 VanDerWaalsContact O-CD 3.3Å; V397-P402 WeakPolarHBondContact O-CD 3.44Å; V397-M430 HydrophobicContact CB-CE 4.37Å; V397-M430 HydrophobicContact CG2-CE 3.31Å; V397-Q471 HydrophobicContact CG1-CB 4.2Å; V397-Q471 HydrophobicContact CG1-CG 3.98Å; V397-V472 HydrophobicContact CB-CG2 4.28Å; V397-V472 HydrophobicContact CG1-CG2 3.78Å; V397-V472 HydrophobicContact CG2-CG2 3.43Å; V397-V472 VanDerWaalsContact CG2-CG2 3.43Å
398D89.6Confident90.1Very high87 Ų8728.3 Ų28.347%0.46516%0.159SC..Iπ-helixtrans-82.1-42.9-172.2-69.3-22.1000112.6C394 Q471C394-D398 VanDerWaalsContact O-CB 3.31Å; C394-D398 WeakPolarHBondContact O-CB 3.37Å; C394-D398 PolarHBondContact O-N 3.13Å; D398-Q471 VanDerWaalsContact OD1-CD 3.29Å; D398-Q471 PolarHBondContact OD1-NE2 3.39Å; D398-Q471 PolarHBondContact OD1-OE1 3.05Å
399A92.2Very high90.5Very high18 Ų1829 Ų2915%0.14916%0.161CC..Iπ-helixtrans-103.8-37.6-17000000113.7V340 G343 A395 P403V340-A399 HydrophobicContact CB-CB 4.5Å; V340-A399 HydrophobicContact CG2-CB 4.24Å; G343-A399 WeakPolarHBondContact CA-O 3.42Å; A395-A399 WeakPolarHBondContact O-CB 3.37Å; A395-A399 PolarHBondContact O-N 2.68Å; A399-P403 VanDerWaalsContact O-CD 3.28Å; A399-P403 WeakPolarHBondContact O-CD 3.49Å; A399-P403 WeakPolarHBondContact O-CG 3.17Å
400V94.2Very high90.7Very high7 Ų729.2 Ų29.24%0.04216%0.163CC..Iπ-helixtrans-97.3-42.9-169.7-178.40000112.1L339 I342 L346 V379 V396 P403 L404L339-V400 WeakPolarHBondContact O-CG2 3.48Å; I342-V400 HydrophobicContact CB-CG2 4.49Å; I342-V400 HydrophobicContact CG2-CG2 4.27Å; L346-V400 HydrophobicContact CD1-CG1 4.07Å; V379-V400 HydrophobicContact CG1-CG1 4.38Å; V396-V400 HydrophobicContact CG1-CB 4.34Å; V396-V400 WeakPolarHBondContact O-CB 3.46Å; V396-V400 PolarHBondContact O-N 3.35Å; V396-V400 VanDerWaalsContact O-N 3.1Å; V400-P403 VanDerWaalsContact O-CD 3.22Å; V400-P403 WeakPolarHBondContact O-CD 3.27Å; V400-P403 VanDerWaalsContact O-CG 3.29Å; V400-P403 WeakPolarHBondContact O-CG 3.33Å; V400-L404 HydrophobicContact CG1-CD1 3.81Å; V400-L404 HydrophobicContact CG1-CG 4.35Å; V400-L404 WeakPolarHBondContact O-CG 3.29Å; V400-L404 PolarHBondContact O-N 3.05Å
401L93.1Very high90.9Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-62.7-47.2-175.9-171.265.6000113.1V396 L404 T405 L423 M430 V472 V475 F476V396-L401 PolarHBondContact O-N 3.33Å; L401-L404 PolarHBondContact O-N 3.5Å; L401-T405 HydrophobicContact CD1-CG2 4.45Å; L401-T405 HydrophobicContact CG-CG2 4.37Å; L401-T405 WeakPolarHBondContact O-CG2 3.41Å; L401-T405 PolarHBondContact O-N 2.89Å; L401-L423 HydrophobicContact CD1-CD2 3.66Å; L401-M430 HydrophobicContact CD2-CE 4.06Å; L401-V472 HydrophobicContact CD2-CG1 4.42Å; L401-V475 HydrophobicContact CD2-CB 4.32Å; L401-V475 HydrophobicContact CD2-CG1 4.07Å; L401-V475 HydrophobicContact CG-CG1 4.11Å; L401-F476 HydrophobicContact CD1-CE1 3.8Å; L401-F476 HydrophobicContact CD1-CZ 4.18Å; L401-F476 HydrophobicContact CD2-CE1 4.06Å; L401-F476 HydrophobicContact CD2-CZ 4.23Å; L401-F476 HydrophobicContact CG-CE1 4.32Å
402P93.4Very high91Very high45 Ų4532.4 Ų32.429%0.29217%0.166SC..Hα-helixtrans-58.4-48.6-177.7-23.835.3000114.4V397 L404 T405 T406V397-P402 VanDerWaalsContact O-CD 3.3Å; V397-P402 WeakPolarHBondContact O-CD 3.44Å; P402-L404 VanDerWaalsContact C-N 3.34Å; P402-L404 PolarHBondContact O-N 3.28Å; P402-T405 PolarHBondContact O-N 3.17Å; P402-T405 PolarHBondContact O-OG1 3.03Å; P402-T406 PolarHBondContact O-N 3.24Å; P402-T406 PolarHBondContact O-OG1 3.3Å
403P94.2Very high91.3Very high2 Ų233 Ų331%0.01318%0.175CC..Hα-helixtrans-66.8-34.1177.925.9-33.9000112.5L346 I350 A399 V400 T405 T406 L407L346-P403 HydrophobicContact CB-CB 3.7Å; L346-P403 HydrophobicContact CB-CG 3.8Å; L346-P403 HydrophobicContact CD1-CG 4Å; I350-P403 HydrophobicContact CD1-CB 3.57Å; A399-P403 VanDerWaalsContact O-CD 3.28Å; A399-P403 WeakPolarHBondContact O-CD 3.49Å; A399-P403 WeakPolarHBondContact O-CG 3.17Å; V400-P403 VanDerWaalsContact O-CD 3.22Å; V400-P403 WeakPolarHBondContact O-CD 3.27Å; V400-P403 VanDerWaalsContact O-CG 3.29Å; V400-P403 WeakPolarHBondContact O-CG 3.33Å; P403-T405 VanDerWaalsContact C-N 3.35Å; P403-T405 PolarHBondContact O-N 2.95Å; P403-T406 WeakPolarHBondContact O-CB 3.44Å; P403-T406 PolarHBondContact O-N 3.13Å; P403-T406 VanDerWaalsContact O-N 3.12Å; P403-L407 WeakPolarHBondContact O-CG 3.41Å; P403-L407 PolarHBondContact O-N 3.44Å
404L94.9Very high91.6Very high1 Ų138 Ų381%0.00520%0.198CC..Hα-helixtrans-61-42.9172.6-69.1176.2000112L346 V379 V400 L401 P402 T406 L407 A408 V419 V422 L423 L426L346-L404 HydrophobicContact CD1-CD2 3.9Å; L346-L404 HydrophobicContact CD1-CG 3.98Å; L346-L404 HydrophobicContact CD2-CD2 4.35Å; V379-L404 HydrophobicContact CG1-CD1 3.94Å; V379-L404 HydrophobicContact CG1-CD2 4.18Å; V400-L404 HydrophobicContact CG1-CD1 3.81Å; V400-L404 HydrophobicContact CG1-CG 4.35Å; V400-L404 WeakPolarHBondContact O-CG 3.29Å; V400-L404 PolarHBondContact O-N 3.05Å; L401-L404 PolarHBondContact O-N 3.5Å; P402-L404 VanDerWaalsContact C-N 3.34Å; P402-L404 PolarHBondContact O-N 3.28Å; L404-T406 PolarHBondContact O-N 2.88Å; L404-L407 PolarHBondContact O-N 2.96Å; L404-A408 PolarHBondContact O-N 3.37Å; L404-V419 HydrophobicContact CB-CG1 4.25Å; L404-V419 HydrophobicContact CD2-CG1 4.22Å; L404-V419 HydrophobicContact CD2-CG2 4.44Å; L404-V419 WeakPolarHBondContact O-CG1 3.39Å; L404-V422 HydrophobicContact CD1-CG1 4.22Å; L404-L423 HydrophobicContact CB-CD2 3.8Å; L404-L423 HydrophobicContact CB-CG 4.27Å; L404-L423 HydrophobicContact CD1-CD2 4.31Å; L404-L426 HydrophobicContact CD1-CD1 3.73Å
405T93.5Very high91.8Very high2 Ų236.5 Ų36.51%0.01218%0.184CC..Hα-helixtrans-62.6-27.1176.664.80000113.2L401 P402 P403 F409 L423 V475 S479 L480L401-T405 HydrophobicContact CD1-CG2 4.45Å; L401-T405 HydrophobicContact CG-CG2 4.37Å; L401-T405 WeakPolarHBondContact O-CG2 3.41Å; L401-T405 PolarHBondContact O-N 2.89Å; P402-T405 PolarHBondContact O-N 3.17Å; P402-T405 PolarHBondContact O-OG1 3.03Å; P403-T405 VanDerWaalsContact C-N 3.35Å; P403-T405 PolarHBondContact O-N 2.95Å; T405-F409 WeakPolarHBondContact O-CD2 3.41Å; T405-L423 HydrophobicContact CG2-CD2 4.45Å; T405-V475 HydrophobicContact CG2-CG1 3.98Å; T405-S479 WeakPolarHBondContact CB-OG 3.23Å; T405-S479 WeakPolarHBondContact OG1-CB 3.27Å; T405-S479 PolarHBondContact OG1-OG 2.88Å; T405-L480 HydrophobicContact CG2-CD1 3.8Å; T405-L480 HydrophobicContact CG2-CD2 3.96Å; T405-L480 HydrophobicContact CG2-CG 3.59Å
406T92.7Very high92.1Very high68 Ų6836.3 Ų36.342%0.41718%0.182SC..Hα-helixtrans-76.6-45174.7-55.90000111.1I350 P402 P403 L404 A408 F409I350-T406 HydrophobicContact CD1-CG2 3.97Å; I350-T406 HydrophobicContact CG1-CG2 4.35Å; I350-T406 HydrophobicContact CG2-CG2 4.07Å; P402-T406 PolarHBondContact O-N 3.24Å; P402-T406 PolarHBondContact O-OG1 3.3Å; P403-T406 WeakPolarHBondContact O-CB 3.44Å; P403-T406 PolarHBondContact O-N 3.13Å; P403-T406 VanDerWaalsContact O-N 3.12Å; L404-T406 PolarHBondContact O-N 2.88Å; T406-A408 PolarHBondContact O-N 2.8Å; T406-F409 PolarHBondContact O-N 3.29Å; T406-F409 VanDerWaalsContact O-N 3.16Å
407L93.1Very high92.3Very high5 Ų537.1 Ų37.13%0.02619%0.187CC..Hα-helixtrans-66.8-21.3178-70.2170.1000113.4L346 I349 I350 L376 P403 L404 F409 S410 V419L346-L407 HydrophobicContact CB-CD1 4.44Å; L346-L407 HydrophobicContact CD2-CD1 4Å; I349-L407 HydrophobicContact CG2-CD1 4.39Å; I349-L407 HydrophobicContact CG2-CD2 4.03Å; I350-L407 HydrophobicContact CB-CD2 4.48Å; I350-L407 HydrophobicContact CD1-CG 4.19Å; I350-L407 HydrophobicContact CG1-CD1 4.23Å; I350-L407 HydrophobicContact CG1-CD2 3.52Å; I350-L407 HydrophobicContact CG1-CG 3.59Å; L376-L407 HydrophobicContact CD2-CD1 4.49Å; P403-L407 WeakPolarHBondContact O-CG 3.41Å; P403-L407 PolarHBondContact O-N 3.44Å; L404-L407 PolarHBondContact O-N 2.96Å; L407-F409 PolarHBondContact O-N 2.93Å; L407-F409 VanDerWaalsContact O-N 3.16Å; L407-S410 WeakPolarHBondContact O-CB 3.43Å; L407-S410 PolarHBondContact O-N 3.2Å; L407-V419 HydrophobicContact CB-CG1 4.21Å; L407-V419 HydrophobicContact CB-CG2 3.95Å
408A93.2Very high92.5Very high0 Ų039.2 Ų39.20%020%0.196CC..THydrogen-bonded Turntrans-55.8-30.4171.500000112.2L404 T406 S410 S416 V419 L420 L423 L480 L487L404-A408 PolarHBondContact O-N 3.37Å; T406-A408 PolarHBondContact O-N 2.8Å; A408-S410 VanDerWaalsContact C-N 3.33Å; A408-S416 WeakPolarHBondContact O-CB 3.48Å; A408-S416 PolarHBondContact O-OG 3.14Å; A408-V419 HydrophobicContact CB-CG1 4.15Å; A408-L420 HydrophobicContact CB-CD2 4.05Å; A408-L423 HydrophobicContact CB-CD1 3.94Å; A408-L480 HydrophobicContact CB-CD2 4.06Å; A408-L487 WeakPolarHBondContact O-CD2 3.48Å
409F92.9Very high92.8Very high32 Ų3235 Ų3514%0.1417%0.174CC..THydrogen-bonded Turntrans-96.726176.8-58.8-85.2000113.2T405 T406 L407 L480 R483 L487T405-F409 WeakPolarHBondContact O-CD2 3.41Å; T406-F409 PolarHBondContact O-N 3.29Å; T406-F409 VanDerWaalsContact O-N 3.16Å; L407-F409 PolarHBondContact O-N 2.93Å; L407-F409 VanDerWaalsContact O-N 3.16Å; F409-L480 HydrophobicContact CE2-CD2 3.92Å; F409-L480 HydrophobicContact CZ-CD2 4.48Å; F409-R483 HydrophobicContact CE1-CB 3.73Å; F409-R483 VanDerWaalsContact CE1-O 3.3Å; F409-R483 WeakPolarHBondContact CE1-O 3.45Å; F409-R483 HydrophobicContact CE2-CB 4.39Å; F409-R483 HydrophobicContact CZ-CB 3.64Å; F409-L487 HydrophobicContact CD1-CD1 4.17Å; F409-L487 HydrophobicContact CD1-CD2 3.71Å; F409-L487 HydrophobicContact CD1-CG 3.78Å; F409-L487 HydrophobicContact CE1-CD1 3.63Å; F409-L487 HydrophobicContact CE1-CD2 3.96Å; F409-L487 HydrophobicContact CE1-CG 3.47Å; F409-L487 VanDerWaalsContact CE1-CG 3.47Å; F409-L487 HydrophobicContact CG-CD2 4.42Å; F409-L487 HydrophobicContact CZ-CD1 3.85Å; F409-L487 HydrophobicContact CZ-CG 4.22Å
410S90.7Very high93Very high12 Ų1234.2 Ų34.28%0.08417%0.167CC..  trans-56.9144.9176.6-179.10000111.8E353 L407 A408 N412E353-S410 WeakPolarHBondContact OE1-CA 3.48Å; E353-S410 WeakPolarHBondContact OE1-CB 3.38Å; E353-S410 PolarHBondContact OE1-OG 3.12Å; E353-S410 VanDerWaalsContact OE2-CB 3.25Å; E353-S410 WeakPolarHBondContact OE2-CB 3.32Å; E353-S410 PolarHBondContact OE2-OG 3.17Å; L407-S410 WeakPolarHBondContact O-CB 3.43Å; L407-S410 PolarHBondContact O-N 3.2Å; A408-S410 VanDerWaalsContact C-N 3.33Å; S410-N412 PolarHBondContact O-N 3.4Å; S410-N412 PolarHBondContact OG-N 3.16Å; S410-N412 VanDerWaalsContact OG-N 3.11Å
411R88.1Confident93Very high211 Ų21137.9 Ų37.980%0.79618%0.182SC*.SBendtrans-67.9-24.6169.4-65.7-178.3180173.51.9111.7E353E353-R411 PolarHBondContact OE1-N 3.25Å
412N89.8Confident93.1Very high51 Ų5138 Ų3827%0.27318%0.183SC..SBendtrans-84.2114.8176.2-169.9-29.7000109.6S410 E414 W415 S416S410-N412 PolarHBondContact O-N 3.4Å; S410-N412 PolarHBondContact OG-N 3.16Å; S410-N412 VanDerWaalsContact OG-N 3.11Å; N412-E414 VanDerWaalsContact C-N 3.28Å; N412-E414 PolarHBondContact O-N 3.34Å; N412-E414 WeakPolarHBondContact OD1-CB 3.48Å; N412-E414 PolarHBondContact OD1-N 3.27Å; N412-W415 HydrophobicContact CB-CB 4.21Å; N412-W415 HydrophobicContact CB-CD2 3.61Å; N412-W415 HydrophobicContact CB-CE3 3.52Å; N412-W415 HydrophobicContact CB-CG 3.95Å; N412-W415 HydrophobicContact CB-CZ3 4.04Å; N412-W415 WeakPolarHBondContact ND2-CZ2 3.4Å; N412-W415 PolarHBondContact O-N 2.95Å; N412-S416 PolarHBondContact O-N 3.3Å
413V91.5Very high93.1Very high65 Ų6535.9 Ų35.939%0.39417%0.169SC..Hα-helixtrans-57.1-40.7-179.6179.50000111.7W415 V417 I494V413-W415 PolarHBondContact O-N 2.95Å; V413-V417 HydrophobicContact CG1-CG2 4.3Å; V413-V417 WeakPolarHBondContact O-CB 3.41Å; V413-V417 WeakPolarHBondContact O-CG2 3.37Å; V413-V417 PolarHBondContact O-N 3.26Å; V413-I494 HydrophobicContact CB-CD1 4.45Å; V413-I494 HydrophobicContact CG1-CD1 4.11Å; V413-I494 HydrophobicContact CG1-CG1 4.03Å; V413-I494 HydrophobicContact CG2-CD1 4.21Å
414E91.9Very high93Very high117 Ų11736.3 Ų36.355%0.54717%0.173SC..Hα-helixtrans-62.2-45.2-179.7-173.7-174.2168.600111.2N412 F418N412-E414 VanDerWaalsContact C-N 3.28Å; N412-E414 PolarHBondContact O-N 3.34Å; N412-E414 WeakPolarHBondContact OD1-CB 3.48Å; N412-E414 PolarHBondContact OD1-N 3.27Å; E414-F418 WeakPolarHBondContact O-CB 3.25Å; E414-F418 PolarHBondContact O-N 3.25Å
415W91.4Very high92.8Very high31 Ų3139.7 Ų39.712%0.11719%0.188CC..Hα-helixtrans-73.2-41.1-177.7-56.2-15.7000111.7E353 I372 L376 N412 V413 V417 F418 V419E353-W415 HydrophobicContact CB-CZ3 4.37Å; E353-W415 HydrophobicContact CG-CE3 4.35Å; E353-W415 HydrophobicContact CG-CZ3 3.99Å; I372-W415 HydrophobicContact CB-CZ2 4.18Å; I372-W415 HydrophobicContact CD1-CE3 4.41Å; I372-W415 HydrophobicContact CD1-CH2 3.21Å; I372-W415 HydrophobicContact CD1-CZ2 3.65Å; I372-W415 HydrophobicContact CD1-CZ3 3.63Å; I372-W415 HydrophobicContact CG1-CH2 4.43Å; I372-W415 HydrophobicContact CG2-CD2 3.73Å; I372-W415 HydrophobicContact CG2-CE3 4.11Å; I372-W415 HydrophobicContact CG2-CG 4.21Å; I372-W415 HydrophobicContact CG2-CH2 4.29Å; I372-W415 HydrophobicContact CG2-CZ2 3.9Å; I372-W415 HydrophobicContact CG2-CZ3 4.36Å; L376-W415 HydrophobicContact CD1-CB 4.1Å; L376-W415 HydrophobicContact CD1-CG 4.14Å; N412-W415 HydrophobicContact CB-CB 4.21Å; N412-W415 HydrophobicContact CB-CD2 3.61Å; N412-W415 HydrophobicContact CB-CE3 3.52Å; N412-W415 HydrophobicContact CB-CG 3.95Å; N412-W415 HydrophobicContact CB-CZ3 4.04Å; N412-W415 WeakPolarHBondContact ND2-CZ2 3.4Å; N412-W415 PolarHBondContact O-N 2.95Å; V413-W415 PolarHBondContact O-N 2.95Å; W415-V417 PolarHBondContact O-N 2.84Å; W415-F418 PolarHBondContact O-N 3.49Å; W415-V419 WeakPolarHBondContact O-CB 3.44Å; W415-V419 VanDerWaalsContact O-CG2 3.25Å; W415-V419 WeakPolarHBondContact O-CG2 3.43Å; W415-V419 PolarHBondContact O-N 3.31Å
416S93.8Very high92.6Very high1 Ų139.8 Ų39.81%0.00719%0.189CC..Hα-helixtrans-57.1-50.5174173.60000110.8A408 N412 F418 V419 L420A408-S416 WeakPolarHBondContact O-CB 3.48Å; A408-S416 PolarHBondContact O-OG 3.14Å; N412-S416 PolarHBondContact O-N 3.3Å; S416-F418 PolarHBondContact O-N 3.48Å; S416-V419 PolarHBondContact O-N 3.13Å; S416-L420 WeakPolarHBondContact O-CB 3.45Å; S416-L420 VanDerWaalsContact O-CG 3.25Å; S416-L420 WeakPolarHBondContact O-CG 3.46Å; S416-L420 PolarHBondContact O-N 2.98Å
417V94.6Very high92.4Very high23 Ų2336.6 Ų36.614%0.13917%0.169CC..Hα-helixtrans-59.3-46178165.70000111.8V413 W415 V419 L420 K421 P493 I494 F497V413-V417 HydrophobicContact CG1-CG2 4.3Å; V413-V417 WeakPolarHBondContact O-CB 3.41Å; V413-V417 WeakPolarHBondContact O-CG2 3.37Å; V413-V417 PolarHBondContact O-N 3.26Å; W415-V417 PolarHBondContact O-N 2.84Å; V417-V419 PolarHBondContact O-N 2.96Å; V417-L420 PolarHBondContact O-N 3.26Å; V417-K421 PolarHBondContact O-N 2.95Å; V417-K421 VanDerWaalsContact O-N 3.07Å; V417-P493 HydrophobicContact CG2-CG 3.84Å; V417-I494 HydrophobicContact CG2-CG1 4.06Å; V417-F497 HydrophobicContact CB-CD2 4.27Å; V417-F497 HydrophobicContact CG1-CD1 4.26Å; V417-F497 HydrophobicContact CG1-CD2 3.47Å; V417-F497 VanDerWaalsContact CG1-CD2 3.47Å; V417-F497 HydrophobicContact CG1-CE1 4.19Å; V417-F497 HydrophobicContact CG1-CE2 3.4Å; V417-F497 VanDerWaalsContact CG1-CE2 3.4Å; V417-F497 HydrophobicContact CG1-CG 3.92Å; V417-F497 HydrophobicContact CG1-CZ 3.78Å; V417-F497 HydrophobicContact CG2-CD2 4.05Å; V417-F497 HydrophobicContact CG2-CE2 4.46Å
418F94.4Very high92Very high45 Ų4538.7 Ų38.720%0.19718%0.18CC..Hα-helixtrans-59.7-47.3178.1-173.5-79.7000111.6L376 E380 E414 W415 S416 K421 V422L376-F418 VanDerWaalsContact C-CE1 3.45Å; L376-F418 HydrophobicContact CB-CD1 3.75Å; L376-F418 HydrophobicContact CB-CE1 3.52Å; L376-F418 HydrophobicContact CB-CZ 4.1Å; L376-F418 HydrophobicContact CD1-CD1 4.16Å; L376-F418 HydrophobicContact CD2-CD1 4.39Å; L376-F418 HydrophobicContact CG-CD1 4.33Å; L376-F418 HydrophobicContact CG-CE1 4.5Å; L376-F418 WeakPolarHBondContact O-CE1 3.37Å; L376-F418 WeakPolarHBondContact O-CZ 3.31Å; E380-F418 HydrophobicContact CB-CE1 3.92Å; E380-F418 HydrophobicContact CB-CE2 4.39Å; E380-F418 HydrophobicContact CB-CZ 3.43Å; E380-F418 VanDerWaalsContact CB-CZ 3.43Å; E380-F418 HydrophobicContact CG-CZ 4.14Å; E380-F418 WeakPolarHBondContact OE2-CE2 3.22Å; E380-F418 VanDerWaalsContact OE2-CZ 3.23Å; E380-F418 WeakPolarHBondContact OE2-CZ 3.23Å; E414-F418 WeakPolarHBondContact O-CB 3.25Å; E414-F418 PolarHBondContact O-N 3.25Å; W415-F418 PolarHBondContact O-N 3.49Å; S416-F418 PolarHBondContact O-N 3.48Å; F418-K421 WeakPolarHBondContact O-CB 3.39Å; F418-K421 PolarHBondContact O-N 2.91Å; F418-V422 HydrophobicContact CD1-CG2 3.99Å; F418-V422 HydrophobicContact CE1-CG2 3.61Å; F418-V422 HydrophobicContact CZ-CG2 4.36Å; F418-V422 WeakPolarHBondContact O-CG2 3.26Å; F418-V422 PolarHBondContact O-N 3.46Å
419V95.6Very high91.6Very high0 Ų039.5 Ų39.50%019%0.185CC..Hα-helixtrans-66.8-38.7-179.51710000111.6L376 L404 L407 A408 W415 S416 V417 K421 V422 L423L376-V419 HydrophobicContact CD2-CG2 3.75Å; L404-V419 HydrophobicContact CB-CG1 4.25Å; L404-V419 HydrophobicContact CD2-CG1 4.22Å; L404-V419 HydrophobicContact CD2-CG2 4.44Å; L404-V419 WeakPolarHBondContact O-CG1 3.39Å; L407-V419 HydrophobicContact CB-CG1 4.21Å; L407-V419 HydrophobicContact CB-CG2 3.95Å; A408-V419 HydrophobicContact CB-CG1 4.15Å; W415-V419 WeakPolarHBondContact O-CB 3.44Å; W415-V419 VanDerWaalsContact O-CG2 3.25Å; W415-V419 WeakPolarHBondContact O-CG2 3.43Å; W415-V419 PolarHBondContact O-N 3.31Å; S416-V419 PolarHBondContact O-N 3.13Å; V417-V419 PolarHBondContact O-N 2.96Å; V419-K421 VanDerWaalsContact C-N 3.32Å; V419-K421 PolarHBondContact O-N 3.24Å; V419-V422 PolarHBondContact O-N 2.85Å; V419-L423 HydrophobicContact CG1-CD1 3.9Å; V419-L423 HydrophobicContact CG1-CG 4.21Å; V419-L423 WeakPolarHBondContact O-CB 3.46Å; V419-L423 WeakPolarHBondContact O-CG 3.43Å; V419-L423 PolarHBondContact O-N 3.08Å
420L95.3Very high91.1Very high0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-61.2-40.4174.5-71.6169.8000111.9A408 S416 V417 L423 S424 L487 I494 F497 A498 L501A408-L420 HydrophobicContact CB-CD2 4.05Å; S416-L420 WeakPolarHBondContact O-CB 3.45Å; S416-L420 VanDerWaalsContact O-CG 3.25Å; S416-L420 WeakPolarHBondContact O-CG 3.46Å; S416-L420 PolarHBondContact O-N 2.98Å; V417-L420 PolarHBondContact O-N 3.26Å; L420-L423 PolarHBondContact O-N 3.37Å; L420-S424 PolarHBondContact O-N 3.41Å; L420-S424 PolarHBondContact O-OG 3.25Å; L420-L487 HydrophobicContact CD2-CD1 4Å; L420-I494 HydrophobicContact CD1-CG2 4.04Å; L420-F497 HydrophobicContact CB-CB 3.87Å; L420-F497 HydrophobicContact CD1-CB 4.1Å; L420-A498 HydrophobicContact CD1-CB 4.3Å; L420-L501 HydrophobicContact CD2-CD2 3.68Å
421K94.7Very high90.5Very high84 Ų8438.1 Ų38.137%0.36518%0.178SC..Hα-helixtrans-61.3-50173.7-176.1-167.8173-158.80111.1E380 V417 F418 V419 L423 S424 E425 F497E380-K421 IonicContact OE1-NZ 3.52Å; E380-K421 PolarHBondContact OE1-NZ 2.95Å; V417-K421 PolarHBondContact O-N 2.95Å; V417-K421 VanDerWaalsContact O-N 3.07Å; F418-K421 WeakPolarHBondContact O-CB 3.39Å; F418-K421 PolarHBondContact O-N 2.91Å; V419-K421 VanDerWaalsContact C-N 3.32Å; V419-K421 PolarHBondContact O-N 3.24Å; K421-L423 PolarHBondContact O-N 3.21Å; K421-S424 WeakPolarHBondContact O-CB 3.47Å; K421-S424 PolarHBondContact O-N 2.81Å; K421-S424 VanDerWaalsContact O-N 3.13Å; K421-E425 PolarHBondContact O-N 2.94Å; K421-F497 HydrophobicContact CB-CD1 4.43Å
422V94.8Very high89.8Confident3 Ų331.5 Ų31.52%0.01816%0.161CC..Hα-helixtrans-60.5-43.5178.4169.80000111.8V379 E380 L404 F418 V419 S424 E425 L426V379-V422 HydrophobicContact CG1-CG1 3.72Å; E380-V422 HydrophobicContact CB-CG2 3.93Å; L404-V422 HydrophobicContact CD1-CG1 4.22Å; F418-V422 HydrophobicContact CD1-CG2 3.99Å; F418-V422 HydrophobicContact CE1-CG2 3.61Å; F418-V422 HydrophobicContact CZ-CG2 4.36Å; F418-V422 WeakPolarHBondContact O-CG2 3.26Å; F418-V422 PolarHBondContact O-N 3.46Å; V419-V422 PolarHBondContact O-N 2.85Å; V422-S424 VanDerWaalsContact C-N 3.26Å; V422-S424 PolarHBondContact O-N 3.03Å; V422-E425 PolarHBondContact O-N 2.72Å; V422-L426 HydrophobicContact CG1-CD1 4Å; V422-L426 HydrophobicContact CG1-CG 4.43Å; V422-L426 WeakPolarHBondContact O-CG 3.27Å; V422-L426 PolarHBondContact O-N 3.12Å
423L94.1Very high88.3Confident0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-62.8-33.6176.5-76.5172.9000112.1L401 L404 T405 A408 V419 L420 K421 L426 S427 L480 L501L401-L423 HydrophobicContact CD1-CD2 3.66Å; L404-L423 HydrophobicContact CB-CD2 3.8Å; L404-L423 HydrophobicContact CB-CG 4.27Å; L404-L423 HydrophobicContact CD1-CD2 4.31Å; T405-L423 HydrophobicContact CG2-CD2 4.45Å; A408-L423 HydrophobicContact CB-CD1 3.94Å; V419-L423 HydrophobicContact CG1-CD1 3.9Å; V419-L423 HydrophobicContact CG1-CG 4.21Å; V419-L423 WeakPolarHBondContact O-CB 3.46Å; V419-L423 WeakPolarHBondContact O-CG 3.43Å; V419-L423 PolarHBondContact O-N 3.08Å; L420-L423 PolarHBondContact O-N 3.37Å; K421-L423 PolarHBondContact O-N 3.21Å; L423-L426 PolarHBondContact O-N 3.22Å; L423-S427 VanDerWaalsContact O-CB 3.28Å; L423-S427 WeakPolarHBondContact O-CB 3.4Å; L423-S427 PolarHBondContact O-N 2.73Å; L423-S427 PolarHBondContact O-OG 3.15Å; L423-L480 HydrophobicContact CD1-CD1 4.38Å; L423-L480 HydrophobicContact CD1-CD2 4.37Å; L423-L501 HydrophobicContact CB-CD1 3.75Å; L423-L501 HydrophobicContact CB-CD2 4.02Å; L423-L501 HydrophobicContact CD1-CD2 4.2Å
424S92.6Very high86.3Confident12 Ų1235.2 Ų35.28%0.08417%0.167CC..Hα-helixtrans-63.8-50178.2-54.20000110L420 K421 V422 L426 S427 L428 L501 S504L420-S424 PolarHBondContact O-N 3.41Å; L420-S424 PolarHBondContact O-OG 3.25Å; K421-S424 WeakPolarHBondContact O-CB 3.47Å; K421-S424 PolarHBondContact O-N 2.81Å; K421-S424 VanDerWaalsContact O-N 3.13Å; V422-S424 VanDerWaalsContact C-N 3.26Å; V422-S424 PolarHBondContact O-N 3.03Å; S424-L426 PolarHBondContact O-N 3.28Å; S424-S427 PolarHBondContact O-N 2.88Å; S424-S427 PolarHBondContact O-OG 3.21Å; S424-L428 PolarHBondContact O-N 3Å; S424-L501 VanDerWaalsContact OG-CA 3.26Å; S424-L501 WeakPolarHBondContact OG-CA 3.31Å; S424-L501 WeakPolarHBondContact OG-CB 3.38Å; S424-L501 PolarHBondContact OG-N 3.33Å; S424-S504 WeakPolarHBondContact CA-OG 3.22Å; S424-S504 PolarHBondContact O-OG 3.09Å
425E90.4Very high83.9Confident71 Ų7134.6 Ų34.633%0.33217%0.167SC..Hα-helixtrans-59.7-46.4176.4-60.3-63.4159.800111.8K421 V422 S427 L428 V429K421-E425 PolarHBondContact O-N 2.94Å; V422-E425 PolarHBondContact O-N 2.72Å; E425-S427 VanDerWaalsContact C-N 3.34Å; E425-S427 PolarHBondContact O-N 2.96Å; E425-L428 PolarHBondContact O-N 2.95Å; E425-V429 PolarHBondContact O-N 3.07Å
426L89.7Confident81.3Confident5 Ų541.3 Ų41.33%0.02621%0.206CC..Hα-helixtrans-62.8-40.2177.6-70.9176.8000112V389 L404 V422 L423 S424 L428 V429 M430V389-L426 HydrophobicContact CG1-CD2 4.09Å; V389-L426 HydrophobicContact CG2-CD2 4.11Å; L404-L426 HydrophobicContact CD1-CD1 3.73Å; V422-L426 HydrophobicContact CG1-CD1 4Å; V422-L426 HydrophobicContact CG1-CG 4.43Å; V422-L426 WeakPolarHBondContact O-CG 3.27Å; V422-L426 PolarHBondContact O-N 3.12Å; L423-L426 PolarHBondContact O-N 3.22Å; S424-L426 PolarHBondContact O-N 3.28Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-L428 PolarHBondContact O-N 3.17Å; L426-V429 PolarHBondContact O-N 2.85Å; L426-M430 HydrophobicContact CB-SD 4.16Å; L426-M430 VanDerWaalsContact O-CB 3.31Å; L426-M430 WeakPolarHBondContact O-CB 3.28Å; L426-M430 WeakPolarHBondContact O-CG 3.49Å; L426-M430 PolarHBondContact O-N 3.31Å
427S87.9Confident78.6Confident0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-64.4-36.7-179.8690000112.9L423 S424 E425 L431 S504L423-S427 VanDerWaalsContact O-CB 3.28Å; L423-S427 WeakPolarHBondContact O-CB 3.4Å; L423-S427 PolarHBondContact O-N 2.73Å; L423-S427 PolarHBondContact O-OG 3.15Å; S424-S427 PolarHBondContact O-N 2.88Å; S424-S427 PolarHBondContact O-OG 3.21Å; E425-S427 VanDerWaalsContact C-N 3.34Å; E425-S427 PolarHBondContact O-N 2.96Å; S427-L431 VanDerWaalsContact O-CB 3.25Å; S427-L431 WeakPolarHBondContact O-CB 3.18Å; S427-L431 VanDerWaalsContact O-CG 3.28Å; S427-L431 WeakPolarHBondContact O-CG 3.5Å; S427-L431 PolarHBondContact O-N 3.15Å; S427-S504 VanDerWaalsContact OG-CB 3.22Å; S427-S504 WeakPolarHBondContact OG-CB 3.41Å; S427-S504 PolarHBondContact OG-OG 3.22Å
428L84.7Confident75.7Confident50 Ų5054.8 Ų54.826%0.26227%0.271SS..Hα-helixtrans-59.5-50.5175.1-70.9172.8000110.2S424 E425 L426 V432 E507S424-L428 PolarHBondContact O-N 3Å; E425-L428 PolarHBondContact O-N 2.95Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-L428 PolarHBondContact O-N 3.17Å; L428-V432 WeakPolarHBondContact O-CB 3.27Å; L428-V432 WeakPolarHBondContact O-CG2 3.29Å; L428-V432 PolarHBondContact O-N 2.9Å; L428-E507 WeakPolarHBondContact CD2-OE2 3.43Å
429V84.9Confident72.7Confident16 Ų1656.9 Ų56.910%0.09730%0.297CS..Hα-helixtrans-67.3-42.8-177.4-1780000112.1H386 V389 E425 L426H386-V429 HydrophobicContact CB-CG1 4.12Å; H386-V429 HydrophobicContact CB-CG2 3.91Å; H386-V429 WeakPolarHBondContact CD2-CG2 3.35Å; V389-V429 HydrophobicContact CB-CG1 4.41Å; V389-V429 HydrophobicContact CG1-CG1 4.12Å; E425-V429 PolarHBondContact O-N 3.07Å; L426-V429 PolarHBondContact O-N 2.85Å
430M81.8Confident69.6Low1 Ų164.6 Ų64.61%0.00534%0.338CS..Hα-helixtrans-78.1-24.7-171.5-64.9174.567.900113.1V389 V396 V397 L401 L426 V472V389-M430 HydrophobicContact CG1-CG 4.36Å; V396-M430 HydrophobicContact CG1-SD 4.25Å; V397-M430 HydrophobicContact CB-CE 4.37Å; V397-M430 HydrophobicContact CG2-CE 3.31Å; L401-M430 HydrophobicContact CD2-CE 4.06Å; L426-M430 HydrophobicContact CB-SD 4.16Å; L426-M430 VanDerWaalsContact O-CB 3.31Å; L426-M430 WeakPolarHBondContact O-CB 3.28Å; L426-M430 WeakPolarHBondContact O-CG 3.49Å; L426-M430 PolarHBondContact O-N 3.31Å; M430-V472 HydrophobicContact CE-CG1 4.35Å; M430-V472 HydrophobicContact CE-CG2 3.54Å
431L78.9Confident66.6Low15 Ų1573.4 Ų73.48%0.07938%0.38CS..Hα-helixtrans-95.4-17.9-178.4-63.4171.4000113.7S427 Q433 V472 L473 F476 M505 I512S427-L431 VanDerWaalsContact O-CB 3.25Å; S427-L431 WeakPolarHBondContact O-CB 3.18Å; S427-L431 VanDerWaalsContact O-CG 3.28Å; S427-L431 WeakPolarHBondContact O-CG 3.5Å; S427-L431 PolarHBondContact O-N 3.15Å; L431-Q433 VanDerWaalsContact C-N 3.26Å; L431-Q433 PolarHBondContact O-N 3.5Å; L431-V472 HydrophobicContact CD2-CG1 4.12Å; L431-L473 HydrophobicContact CD2-CD2 4.29Å; L431-F476 HydrophobicContact CD1-CE2 4.19Å; L431-F476 HydrophobicContact CD2-CE2 4.36Å; L431-F476 HydrophobicContact CG-CE2 4.39Å; L431-M505 HydrophobicContact CD1-CB 4.28Å; L431-M505 HydrophobicContact CD1-CG 4.36Å; L431-I512 HydrophobicContact CD1-CD1 3.86Å; L431-I512 HydrophobicContact CD2-CD1 4.32Å
432V73.4Confident63.5Low71 Ų7176.5 Ų76.543%0.4340%0.4SS..G310 helixtrans-66.1-21.6177.9164.30000113.7L428 R434 H508L428-V432 WeakPolarHBondContact O-CB 3.27Å; L428-V432 WeakPolarHBondContact O-CG2 3.29Å; L428-V432 PolarHBondContact O-N 2.9Å; V432-R434 PolarHBondContact O-N 3.48Å; V432-H508 HydrophobicContact CG2-CB 4.38Å; V432-H508 WeakPolarHBondContact CG2-CD2 3.44Å; V432-H508 WeakPolarHBondContact CG2-NE2 3.48Å
433Q57.7Low60.7Low78 Ų7884.4 Ų84.436%0.36444%0.437SS..G310 helixtrans-65.211.4-174.5-64.6-174.7-7.900115.6L431L431-Q433 VanDerWaalsContact C-N 3.26Å; L431-Q433 PolarHBondContact O-N 3.5Å
434R50.6Low57.7Low117 Ų11791.8 Ų91.844%0.44248%0.476SS..G310 helixtrans-110.9-19.3-170.6-153176-174.3170.71.6115.8V432V432-R434 PolarHBondContact O-N 3.48Å
435D41.5Very low54.8Low103 Ų10399 Ų9955%0.55151%0.506SS*.THydrogen-bonded Turntrans-84.8-13.7-166-71-18.6000115.3H508D435-H508 IonicContact OD2-ND1 3.5Å
436D36.6Very low52.3Low172 Ų172100.7 Ų100.792%0.9252%0.521SS*.THydrogen-bonded Turntrans-88.6-9.4-175.7-104-13.7000115.5
437E36.4Very low49.7Very low174 Ų174109 Ų10981%0.81356%0.56SS**SBendtrans-123.2-2.8-172.8-74-165.7166.300117.3
438N32.9Very low47Very low133 Ų133117 Ų11771%0.71160%0.597SS**  trans-137.622.7-174.4-68.7-66.9000116.6D440N438-D440 VanDerWaalsContact C-N 3.31Å; N438-D440 PolarHBondContact O-N 3.5Å
439A31.8Very low44.6Very low89 Ų89121.8 Ų121.874%0.73662%0.616SS**SBendtrans-80.81.6-178.600000115.5
440D31.6Very low42.3Very low163 Ų163130.6 Ų130.687%0.87265%0.647SS**SBendtrans-15454.3-174.6-112.3-11.6000114.9N438N438-D440 VanDerWaalsContact C-N 3.31Å; N438-D440 PolarHBondContact O-N 3.5Å
441E31.3Very low40Very low185 Ų185137.7 Ų137.786%0.86469%0.685SS**  trans-136.7113.8156.3-74.3-162.1171.800112.1E443E441-E443 PolarHBondContact O-N 2.98Å
442N29.9Very low37.9Very low148 Ų148147.6 Ų147.679%0.79172%0.722SS**  trans-35.9126.4174.8-67.7-58.7000114.4D444N442-D444 PolarHBondContact O-N 3.34Å
443E35Very low36.2Very low170 Ų170153.8 Ų153.879%0.79474%0.737SS**G310 helixtrans-64.3-0.6179.2-78.1-175.3145.700115.3E441 K445E441-E443 PolarHBondContact O-N 2.98Å; E443-K445 PolarHBondContact O-N 3.47Å
444D31.3Very low35.1Very low155 Ų155157.6 Ų157.683%0.82976%0.76SS**G310 helixtrans-86.99.6-175.4-71.4-25.7000115.4N442N442-D444 PolarHBondContact O-N 3.34Å
445K31.8Very low34.3Very low164 Ų164157.7 Ų157.771%0.71377%0.774SS**G310 helixtrans-122.912.7-178-72.7-170.7178.1178.80116.1E443E443-K445 PolarHBondContact O-N 3.47Å
446V37.9Very low33.9Very low106 Ų106161.9 Ų161.964%0.64279%0.79SS**SBendtrans-84.1-21.6-177.7-1790000112.8
447E36.1Very low33.9Very low180 Ų180157.9 Ų157.984%0.84179%0.789SS**SBendtrans-81.5-31.8-179.7-69-161.7151.400114.2K449E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 2.98Å
448E31.2Very low33.4Very low168 Ų168153.2 Ų153.279%0.78579%0.788SS**THydrogen-bonded Turntrans-78.2-13.1-179.4-77.7-168.3151.300114.8
449K33.6Very low33.1Very low150 Ų150152 Ų15265%0.65280%0.796SS**THydrogen-bonded Turntrans-93-3.2-179.1-88.6-177.6179.31740114.5E447E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 2.98Å
450R36.2Very low33.5Very low201 Ų201152.6 Ų152.676%0.75880%0.801SS**SBendtrans-80.5-30.3174.4-92-179.1172171.8-0.7113R452R450-R452 VanDerWaalsContact C-N 3.31Å; R450-R452 PolarHBondContact O-N 3.48Å
451D34.2Very low33.8Very low149 Ų149153.7 Ų153.780%0.79780%0.801SS**THydrogen-bonded Turntrans-82.70.8-175.7-77.3-6.3000115.3
452R35.3Very low33.9Very low224 Ų224157 Ų15785%0.84581%0.806SS**THydrogen-bonded Turntrans-112.74.1179.4-73.3-171.4176.3177.41.5115R450R450-R452 VanDerWaalsContact C-N 3.31Å; R450-R452 PolarHBondContact O-N 3.48Å
453R36.7Very low34.1Very low201 Ų201155 Ų15576%0.75880%0.803SS**SBendtrans-104.49.4-173-118.3-172.1-89.8-149.9-2.2115.6
454D34.6Very low34.1Very low158 Ų158149.3 Ų149.385%0.84579%0.79SS**SBendtrans-93.33.7175.3-73.9-20.2000113.8
455T34.6Very low34.7Very low119 Ų119147.6 Ų147.673%0.7378%0.781SS**SBendtrans-136.587.2176.1-260000109.9
456E32.5Very low35.3Very low190 Ų190142.5 Ų142.589%0.88878%0.775SS**  trans160.3107.2144.4-87.8168.8-16800109.3
457G36.7Very low36Very low88 Ų88146.8 Ų146.891%0.90778%0.78SS**  trans-75.6134.716800000110.5
458G26.7Very low36.9Very low76 Ų76138.4 Ų138.478%0.78474%0.741SS**  trans168.4115.6169.600000114.9
459A27.1Very low38.2Very low107 Ų107132 Ų13288%0.88471%0.714SS**  trans58.793.6156.600000118.4E461A459-E461 PolarHBondContact O-N 3.4Å
460A38.5Very low39.8Very low102 Ų102128.2 Ų128.284%0.84371%0.706SS**  trans-74.4114.6161.200000110.3
461E38.1Very low41.7Very low186 Ų186122 Ų12287%0.86969%0.686SS**  trans-162.8126.2152.5-108.3169-149.900107.5A459A459-E461 PolarHBondContact O-N 3.4Å
462R33.6Very low43.8Very low256 Ų256115 Ų11597%0.96665%0.648SS**SBendtrans94.264-168.4-56.1175.7-179.7178.10.6116
463S34.9Very low45.9Very low104 Ų104104.9 Ų104.973%0.72761%0.611SS**  trans-160.366.8159.9-174.80000110.1
464G34.8Very low48.1Very low51 Ų5197.3 Ų97.353%0.52659%0.589SS.*SBendtrans-91.3-44.5178.100000113.2
465D42.7Very low50.4Low119 Ų11990.9 Ų90.964%0.63656%0.556SS**Hα-helixtrans-81.3-30.8-166.6-66.4-35000114.4R467 S468 C469D465-R467 VanDerWaalsContact C-N 3.25Å; D465-R467 PolarHBondContact O-N 2.75Å; D465-S468 PolarHBondContact O-N 3.06Å; D465-S468 PolarHBondContact O-OG 2.92Å; D465-S468 VanDerWaalsContact O-OG 3.11Å; D465-C469 PolarHBondContact O-N 3Å
466G46.1Very low52.8Low57 Ų5785.2 Ų85.259%0.58852%0.521SS*.Hα-helixtrans-65.8-25.1177.500000114.2
467R50.9Low55.2Low197 Ų19778.4 Ų78.474%0.74349%0.492SS*.Hα-helixtrans-81.1-38.9-178.1-154.3177-166.5-179.53.2111.7D465 S470 Q471D465-R467 VanDerWaalsContact C-N 3.25Å; D465-R467 PolarHBondContact O-N 2.75Å; R467-S470 PolarHBondContact O-N 2.92Å; R467-S470 PolarHBondContact O-OG 3.36Å; R467-Q471 PolarHBondContact O-N 3.06Å
468S55.7Low57.4Low4 Ų481.9 Ų81.93%0.02848%0.482CS..Hα-helixtrans-70.8-40.9-177.365.10000112.4H393 D465 S470 Q471 V472H393-S468 PolarHBondContact CE1-OG 3.35Å; H393-S468 VanDerWaalsContact CE1-OG 3.31Å; H393-S468 PolarHBondContact ND1-OG 3.3Å; D465-S468 PolarHBondContact O-N 3.06Å; D465-S468 PolarHBondContact O-OG 2.92Å; D465-S468 VanDerWaalsContact O-OG 3.11Å; S468-S470 PolarHBondContact O-N 2.91Å; S468-Q471 WeakPolarHBondContact O-CA 3.14Å; S468-Q471 WeakPolarHBondContact O-CB 3.29Å; S468-Q471 PolarHBondContact O-N 3.32Å; S468-Q471 VanDerWaalsContact O-N 3.08Å; S468-V472 WeakPolarHBondContact O-CG2 3.43Å; S468-V472 PolarHBondContact O-N 3.48Å
469C59.5Low60.1Low33 Ų3379.9 Ų79.922%0.22346%0.456CS..Hα-helixtrans-62.8-40174.1-76.10000113D465 Q471 V472 L473D465-C469 PolarHBondContact O-N 3Å; C469-Q471 PolarHBondContact O-N 3.43Å; C469-V472 PolarHBondContact O-N 3.22Å; C469-L473 WeakPolarHBondContact O-CG 3.44Å; C469-L473 PolarHBondContact O-N 3.49Å; C469-L473 VanDerWaalsContact O-N 3.11Å
470S66.1Low63Low70 Ų7074.8 Ų74.849%0.4941%0.414SS..Hα-helixtrans-62.4-32.3174.3790000111.9R467 S468 S474R467-S470 PolarHBondContact O-N 2.92Å; R467-S470 PolarHBondContact O-OG 3.36Å; S468-S470 PolarHBondContact O-N 2.91Å; S470-S474 WeakPolarHBondContact O-CB 3.33Å; S470-S474 PolarHBondContact O-N 3.43Å
471Q76.1Confident65.3Low72 Ų7270.8 Ų70.834%0.33638%0.379SS..Hα-helixtrans-76.1-42.5179-169172.1-7.900112.1V397 D398 R467 S468 C469 L473 S474 V475V397-Q471 HydrophobicContact CG1-CB 4.2Å; V397-Q471 HydrophobicContact CG1-CG 3.98Å; D398-Q471 VanDerWaalsContact OD1-CD 3.29Å; D398-Q471 PolarHBondContact OD1-NE2 3.39Å; D398-Q471 PolarHBondContact OD1-OE1 3.05Å; R467-Q471 PolarHBondContact O-N 3.06Å; S468-Q471 WeakPolarHBondContact O-CA 3.14Å; S468-Q471 WeakPolarHBondContact O-CB 3.29Å; S468-Q471 PolarHBondContact O-N 3.32Å; S468-Q471 VanDerWaalsContact O-N 3.08Å; C469-Q471 PolarHBondContact O-N 3.43Å; Q471-L473 VanDerWaalsContact C-N 3.34Å; Q471-L473 PolarHBondContact O-N 3.33Å; Q471-S474 WeakPolarHBondContact CA-OG 3.34Å; Q471-S474 WeakPolarHBondContact O-CA 3.27Å; Q471-S474 WeakPolarHBondContact O-CB 3.48Å; Q471-S474 PolarHBondContact O-N 2.81Å; Q471-S474 VanDerWaalsContact O-N 3.07Å; Q471-S474 PolarHBondContact O-OG 3.37Å; Q471-V475 WeakPolarHBondContact O-CG2 3.16Å; Q471-V475 PolarHBondContact O-N 2.87Å
472V79.1Confident67.6Low0 Ų065.7 Ų65.70%036%0.364CS..Hα-helixtrans-54.3-51.4171.9173.40000110.9V397 L401 M430 L431 S468 C469 S474 V475 F476V397-V472 HydrophobicContact CB-CG2 4.28Å; V397-V472 HydrophobicContact CG1-CG2 3.78Å; V397-V472 HydrophobicContact CG2-CG2 3.43Å; V397-V472 VanDerWaalsContact CG2-CG2 3.43Å; L401-V472 HydrophobicContact CD2-CG1 4.42Å; M430-V472 HydrophobicContact CE-CG1 4.35Å; M430-V472 HydrophobicContact CE-CG2 3.54Å; L431-V472 HydrophobicContact CD2-CG1 4.12Å; S468-V472 WeakPolarHBondContact O-CG2 3.43Å; S468-V472 PolarHBondContact O-N 3.48Å; C469-V472 PolarHBondContact O-N 3.22Å; V472-S474 VanDerWaalsContact C-N 3.26Å; V472-S474 PolarHBondContact O-N 3.06Å; V472-V475 PolarHBondContact O-N 3.38Å; V472-F476 HydrophobicContact CG1-CD2 3.65Å; V472-F476 HydrophobicContact CG1-CE2 3.39Å; V472-F476 HydrophobicContact CG1-CZ 4.17Å; V472-F476 PolarHBondContact O-N 2.57Å
473L79.8Confident70.2Confident12 Ų1259.7 Ų59.76%0.06334%0.341CS..Hα-helixtrans-60.6-38.1177-70.3167000111.5L431 C469 Q471 T477 I512L431-L473 HydrophobicContact CD2-CD2 4.29Å; C469-L473 WeakPolarHBondContact O-CG 3.44Å; C469-L473 PolarHBondContact O-N 3.49Å; C469-L473 VanDerWaalsContact O-N 3.11Å; Q471-L473 VanDerWaalsContact C-N 3.34Å; Q471-L473 PolarHBondContact O-N 3.33Å; L473-T477 VanDerWaalsContact O-CB 3.24Å; L473-T477 WeakPolarHBondContact O-CB 3.49Å; L473-T477 PolarHBondContact O-N 3.38Å; L473-T477 PolarHBondContact O-OG1 3.17Å; L473-I512 HydrophobicContact CD2-CD1 3.79Å; L473-I512 HydrophobicContact CD2-CG1 3.7Å
474S82.9Confident72.9Confident43 Ų4354.8 Ų54.830%0.30131%0.307SS..Hα-helixtrans-66.1-39.9176.884.60000112.9S470 Q471 V472 K478S470-S474 WeakPolarHBondContact O-CB 3.33Å; S470-S474 PolarHBondContact O-N 3.43Å; Q471-S474 WeakPolarHBondContact CA-OG 3.34Å; Q471-S474 WeakPolarHBondContact O-CA 3.27Å; Q471-S474 WeakPolarHBondContact O-CB 3.48Å; Q471-S474 PolarHBondContact O-N 2.81Å; Q471-S474 VanDerWaalsContact O-N 3.07Å; Q471-S474 PolarHBondContact O-OG 3.37Å; V472-S474 VanDerWaalsContact C-N 3.26Å; V472-S474 PolarHBondContact O-N 3.06Å; S474-K478 VanDerWaalsContact O-CB 3.24Å; S474-K478 WeakPolarHBondContact O-CB 3.48Å; S474-K478 VanDerWaalsContact O-CG 3.26Å; S474-K478 WeakPolarHBondContact O-CG 2.93Å; S474-K478 PolarHBondContact O-N 2.79Å
475V82.3Confident75.5Confident23 Ų2356 Ų5614%0.13930%0.298CS..Hα-helixtrans-65.4-54.9176.8172.80000108.6L401 T405 Q471 V472 T477 K478 S479L401-V475 HydrophobicContact CD2-CB 4.32Å; L401-V475 HydrophobicContact CD2-CG1 4.07Å; L401-V475 HydrophobicContact CG-CG1 4.11Å; T405-V475 HydrophobicContact CG2-CG1 3.98Å; Q471-V475 WeakPolarHBondContact O-CG2 3.16Å; Q471-V475 PolarHBondContact O-N 2.87Å; V472-V475 PolarHBondContact O-N 3.38Å; V475-T477 VanDerWaalsContact C-N 3.3Å; V475-T477 PolarHBondContact O-N 2.81Å; V475-K478 PolarHBondContact O-N 3.04Å; V475-S479 PolarHBondContact O-N 3.33Å; V475-S479 PolarHBondContact O-OG 3.34Å
476F85.4Confident77.9Confident0 Ų054.7 Ų54.70%030%0.295CS..Iπ-helixtrans-55.7-42.4177.9-72.1-28.4000113.3L401 L431 V472 L480 L481 M505 I512L401-F476 HydrophobicContact CD1-CE1 3.8Å; L401-F476 HydrophobicContact CD1-CZ 4.18Å; L401-F476 HydrophobicContact CD2-CE1 4.06Å; L401-F476 HydrophobicContact CD2-CZ 4.23Å; L401-F476 HydrophobicContact CG-CE1 4.32Å; L431-F476 HydrophobicContact CD1-CE2 4.19Å; L431-F476 HydrophobicContact CD2-CE2 4.36Å; L431-F476 HydrophobicContact CG-CE2 4.39Å; V472-F476 HydrophobicContact CG1-CD2 3.65Å; V472-F476 HydrophobicContact CG1-CE2 3.39Å; V472-F476 HydrophobicContact CG1-CZ 4.17Å; V472-F476 PolarHBondContact O-N 2.57Å; F476-L480 HydrophobicContact CD1-CD1 3.53Å; F476-L480 HydrophobicContact CD1-CG 4.43Å; F476-L480 HydrophobicContact CE1-CD1 3.89Å; F476-L480 WeakPolarHBondContact O-CB 3.44Å; F476-L480 PolarHBondContact O-N 2.79Å; F476-L481 PolarHBondContact O-N 3.4Å; F476-M505 HydrophobicContact CB-CE 3.68Å; F476-M505 HydrophobicContact CD1-CE 4.15Å; F476-M505 HydrophobicContact CD2-CE 3.84Å; F476-M505 HydrophobicContact CE2-CE 4.46Å; F476-M505 HydrophobicContact CG-CE 3.65Å; F476-I512 HydrophobicContact CD2-CD1 4.34Å
477T82.4Confident80.1Confident46 Ų4652.2 Ų52.228%0.28227%0.268SS..Iπ-helixtrans-67.8-46.5179.2-54.20000111.8L473 V475 S482 L515L473-T477 VanDerWaalsContact O-CB 3.24Å; L473-T477 WeakPolarHBondContact O-CB 3.49Å; L473-T477 PolarHBondContact O-N 3.38Å; L473-T477 PolarHBondContact O-OG1 3.17Å; V475-T477 VanDerWaalsContact C-N 3.3Å; V475-T477 PolarHBondContact O-N 2.81Å; T477-S482 PolarHBondContact O-N 3.38Å; T477-L515 HydrophobicContact CG2-CD1 3.95Å; T477-L515 WeakPolarHBondContact OG1-CD1 3.46Å
478K83.7Confident82.1Confident161 Ų16142.9 Ų42.970%0.723%0.233SC*.Iπ-helixtrans-78-41.7-173.3-70.5176.6179.7177.10113S474 V475 S482S474-K478 VanDerWaalsContact O-CB 3.24Å; S474-K478 WeakPolarHBondContact O-CB 3.48Å; S474-K478 VanDerWaalsContact O-CG 3.26Å; S474-K478 WeakPolarHBondContact O-CG 2.93Å; S474-K478 PolarHBondContact O-N 2.79Å; V475-K478 PolarHBondContact O-N 3.04Å; K478-S482 PolarHBondContact O-OG 3.05Å
479S82.7Confident83.7Confident34 Ų3447.2 Ų47.224%0.23826%0.262CS..Iπ-helixtrans-98.2-37.1-17266.80000114.4T405 V475T405-S479 WeakPolarHBondContact CB-OG 3.23Å; T405-S479 WeakPolarHBondContact OG1-CB 3.27Å; T405-S479 PolarHBondContact OG1-OG 2.88Å; V475-S479 PolarHBondContact O-N 3.33Å; V475-S479 PolarHBondContact O-OG 3.34Å
480L87.4Confident85.2Confident0 Ų047.2 Ų47.20%027%0.265CS..Iπ-helixtrans-94-63.3-179.8-69.8-179.9000112.5T405 A408 F409 L423 F476 S482 R483 F484 L501 M505T405-L480 HydrophobicContact CG2-CD1 3.8Å; T405-L480 HydrophobicContact CG2-CD2 3.96Å; T405-L480 HydrophobicContact CG2-CG 3.59Å; A408-L480 HydrophobicContact CB-CD2 4.06Å; F409-L480 HydrophobicContact CE2-CD2 3.92Å; F409-L480 HydrophobicContact CZ-CD2 4.48Å; L423-L480 HydrophobicContact CD1-CD1 4.38Å; L423-L480 HydrophobicContact CD1-CD2 4.37Å; F476-L480 HydrophobicContact CD1-CD1 3.53Å; F476-L480 HydrophobicContact CD1-CG 4.43Å; F476-L480 HydrophobicContact CE1-CD1 3.89Å; F476-L480 WeakPolarHBondContact O-CB 3.44Å; F476-L480 PolarHBondContact O-N 2.79Å; L480-S482 VanDerWaalsContact C-N 3.26Å; L480-S482 PolarHBondContact O-N 3.25Å; L480-R483 PolarHBondContact O-N 3.41Å; L480-R483 VanDerWaalsContact O-N 3.08Å; L480-F484 HydrophobicContact CB-CD2 4.45Å; L480-F484 PolarHBondContact O-N 3.09Å; L480-F484 VanDerWaalsContact O-N 3.09Å; L480-L501 HydrophobicContact CD1-CD2 4.23Å; L480-M505 HydrophobicContact CD1-SD 4.44Å
481L87.6Confident86.3Confident19 Ų1947.6 Ų47.610%0.09927%0.272CS..G310 helixtrans-61.4-34.6-169.7-67.7176.7000112.5F476 R483 F484 L502 M505 I512 L515 I516 I521F476-L481 PolarHBondContact O-N 3.4Å; L481-R483 PolarHBondContact O-N 3.37Å; L481-R483 VanDerWaalsContact O-N 3.15Å; L481-F484 PolarHBondContact O-N 3.07Å; L481-L502 HydrophobicContact CD2-CD2 4.12Å; L481-M505 HydrophobicContact CD2-CE 4.37Å; L481-I512 HydrophobicContact CD1-CG2 4.42Å; L481-L515 HydrophobicContact CD1-CB 4.35Å; L481-L515 HydrophobicContact CD1-CD1 4.11Å; L481-I516 HydrophobicContact CD2-CG1 4.43Å; L481-I521 HydrophobicContact CD2-CD1 3.99Å
482S86.3Confident86.9Confident79 Ų7949 Ų4955%0.55228%0.278SS*.G310 helixtrans-60.4-22.9178.465.80000114.4T477 K478 L480T477-S482 PolarHBondContact O-N 3.38Å; K478-S482 PolarHBondContact O-OG 3.05Å; L480-S482 VanDerWaalsContact C-N 3.26Å; L480-S482 PolarHBondContact O-N 3.25Å
483R88.6Confident87.5Confident130 Ų13051.4 Ų51.449%0.49129%0.294SS..G310 helixtrans-125.27.3-176.1-67.3173.762.3-160.4-4113.1F409 L480 L481 E485 V486F409-R483 HydrophobicContact CE1-CB 3.73Å; F409-R483 VanDerWaalsContact CE1-O 3.3Å; F409-R483 WeakPolarHBondContact CE1-O 3.45Å; F409-R483 HydrophobicContact CE2-CB 4.39Å; F409-R483 HydrophobicContact CZ-CB 3.64Å; L480-R483 PolarHBondContact O-N 3.41Å; L480-R483 VanDerWaalsContact O-N 3.08Å; L481-R483 PolarHBondContact O-N 3.37Å; L481-R483 VanDerWaalsContact O-N 3.15Å; R483-E485 PolarHBondContact O-N 2.94Å; R483-V486 WeakPolarHBondContact O-CB 3.17Å; R483-V486 WeakPolarHBondContact O-CG2 3.43Å; R483-V486 PolarHBondContact O-N 3.1Å
484F91.4Very high88.2Confident1 Ų151.6 Ų51.60%0.00430%0.295CS..THydrogen-bonded Turntrans-62.6-29.3-168.3-149.3-88.7000113.9L480 L481 V486 L487 L488 A498 L501 L502 I521L480-F484 HydrophobicContact CB-CD2 4.45Å; L480-F484 PolarHBondContact O-N 3.09Å; L480-F484 VanDerWaalsContact O-N 3.09Å; L481-F484 PolarHBondContact O-N 3.07Å; F484-V486 PolarHBondContact O-N 3.39Å; F484-V486 VanDerWaalsContact O-N 3.16Å; F484-L487 HydrophobicContact CD2-CD1 4.23Å; F484-L487 HydrophobicContact CE2-CD1 4.12Å; F484-L487 HydrophobicContact CZ-CD1 4.44Å; F484-L487 WeakPolarHBondContact O-CB 3.41Å; F484-L487 PolarHBondContact O-N 2.76Å; F484-L488 HydrophobicContact CD1-CD1 4.06Å; F484-L488 HydrophobicContact CD1-CD2 4.44Å; F484-L488 HydrophobicContact CD1-CG 3.92Å; F484-L488 HydrophobicContact CE1-CD1 4.47Å; F484-L488 HydrophobicContact CE1-CD2 4.11Å; F484-L488 HydrophobicContact CE1-CG 4.09Å; F484-L488 PolarHBondContact O-N 3.4Å; F484-A498 HydrophobicContact CE1-CB 3.83Å; F484-A498 HydrophobicContact CZ-CB 3.87Å; F484-A498 VanDerWaalsContact CZ-O 3.26Å; F484-A498 WeakPolarHBondContact CZ-O 3.42Å; F484-L501 HydrophobicContact CE2-CD2 4.13Å; F484-L501 HydrophobicContact CZ-CD2 4.47Å; F484-L502 HydrophobicContact CD1-CD1 3.79Å; F484-L502 HydrophobicContact CD1-CD2 4.03Å; F484-L502 HydrophobicContact CD1-CG 4.05Å; F484-L502 HydrophobicContact CD2-CD2 4.32Å; F484-L502 HydrophobicContact CE1-CD1 3.36Å; F484-L502 HydrophobicContact CE1-CD2 3.68Å; F484-L502 HydrophobicContact CE1-CG 3.33Å; F484-L502 HydrophobicContact CE2-CD2 3.98Å; F484-L502 HydrophobicContact CE2-CG 4.32Å; F484-L502 HydrophobicContact CG-CD2 4.34Å; F484-L502 HydrophobicContact CZ-CD1 4.08Å; F484-L502 HydrophobicContact CZ-CD2 3.65Å; F484-L502 HydrophobicContact CZ-CG 3.49Å; F484-L502 VanDerWaalsContact CZ-CG 3.49Å; F484-I521 HydrophobicContact CB-CD1 3.85Å; F484-I521 HydrophobicContact CB-CG1 4.33Å
485E89.8Confident88.7Confident75 Ų7549.6 Ų49.635%0.3528%0.281SS..Hα-helixtrans-52.3-36.2174.5-65.4173.2-152.500112.3R483 L487 L488 C489 R520 V524R483-E485 PolarHBondContact O-N 2.94Å; E485-L487 VanDerWaalsContact C-N 3.27Å; E485-L487 PolarHBondContact O-N 3.34Å; E485-L488 PolarHBondContact O-N 3.31Å; E485-C489 WeakPolarHBondContact O-CB 3.42Å; E485-C489 PolarHBondContact O-N 2.69Å; E485-C489 PolarHBondContact O-SG 2.64Å; E485-C489 VanDerWaalsContact O-SG 3.42Å; E485-R520 VanDerWaalsContact OE1-CB 3.24Å; E485-R520 WeakPolarHBondContact OE1-CB 3.46Å; E485-V524 HydrophobicContact CG-CG2 4.32Å
486V91.9Very high89.3Confident92 Ų9250 Ų5056%0.55828%0.282SS*.Hα-helixtrans-62.9-35.4179.4-178.70000111.6R483 F484 A490R483-V486 WeakPolarHBondContact O-CB 3.17Å; R483-V486 WeakPolarHBondContact O-CG2 3.43Å; R483-V486 PolarHBondContact O-N 3.1Å; F484-V486 PolarHBondContact O-N 3.39Å; F484-V486 VanDerWaalsContact O-N 3.16Å; V486-A490 PolarHBondContact O-N 2.9Å
487L92.8Very high89.7Confident6 Ų652.2 Ų52.23%0.03129%0.292CS..Hα-helixtrans-75.5-37.6178.7-61.8171.5000111.5A408 F409 L420 F484 E485 A490 I494 A498A408-L487 WeakPolarHBondContact O-CD2 3.48Å; F409-L487 HydrophobicContact CD1-CD1 4.17Å; F409-L487 HydrophobicContact CD1-CD2 3.71Å; F409-L487 HydrophobicContact CD1-CG 3.78Å; F409-L487 HydrophobicContact CE1-CD1 3.63Å; F409-L487 HydrophobicContact CE1-CD2 3.96Å; F409-L487 HydrophobicContact CE1-CG 3.47Å; F409-L487 VanDerWaalsContact CE1-CG 3.47Å; F409-L487 HydrophobicContact CG-CD2 4.42Å; F409-L487 HydrophobicContact CZ-CD1 3.85Å; F409-L487 HydrophobicContact CZ-CG 4.22Å; L420-L487 HydrophobicContact CD2-CD1 4Å; F484-L487 HydrophobicContact CD2-CD1 4.23Å; F484-L487 HydrophobicContact CE2-CD1 4.12Å; F484-L487 HydrophobicContact CZ-CD1 4.44Å; F484-L487 WeakPolarHBondContact O-CB 3.41Å; F484-L487 PolarHBondContact O-N 2.76Å; E485-L487 VanDerWaalsContact C-N 3.27Å; E485-L487 PolarHBondContact O-N 3.34Å; L487-A490 WeakPolarHBondContact O-CB 3.45Å; L487-A490 PolarHBondContact O-N 3.14Å; L487-I494 HydrophobicContact CB-CG2 4.21Å; L487-I494 HydrophobicContact CD2-CG2 3.97Å; L487-A498 HydrophobicContact CB-CB 3.81Å
488L91.8Very high90.3Very high0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-69.4-33.1177.9-68.8-179.3000112.4F484 E485 P495 A498 L499 I521 V524 V525 L528F484-L488 HydrophobicContact CD1-CD1 4.06Å; F484-L488 HydrophobicContact CD1-CD2 4.44Å; F484-L488 HydrophobicContact CD1-CG 3.92Å; F484-L488 HydrophobicContact CE1-CD1 4.47Å; F484-L488 HydrophobicContact CE1-CD2 4.11Å; F484-L488 HydrophobicContact CE1-CG 4.09Å; F484-L488 PolarHBondContact O-N 3.4Å; E485-L488 PolarHBondContact O-N 3.31Å; L488-P495 WeakPolarHBondContact O-CG 3.41Å; L488-A498 HydrophobicContact CD2-CB 4.22Å; L488-L499 HydrophobicContact CD2-CD2 3.76Å; L488-L499 HydrophobicContact CD2-CG 3.84Å; L488-I521 HydrophobicContact CD1-CG2 3.92Å; L488-V524 HydrophobicContact CB-CG1 3.74Å; L488-V524 HydrophobicContact CD1-CB 4.33Å; L488-V524 HydrophobicContact CD1-CG1 4.04Å; L488-V525 HydrophobicContact CD1-CG2 3.91Å; L488-L528 HydrophobicContact CB-CD1 3.88Å; L488-L528 HydrophobicContact CD2-CD1 3.99Å; L488-L528 HydrophobicContact CG-CD1 4.39Å
489C90.5Very high90.8Very high96 Ų9642.3 Ų42.365%0.64925%0.245SC*.THydrogen-bonded Turntrans-89.23.3176.6-61.70000114.1E485E485-C489 WeakPolarHBondContact O-CB 3.42Å; E485-C489 PolarHBondContact O-N 2.69Å; E485-C489 PolarHBondContact O-SG 2.64Å; E485-C489 VanDerWaalsContact O-SG 3.42Å
490A91.1Very high91.4Very high33 Ų3345.1 Ų45.127%0.27325%0.253SS..SBendtrans-73.6167.9179.400000112.2V486 L487 I494 P495V486-A490 PolarHBondContact O-N 2.9Å; L487-A490 WeakPolarHBondContact O-CB 3.45Å; L487-A490 PolarHBondContact O-N 3.14Å; A490-I494 HydrophobicContact CB-CB 3.9Å; A490-I494 HydrophobicContact CB-CD1 4.01Å; A490-I494 HydrophobicContact CB-CG2 3.89Å; A490-P495 WeakPolarHBondContact O-CG 3.49Å
491A89.8Confident91.7Very high77 Ų7745.1 Ų45.164%0.63625%0.253SS*.SBendtrans-68.5146.9172.400000111.2I494 P495A491-I494 PolarHBondContact O-N 3.12Å; A491-P495 WeakPolarHBondContact O-CD 3.44Å
492E87.3Confident92Very high101 Ų10144.2 Ų44.247%0.47225%0.248SC..THydrogen-bonded Turntrans-52.2138.4171.8-72.4-66.615700110.8T538E492-T538 PolarHBondContact OE1-OG1 3.21Å
493P93Very high92.3Very high52 Ų5241.5 Ų41.534%0.33823%0.228SC..THydrogen-bonded Turncis-99.411.213.638.4-34.7000115.4V417 L496 F497V417-P493 HydrophobicContact CG2-CG 3.84Å; P493-L496 PolarHBondContact O-N 2.88Å; P493-F497 HydrophobicContact CB-CD2 4.37Å; P493-F497 HydrophobicContact CB-CE2 4.11Å; P493-F497 HydrophobicContact CG-CE2 4.45Å; P493-F497 VanDerWaalsContact O-CD2 3.29Å; P493-F497 WeakPolarHBondContact O-CD2 3.36Å
494I93.7Very high92.4Very high15 Ų1535.6 Ų35.68%0.07721%0.207CC..Hα-helixtrans-58.6-46.8-172.9-64.1168.6000113V413 V417 L420 L487 A490 A491 L496 F497 A498V413-I494 HydrophobicContact CB-CD1 4.45Å; V413-I494 HydrophobicContact CG1-CD1 4.11Å; V413-I494 HydrophobicContact CG1-CG1 4.03Å; V413-I494 HydrophobicContact CG2-CD1 4.21Å; V417-I494 HydrophobicContact CG2-CG1 4.06Å; L420-I494 HydrophobicContact CD1-CG2 4.04Å; L487-I494 HydrophobicContact CB-CG2 4.21Å; L487-I494 HydrophobicContact CD2-CG2 3.97Å; A490-I494 HydrophobicContact CB-CB 3.9Å; A490-I494 HydrophobicContact CB-CD1 4.01Å; A490-I494 HydrophobicContact CB-CG2 3.89Å; A491-I494 PolarHBondContact O-N 3.12Å; I494-L496 VanDerWaalsContact C-N 3.28Å; I494-L496 PolarHBondContact O-N 3.13Å; I494-F497 PolarHBondContact O-N 3.28Å; I494-F497 VanDerWaalsContact O-N 3.15Å; I494-A498 WeakPolarHBondContact O-CB 3.43Å; I494-A498 PolarHBondContact O-N 3.5Å
495P93.7Very high92.3Very high2 Ų235.6 Ų35.61%0.01321%0.207CC..Hα-helixtrans-57.2-38.6-178.1-2736.2000113.4L488 A490 A491 F497 A498 L499L488-P495 WeakPolarHBondContact O-CG 3.41Å; A490-P495 WeakPolarHBondContact O-CG 3.49Å; A491-P495 WeakPolarHBondContact O-CD 3.44Å; P495-F497 PolarHBondContact O-N 2.99Å; P495-A498 PolarHBondContact O-N 3.28Å; P495-L499 WeakPolarHBondContact O-CB 3.24Å; P495-L499 VanDerWaalsContact O-CG 3.29Å; P495-L499 WeakPolarHBondContact O-CG 3.43Å; P495-L499 PolarHBondContact O-N 2.93Å
496L93.9Very high92.2Very high32 Ų3232.2 Ų32.217%0.16819%0.191CC..Hα-helixtrans-58.3-49176.5173.460.6000112.3P493 I494 L499 K500 G537P493-L496 PolarHBondContact O-N 2.88Å; I494-L496 VanDerWaalsContact C-N 3.28Å; I494-L496 PolarHBondContact O-N 3.13Å; L496-L499 PolarHBondContact O-N 3.02Å; L496-K500 WeakPolarHBondContact O-CG 3.29Å; L496-K500 PolarHBondContact O-N 3.17Å; L496-K500 VanDerWaalsContact O-N 3.07Å; L496-G537 VanDerWaalsContact CD1-O 3.24Å; L496-G537 WeakPolarHBondContact CD1-O 3.38Å
497F94.9Very high91.9Very high45 Ų4532.9 Ų32.920%0.19719%0.189CC..Hα-helixtrans-74-31-178.9-69.5-83.7000112.3V417 L420 K421 P493 I494 P495 K500 L501V417-F497 HydrophobicContact CB-CD2 4.27Å; V417-F497 HydrophobicContact CG1-CD1 4.26Å; V417-F497 HydrophobicContact CG1-CD2 3.47Å; V417-F497 VanDerWaalsContact CG1-CD2 3.47Å; V417-F497 HydrophobicContact CG1-CE1 4.19Å; V417-F497 HydrophobicContact CG1-CE2 3.4Å; V417-F497 VanDerWaalsContact CG1-CE2 3.4Å; V417-F497 HydrophobicContact CG1-CG 3.92Å; V417-F497 HydrophobicContact CG1-CZ 3.78Å; V417-F497 HydrophobicContact CG2-CD2 4.05Å; V417-F497 HydrophobicContact CG2-CE2 4.46Å; L420-F497 HydrophobicContact CB-CB 3.87Å; L420-F497 HydrophobicContact CD1-CB 4.1Å; K421-F497 HydrophobicContact CB-CD1 4.43Å; P493-F497 HydrophobicContact CB-CD2 4.37Å; P493-F497 HydrophobicContact CB-CE2 4.11Å; P493-F497 HydrophobicContact CG-CE2 4.45Å; P493-F497 VanDerWaalsContact O-CD2 3.29Å; P493-F497 WeakPolarHBondContact O-CD2 3.36Å; I494-F497 PolarHBondContact O-N 3.28Å; I494-F497 VanDerWaalsContact O-N 3.15Å; P495-F497 PolarHBondContact O-N 2.99Å; F497-K500 HydrophobicContact CD1-CD 4.46Å; F497-K500 PolarHBondContact O-N 3.21Å; F497-L501 PolarHBondContact O-N 3.02Å
498A95Very high91.3Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-63.8-43.5171.100000111.2L420 F484 L487 L488 I494 P495 K500 L501 L502L420-A498 HydrophobicContact CD1-CB 4.3Å; F484-A498 HydrophobicContact CE1-CB 3.83Å; F484-A498 HydrophobicContact CZ-CB 3.87Å; F484-A498 VanDerWaalsContact CZ-O 3.26Å; F484-A498 WeakPolarHBondContact CZ-O 3.42Å; L487-A498 HydrophobicContact CB-CB 3.81Å; L488-A498 HydrophobicContact CD2-CB 4.22Å; I494-A498 WeakPolarHBondContact O-CB 3.43Å; I494-A498 PolarHBondContact O-N 3.5Å; P495-A498 PolarHBondContact O-N 3.28Å; A498-K500 PolarHBondContact O-N 3.39Å; A498-L501 WeakPolarHBondContact O-CB 3.48Å; A498-L501 PolarHBondContact O-N 3.28Å; A498-L502 PolarHBondContact O-N 3.17Å
499L94.2Very high90.9Very high0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-62.8-41.8174.8-73168.3000112.1L488 P495 L496 L501 L502 V503 V525 T538 A542 L545L488-L499 HydrophobicContact CD2-CD2 3.76Å; L488-L499 HydrophobicContact CD2-CG 3.84Å; P495-L499 WeakPolarHBondContact O-CB 3.24Å; P495-L499 VanDerWaalsContact O-CG 3.29Å; P495-L499 WeakPolarHBondContact O-CG 3.43Å; P495-L499 PolarHBondContact O-N 2.93Å; L496-L499 PolarHBondContact O-N 3.02Å; L499-L501 VanDerWaalsContact C-N 3.28Å; L499-L501 PolarHBondContact O-N 3.31Å; L499-L502 PolarHBondContact O-N 3.16Å; L499-L502 VanDerWaalsContact O-N 3.08Å; L499-V503 WeakPolarHBondContact O-CG2 3.48Å; L499-V503 PolarHBondContact O-N 3.19Å; L499-V525 HydrophobicContact CD2-CG1 4.32Å; L499-V525 HydrophobicContact CD2-CG2 3.93Å; L499-T538 HydrophobicContact CD1-CG2 3.54Å; L499-T538 WeakPolarHBondContact CD1-O 3.45Å; L499-A542 HydrophobicContact CD1-CB 3.98Å; L499-A542 HydrophobicContact CD2-CB 4.21Å; L499-L545 HydrophobicContact CD2-CD2 4.19Å
500K94.6Very high90.5Very high93 Ų9334 Ų3440%0.40419%0.189SC..Hα-helixtrans-58.4-39.9174.6-73.9179.1176.5-175.70112.6L496 F497 A498 V503 S504L496-K500 WeakPolarHBondContact O-CG 3.29Å; L496-K500 PolarHBondContact O-N 3.17Å; L496-K500 VanDerWaalsContact O-N 3.07Å; F497-K500 HydrophobicContact CD1-CD 4.46Å; F497-K500 PolarHBondContact O-N 3.21Å; A498-K500 PolarHBondContact O-N 3.39Å; K500-V503 PolarHBondContact O-N 2.98Å; K500-S504 PolarHBondContact O-N 3.28Å; K500-S504 PolarHBondContact O-OG 3.37Å
501L94.3Very high90Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-64.4-39.8173.6175.659.3000112.1L420 L423 S424 L480 F484 F497 A498 L499 S504 M505L420-L501 HydrophobicContact CD2-CD2 3.68Å; L423-L501 HydrophobicContact CB-CD1 3.75Å; L423-L501 HydrophobicContact CB-CD2 4.02Å; L423-L501 HydrophobicContact CD1-CD2 4.2Å; S424-L501 VanDerWaalsContact OG-CA 3.26Å; S424-L501 WeakPolarHBondContact OG-CA 3.31Å; S424-L501 WeakPolarHBondContact OG-CB 3.38Å; S424-L501 PolarHBondContact OG-N 3.33Å; L480-L501 HydrophobicContact CD1-CD2 4.23Å; F484-L501 HydrophobicContact CE2-CD2 4.13Å; F484-L501 HydrophobicContact CZ-CD2 4.47Å; F497-L501 PolarHBondContact O-N 3.02Å; A498-L501 WeakPolarHBondContact O-CB 3.48Å; A498-L501 PolarHBondContact O-N 3.28Å; L499-L501 VanDerWaalsContact C-N 3.28Å; L499-L501 PolarHBondContact O-N 3.31Å; L501-S504 WeakPolarHBondContact CA-OG 3.47Å; L501-S504 PolarHBondContact O-N 3.24Å; L501-S504 PolarHBondContact O-OG 3.14Å; L501-M505 HydrophobicContact CD1-CG 3.96Å; L501-M505 HydrophobicContact CD1-SD 3.79Å; L501-M505 HydrophobicContact CD2-SD 4.48Å; L501-M505 HydrophobicContact CG-CG 4.42Å; L501-M505 HydrophobicContact CG-SD 3.8Å; L501-M505 VanDerWaalsContact O-CB 3.3Å; L501-M505 WeakPolarHBondContact O-CB 3.49Å; L501-M505 WeakPolarHBondContact O-CG 3.33Å; L501-M505 PolarHBondContact O-N 3.03Å
502L92.8Very high89.8Confident0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-65.7-40174.6-69.8179.8000111.9L481 F484 A498 L499 M505 T506 I516 I521 L545L481-L502 HydrophobicContact CD2-CD2 4.12Å; F484-L502 HydrophobicContact CD1-CD1 3.79Å; F484-L502 HydrophobicContact CD1-CD2 4.03Å; F484-L502 HydrophobicContact CD1-CG 4.05Å; F484-L502 HydrophobicContact CD2-CD2 4.32Å; F484-L502 HydrophobicContact CE1-CD1 3.36Å; F484-L502 HydrophobicContact CE1-CD2 3.68Å; F484-L502 HydrophobicContact CE1-CG 3.33Å; F484-L502 HydrophobicContact CE2-CD2 3.98Å; F484-L502 HydrophobicContact CE2-CG 4.32Å; F484-L502 HydrophobicContact CG-CD2 4.34Å; F484-L502 HydrophobicContact CZ-CD1 4.08Å; F484-L502 HydrophobicContact CZ-CD2 3.65Å; F484-L502 HydrophobicContact CZ-CG 3.49Å; F484-L502 VanDerWaalsContact CZ-CG 3.49Å; A498-L502 PolarHBondContact O-N 3.17Å; L499-L502 PolarHBondContact O-N 3.16Å; L499-L502 VanDerWaalsContact O-N 3.08Å; L502-M505 PolarHBondContact O-N 3.42Å; L502-T506 WeakPolarHBondContact O-CB 2.95Å; L502-T506 VanDerWaalsContact O-CG2 3.29Å; L502-T506 WeakPolarHBondContact O-CG2 3.4Å; L502-T506 PolarHBondContact O-N 3.49Å; L502-T506 PolarHBondContact O-OG1 3.5Å; L502-I516 HydrophobicContact CD2-CD1 4.01Å; L502-I521 HydrophobicContact CD1-CG2 3.87Å; L502-L545 HydrophobicContact CB-CD1 3.83Å; L502-L545 HydrophobicContact CB-CD2 3.81Å; L502-L545 HydrophobicContact CB-CG 4.44Å; L502-L545 HydrophobicContact CD1-CD2 3.72Å; L502-L545 HydrophobicContact CG-CD2 4.44Å
503V92.3Very high89.7Confident22 Ų2227.9 Ų27.913%0.13314%0.142CC..Hα-helixtrans-57.6-52.9175.6170.20000109.8L499 K500 M505 T506 E507 S541 V544 L545 N548L499-V503 WeakPolarHBondContact O-CG2 3.48Å; L499-V503 PolarHBondContact O-N 3.19Å; K500-V503 PolarHBondContact O-N 2.98Å; V503-M505 VanDerWaalsContact C-N 3.3Å; V503-M505 PolarHBondContact O-N 3.33Å; V503-T506 PolarHBondContact O-N 3.47Å; V503-T506 VanDerWaalsContact O-N 3.12Å; V503-T506 PolarHBondContact O-OG1 3.11Å; V503-E507 PolarHBondContact O-N 2.88Å; V503-S541 VanDerWaalsContact CG2-O 3.25Å; V503-S541 WeakPolarHBondContact CG2-O 3.48Å; V503-V544 HydrophobicContact CG1-CG1 3.66Å; V503-V544 HydrophobicContact CG2-CB 4.28Å; V503-V544 HydrophobicContact CG2-CG1 4.12Å; V503-L545 HydrophobicContact CG2-CB 3.85Å; V503-N548 PolarHBondContact O-ND2 3.38Å; V503-N548 VanDerWaalsContact O-ND2 3.14Å
504S90.9Very high89.2Confident6 Ų629.2 Ų29.24%0.04214%0.14CC..Hα-helixtrans-63-35.5179.657.70000113.3S424 S427 K500 L501 T506S424-S504 WeakPolarHBondContact CA-OG 3.22Å; S424-S504 PolarHBondContact O-OG 3.09Å; S427-S504 VanDerWaalsContact OG-CB 3.22Å; S427-S504 WeakPolarHBondContact OG-CB 3.41Å; S427-S504 PolarHBondContact OG-OG 3.22Å; K500-S504 PolarHBondContact O-N 3.28Å; K500-S504 PolarHBondContact O-OG 3.37Å; L501-S504 WeakPolarHBondContact CA-OG 3.47Å; L501-S504 PolarHBondContact O-N 3.24Å; L501-S504 PolarHBondContact O-OG 3.14Å; S504-T506 VanDerWaalsContact C-N 3.33Å; S504-T506 PolarHBondContact O-N 2.94Å
505M89.3Confident88.7Confident0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-72.2-24.3176.8-73.9175.864.700113.7L431 F476 L480 L481 L501 L502 V503 S509 I512L431-M505 HydrophobicContact CD1-CB 4.28Å; L431-M505 HydrophobicContact CD1-CG 4.36Å; F476-M505 HydrophobicContact CB-CE 3.68Å; F476-M505 HydrophobicContact CD1-CE 4.15Å; F476-M505 HydrophobicContact CD2-CE 3.84Å; F476-M505 HydrophobicContact CE2-CE 4.46Å; F476-M505 HydrophobicContact CG-CE 3.65Å; L480-M505 HydrophobicContact CD1-SD 4.44Å; L481-M505 HydrophobicContact CD2-CE 4.37Å; L501-M505 HydrophobicContact CD1-CG 3.96Å; L501-M505 HydrophobicContact CD1-SD 3.79Å; L501-M505 HydrophobicContact CD2-SD 4.48Å; L501-M505 HydrophobicContact CG-CG 4.42Å; L501-M505 HydrophobicContact CG-SD 3.8Å; L501-M505 VanDerWaalsContact O-CB 3.3Å; L501-M505 WeakPolarHBondContact O-CB 3.49Å; L501-M505 WeakPolarHBondContact O-CG 3.33Å; L501-M505 PolarHBondContact O-N 3.03Å; L502-M505 PolarHBondContact O-N 3.42Å; V503-M505 VanDerWaalsContact C-N 3.3Å; V503-M505 PolarHBondContact O-N 3.33Å; M505-S509 WeakPolarHBondContact O-CB 3.42Å; M505-I512 HydrophobicContact CB-CD1 4.14Å; M505-I512 HydrophobicContact CB-CG2 4.29Å; M505-I512 HydrophobicContact CE-CD1 3.88Å; M505-I512 HydrophobicContact CE-CG2 4.35Å; M505-I512 WeakPolarHBondContact O-CD1 3.33Å
506T88.9Confident88.3Confident5 Ų531.3 Ų31.33%0.03115%0.151CC..Hα-helixtrans-96.6-20.7-176.349.60000113.8L502 V503 S504 H508 I512 C513 I516 L545 N548 L549L502-T506 WeakPolarHBondContact O-CB 2.95Å; L502-T506 VanDerWaalsContact O-CG2 3.29Å; L502-T506 WeakPolarHBondContact O-CG2 3.4Å; L502-T506 PolarHBondContact O-N 3.49Å; L502-T506 PolarHBondContact O-OG1 3.5Å; V503-T506 PolarHBondContact O-N 3.47Å; V503-T506 VanDerWaalsContact O-N 3.12Å; V503-T506 PolarHBondContact O-OG1 3.11Å; S504-T506 VanDerWaalsContact C-N 3.33Å; S504-T506 PolarHBondContact O-N 2.94Å; T506-H508 VanDerWaalsContact C-N 3.3Å; T506-H508 PolarHBondContact O-N 2.89Å; T506-I512 HydrophobicContact CG2-CG2 4.12Å; T506-C513 VanDerWaalsContact CB-SG 3.6Å; T506-C513 PolarHBondContact O-SG 3.4Å; T506-C513 VanDerWaalsContact O-SG 3.4Å; T506-I516 HydrophobicContact CG2-CD1 3.45Å; T506-I516 VanDerWaalsContact CG2-CD1 3.45Å; T506-L545 HydrophobicContact CG2-CD1 3.73Å; T506-L545 WeakPolarHBondContact OG1-CD1 3.38Å; T506-N548 WeakPolarHBondContact OG1-CB 3.2Å; T506-N548 PolarHBondContact OG1-ND2 3.19Å; T506-N548 VanDerWaalsContact OG1-ND2 3.1Å; T506-L549 HydrophobicContact CG2-CD2 4.19Å
507E85.7Confident87.7Confident106 Ų10631.5 Ų31.550%0.49515%0.151SC..Hα-helixtrans-56.2-41-177.2-166.6172.3173.300112.9L428 V503L428-E507 WeakPolarHBondContact CD2-OE2 3.43Å; V503-E507 PolarHBondContact O-N 2.88Å
508H80.1Confident86.9Confident51 Ų5136.4 Ų36.424%0.23617%0.174CC..THydrogen-bonded Turntrans-12115-176.2-57.4-70.5000114.1V432 D435 T506V432-H508 HydrophobicContact CG2-CB 4.38Å; V432-H508 WeakPolarHBondContact CG2-CD2 3.44Å; V432-H508 WeakPolarHBondContact CG2-NE2 3.48Å; D435-H508 IonicContact OD2-ND1 3.5Å; T506-H508 VanDerWaalsContact C-N 3.3Å; T506-H508 PolarHBondContact O-N 2.89Å
509S82.3Confident86.1Confident5 Ų537.7 Ų37.74%0.03519%0.188CC..  trans-136.394-174-165.40000114.4M505 Q511 I512 C513M505-S509 WeakPolarHBondContact O-CB 3.42Å; S509-Q511 PolarHBondContact O-N 3.34Å; S509-I512 PolarHBondContact O-N 3.05Å; S509-I512 VanDerWaalsContact O-N 3.16Å; S509-I512 WeakPolarHBondContact OG-CG1 3.35Å; S509-C513 PolarHBondContact O-N 3.34Å; S509-C513 PolarHBondContact O-SG 3.04Å; S509-C513 VanDerWaalsContact O-SG 3.32Å
510T81.8Confident85.6Confident68 Ų6846.5 Ų46.542%0.41722%0.221SC..Hα-helixtrans-57.8-33.2174.258.30000112.7C513 R514T510-C513 WeakPolarHBondContact O-CB 3.44Å; T510-C513 PolarHBondContact O-N 3.44Å; T510-R514 WeakPolarHBondContact O-CG 3.49Å; T510-R514 PolarHBondContact O-N 3.18Å
511Q82.3Confident85.3Confident79 Ų7942.5 Ų42.537%0.36920%0.204SC..Hα-helixtrans-66.7-41.4178-175.3169-8.800112.4S509 R514 L515S509-Q511 PolarHBondContact O-N 3.34Å; Q511-R514 PolarHBondContact O-N 3.4Å; Q511-L515 WeakPolarHBondContact O-CG 3.37Å; Q511-L515 PolarHBondContact O-N 3.03Å; Q511-L515 VanDerWaalsContact O-N 3.17Å
512I85.3Confident85Confident0 Ų043.5 Ų43.50%021%0.209CC..Hα-helixtrans-68.1-40.8175.6-65.6173.5000109.8L431 L473 F476 L481 M505 T506 S509 R514 L515 I516L431-I512 HydrophobicContact CD1-CD1 3.86Å; L431-I512 HydrophobicContact CD2-CD1 4.32Å; L473-I512 HydrophobicContact CD2-CD1 3.79Å; L473-I512 HydrophobicContact CD2-CG1 3.7Å; F476-I512 HydrophobicContact CD2-CD1 4.34Å; L481-I512 HydrophobicContact CD1-CG2 4.42Å; M505-I512 HydrophobicContact CB-CD1 4.14Å; M505-I512 HydrophobicContact CB-CG2 4.29Å; M505-I512 HydrophobicContact CE-CD1 3.88Å; M505-I512 HydrophobicContact CE-CG2 4.35Å; M505-I512 WeakPolarHBondContact O-CD1 3.33Å; T506-I512 HydrophobicContact CG2-CG2 4.12Å; S509-I512 PolarHBondContact O-N 3.05Å; S509-I512 VanDerWaalsContact O-N 3.16Å; S509-I512 WeakPolarHBondContact OG-CG1 3.35Å; I512-R514 VanDerWaalsContact C-N 3.29Å; I512-R514 PolarHBondContact O-N 3.29Å; I512-L515 PolarHBondContact O-N 2.93Å; I512-L515 VanDerWaalsContact O-N 3.13Å; I512-I516 HydrophobicContact CG2-CD1 3.79Å; I512-I516 HydrophobicContact CG2-CG1 4.33Å; I512-I516 WeakPolarHBondContact O-CG1 3.39Å; I512-I516 PolarHBondContact O-N 3.29Å
513C84.8Confident84.7Confident4 Ų444.6 Ų44.63%0.02722%0.216CC..Hα-helixtrans-54.6-44.8174.1-66.10000112T506 S509 T510 I516 K517 L549T506-C513 VanDerWaalsContact CB-SG 3.6Å; T506-C513 PolarHBondContact O-SG 3.4Å; T506-C513 VanDerWaalsContact O-SG 3.4Å; S509-C513 PolarHBondContact O-N 3.34Å; S509-C513 PolarHBondContact O-SG 3.04Å; S509-C513 VanDerWaalsContact O-SG 3.32Å; T510-C513 WeakPolarHBondContact O-CB 3.44Å; T510-C513 PolarHBondContact O-N 3.44Å; C513-I516 PolarHBondContact O-N 3.13Å; C513-K517 WeakPolarHBondContact O-CG 3.2Å; C513-K517 PolarHBondContact O-N 3.45Å; C513-L549 HydrophobicContact CB-CD2 3.83Å
514R82.4Confident84.6Confident80 Ų8044.4 Ų44.430%0.30222%0.215SC..Hα-helixtrans-63.2-42.1176.5-69.5172.2-157.2162.22.7112.7T510 Q511 I512 K517 Q518 D552T510-R514 WeakPolarHBondContact O-CG 3.49Å; T510-R514 PolarHBondContact O-N 3.18Å; Q511-R514 PolarHBondContact O-N 3.4Å; I512-R514 VanDerWaalsContact C-N 3.29Å; I512-R514 PolarHBondContact O-N 3.29Å; R514-K517 PolarHBondContact O-N 3.15Å; R514-Q518 WeakPolarHBondContact O-CB 3.17Å; R514-Q518 VanDerWaalsContact O-CG 3.32Å; R514-Q518 WeakPolarHBondContact O-CG 3.37Å; R514-Q518 PolarHBondContact O-N 2.93Å; R514-D552 IonicContact NE-OD2 2.65Å
515L83Confident84.6Confident60 Ų6044.1 Ų44.131%0.31421%0.214SC..Hα-helixtrans-64.7-39.8178.6-70.8171.4000112.1T477 L481 Q511 I512 Q518 G519T477-L515 HydrophobicContact CG2-CD1 3.95Å; T477-L515 WeakPolarHBondContact OG1-CD1 3.46Å; L481-L515 HydrophobicContact CD1-CB 4.35Å; L481-L515 HydrophobicContact CD1-CD1 4.11Å; Q511-L515 WeakPolarHBondContact O-CG 3.37Å; Q511-L515 PolarHBondContact O-N 3.03Å; Q511-L515 VanDerWaalsContact O-N 3.17Å; I512-L515 PolarHBondContact O-N 2.93Å; I512-L515 VanDerWaalsContact O-N 3.13Å; L515-Q518 PolarHBondContact O-N 3.25Å; L515-G519 PolarHBondContact O-N 2.93Å
516I85.7Confident84.6Confident1 Ų144.3 Ų44.31%0.00522%0.215CC..Hα-helixtrans-67-42.2176.7-66.3168.4000110.7L481 L502 T506 I512 C513 Q518 G519 I521 L549L481-I516 HydrophobicContact CD2-CG1 4.43Å; L502-I516 HydrophobicContact CD2-CD1 4.01Å; T506-I516 HydrophobicContact CG2-CD1 3.45Å; T506-I516 VanDerWaalsContact CG2-CD1 3.45Å; I512-I516 HydrophobicContact CG2-CD1 3.79Å; I512-I516 HydrophobicContact CG2-CG1 4.33Å; I512-I516 WeakPolarHBondContact O-CG1 3.39Å; I512-I516 PolarHBondContact O-N 3.29Å; C513-I516 PolarHBondContact O-N 3.13Å; I516-Q518 VanDerWaalsContact C-N 3.32Å; I516-Q518 PolarHBondContact O-N 3.47Å; I516-G519 PolarHBondContact O-N 3.38Å; I516-I521 HydrophobicContact CG2-CB 4.34Å; I516-I521 HydrophobicContact CG2-CG2 4.18Å; I516-L549 HydrophobicContact CB-CD2 4.19Å; I516-L549 HydrophobicContact CG2-CD1 3.9Å; I516-L549 HydrophobicContact CG2-CD2 4.19Å
517K80.9Confident84.7Confident36 Ų3649.9 Ų49.916%0.15724%0.24CC..Hα-helixtrans-61.8-36.6176.6-75.1177-179.5-179.70113.2C513 R514 L549C513-K517 WeakPolarHBondContact O-CG 3.2Å; C513-K517 PolarHBondContact O-N 3.45Å; R514-K517 PolarHBondContact O-N 3.15Å; K517-L549 WeakPolarHBondContact CE-O 3.35Å; K517-L549 HydrophobicContact CG-CD2 4.48Å; K517-L549 PolarHBondContact NZ-O 2.82Å
518Q77.9Confident84.9Confident149 Ų14946.1 Ų46.170%0.69622%0.223SC*.Hα-helixtrans-83.2-17.4179.4-69.3174.7-1.700113.2R514 L515 I516R514-Q518 WeakPolarHBondContact O-CB 3.17Å; R514-Q518 VanDerWaalsContact O-CG 3.32Å; R514-Q518 WeakPolarHBondContact O-CG 3.37Å; R514-Q518 PolarHBondContact O-N 2.93Å; L515-Q518 PolarHBondContact O-N 3.25Å; I516-Q518 VanDerWaalsContact C-N 3.32Å; I516-Q518 PolarHBondContact O-N 3.47Å
519G78.1Confident85.3Confident27 Ų2743.9 Ų43.928%0.27821%0.213SC..SBendtrans-91.3176.9-179.400000113.7L515 I516 I521L515-G519 PolarHBondContact O-N 2.93Å; I516-G519 PolarHBondContact O-N 3.38Å; G519-I521 VanDerWaalsContact C-N 3.31Å
520R83.5Confident85.6Confident185 Ų18548 Ų4870%0.69823%0.233SC*.SBendtrans-81.3-11.2174.7-66.8175.5-179.8-175.9-1.4113.5E485 L522 S523 V524E485-R520 VanDerWaalsContact OE1-CB 3.24Å; E485-R520 WeakPolarHBondContact OE1-CB 3.46Å; R520-L522 VanDerWaalsContact C-N 3.26Å; R520-L522 PolarHBondContact O-N 3.36Å; R520-S523 PolarHBondContact O-N 3.15Å; R520-V524 PolarHBondContact O-N 3Å
521I88.8Confident85.8Confident9 Ų948.5 Ų48.55%0.04624%0.244CC..Hα-helixtrans-54.3-44.1179.3-61.2173.8000110.4L481 F484 L488 L502 I516 G519 S523 V524 V525L481-I521 HydrophobicContact CD2-CD1 3.99Å; F484-I521 HydrophobicContact CB-CD1 3.85Å; F484-I521 HydrophobicContact CB-CG1 4.33Å; L488-I521 HydrophobicContact CD1-CG2 3.92Å; L502-I521 HydrophobicContact CD1-CG2 3.87Å; I516-I521 HydrophobicContact CG2-CB 4.34Å; I516-I521 HydrophobicContact CG2-CG2 4.18Å; G519-I521 VanDerWaalsContact C-N 3.31Å; I521-S523 PolarHBondContact O-N 3.45Å; I521-V524 PolarHBondContact O-N 3.31Å; I521-V525 HydrophobicContact CG2-CG2 4.33Å; I521-V525 WeakPolarHBondContact O-CG2 3.24Å; I521-V525 PolarHBondContact O-N 3.32Å
522L88Confident86.1Confident21 Ų2147.2 Ų47.211%0.1124%0.24CC..Hα-helixtrans-59.4-45.3179.9-179.858.5000112.4R520 V524 V525 L526 L546 L549 H561R520-L522 VanDerWaalsContact C-N 3.26Å; R520-L522 PolarHBondContact O-N 3.36Å; L522-V524 VanDerWaalsContact C-N 3.34Å; L522-V524 PolarHBondContact O-N 3.28Å; L522-V525 WeakPolarHBondContact O-CB 3.39Å; L522-V525 PolarHBondContact O-N 3.48Å; L522-L526 HydrophobicContact CD1-CG 4.45Å; L522-L526 HydrophobicContact CG-CD1 4.38Å; L522-L526 WeakPolarHBondContact O-CG 3.15Å; L522-L526 PolarHBondContact O-N 2.92Å; L522-L546 HydrophobicContact CD1-CD2 3.55Å; L522-L549 HydrophobicContact CD1-CD1 3.92Å; L522-H561 HydrophobicContact CD2-CB 4.03Å
523S87.8Confident86.1Confident22 Ų2249.9 Ų49.915%0.15426%0.258CS..Hα-helixtrans-63.7-39.2178.3-172.30000111.8R520 I521 V525 L526 Q527 E564R520-S523 PolarHBondContact O-N 3.15Å; I521-S523 PolarHBondContact O-N 3.45Å; S523-V525 PolarHBondContact O-N 3.39Å; S523-L526 PolarHBondContact O-N 3.02Å; S523-Q527 WeakPolarHBondContact O-CG 3.29Å; S523-Q527 PolarHBondContact O-N 3.13Å; S523-E564 PolarHBondContact OG-OE2 3.1Å; S523-E564 VanDerWaalsContact OG-OE2 3.11Å
524V89.7Confident86.1Confident18 Ų1849.8 Ų49.811%0.10926%0.258CS..Hα-helixtrans-63.9-39.5174.4179.80000111.6E485 L488 R520 I521 L522 Q527 L528E485-V524 HydrophobicContact CG-CG2 4.32Å; L488-V524 HydrophobicContact CB-CG1 3.74Å; L488-V524 HydrophobicContact CD1-CB 4.33Å; L488-V524 HydrophobicContact CD1-CG1 4.04Å; R520-V524 PolarHBondContact O-N 3Å; I521-V524 PolarHBondContact O-N 3.31Å; L522-V524 VanDerWaalsContact C-N 3.34Å; L522-V524 PolarHBondContact O-N 3.28Å; V524-Q527 PolarHBondContact O-N 2.93Å; V524-L528 HydrophobicContact CG1-CD1 4.37Å; V524-L528 WeakPolarHBondContact O-CB 3.38Å; V524-L528 WeakPolarHBondContact O-CG 3.2Å; V524-L528 PolarHBondContact O-N 3.04Å
525V91.3Very high86.2Confident1 Ų148.5 Ų48.51%0.00626%0.259CS..Hα-helixtrans-63.1-43.5175.6173.10000111.1L488 L499 I521 L522 S523 Q527 L528 I529 A542 L545L488-V525 HydrophobicContact CD1-CG2 3.91Å; L499-V525 HydrophobicContact CD2-CG1 4.32Å; L499-V525 HydrophobicContact CD2-CG2 3.93Å; I521-V525 HydrophobicContact CG2-CG2 4.33Å; I521-V525 WeakPolarHBondContact O-CG2 3.24Å; I521-V525 PolarHBondContact O-N 3.32Å; L522-V525 WeakPolarHBondContact O-CB 3.39Å; L522-V525 PolarHBondContact O-N 3.48Å; S523-V525 PolarHBondContact O-N 3.39Å; V525-Q527 PolarHBondContact O-N 3.11Å; V525-L528 WeakPolarHBondContact O-CB 3.27Å; V525-L528 PolarHBondContact O-N 3.23Å; V525-I529 HydrophobicContact CG1-CD1 4.4Å; V525-I529 WeakPolarHBondContact O-CG1 3.36Å; V525-I529 PolarHBondContact O-N 3.04Å; V525-A542 HydrophobicContact CG1-CB 3.85Å; V525-L545 HydrophobicContact CG1-CD2 4.26Å; V525-L545 HydrophobicContact CG2-CD2 3.98Å
526L89.5Confident86.4Confident4 Ų446.7 Ų46.72%0.02125%0.251CS..Hα-helixtrans-61.9-42.9176.7-68175000111.6L522 S523 L528 I529 M530 L546 E564 L565 V568L522-L526 HydrophobicContact CD1-CG 4.45Å; L522-L526 HydrophobicContact CG-CD1 4.38Å; L522-L526 WeakPolarHBondContact O-CG 3.15Å; L522-L526 PolarHBondContact O-N 2.92Å; S523-L526 PolarHBondContact O-N 3.02Å; L526-L528 PolarHBondContact O-N 3.21Å; L526-I529 PolarHBondContact O-N 3.12Å; L526-M530 PolarHBondContact O-N 2.96Å; L526-L546 HydrophobicContact CD2-CD1 3.97Å; L526-L546 HydrophobicContact CD2-CD2 4.12Å; L526-E564 HydrophobicContact CD1-CB 3.71Å; L526-L565 HydrophobicContact CD2-CD1 3.99Å; L526-V568 HydrophobicContact CB-CG2 4.03Å; L526-V568 HydrophobicContact CD2-CB 4.14Å; L526-V568 HydrophobicContact CD2-CG1 4.22Å; L526-V568 HydrophobicContact CD2-CG2 3.95Å
527Q89.6Confident86.4Confident121 Ų12147.9 Ų47.957%0.56526%0.264SS*.Hα-helixtrans-63.4-39.6174.5-70.2174.19.900112.6S523 V524 V525 I529 M530 A531S523-Q527 WeakPolarHBondContact O-CG 3.29Å; S523-Q527 PolarHBondContact O-N 3.13Å; V524-Q527 PolarHBondContact O-N 2.93Å; V525-Q527 PolarHBondContact O-N 3.11Å; Q527-I529 VanDerWaalsContact C-N 3.32Å; Q527-I529 PolarHBondContact O-N 3.46Å; Q527-M530 PolarHBondContact O-N 3.08Å; Q527-A531 WeakPolarHBondContact O-CB 3.45Å; Q527-A531 PolarHBondContact O-N 2.94Å
528L90.1Very high86.8Confident28 Ų2846.5 Ų46.515%0.14726%0.258CS..Hα-helixtrans-63.4-36.6176.7-82.1172.3000112.6L488 V524 V525 L526 A531 N532L488-L528 HydrophobicContact CB-CD1 3.88Å; L488-L528 HydrophobicContact CD2-CD1 3.99Å; L488-L528 HydrophobicContact CG-CD1 4.39Å; V524-L528 HydrophobicContact CG1-CD1 4.37Å; V524-L528 WeakPolarHBondContact O-CB 3.38Å; V524-L528 WeakPolarHBondContact O-CG 3.2Å; V524-L528 PolarHBondContact O-N 3.04Å; V525-L528 WeakPolarHBondContact O-CB 3.27Å; V525-L528 PolarHBondContact O-N 3.23Å; L526-L528 PolarHBondContact O-N 3.21Å; L528-A531 PolarHBondContact O-N 2.89Å; L528-N532 PolarHBondContact O-N 3.38Å; L528-N532 PolarHBondContact O-ND2 3.04Å
529I89.5Confident87.5Confident3 Ų339.4 Ų39.42%0.01523%0.225CC..Hα-helixtrans-63.2-48.3175.2-66.2165.7000109.7V525 L526 Q527 A531 N532 V539 A542 V543 L546 V568 T572V525-I529 HydrophobicContact CG1-CD1 4.4Å; V525-I529 WeakPolarHBondContact O-CG1 3.36Å; V525-I529 PolarHBondContact O-N 3.04Å; L526-I529 PolarHBondContact O-N 3.12Å; Q527-I529 VanDerWaalsContact C-N 3.32Å; Q527-I529 PolarHBondContact O-N 3.46Å; I529-A531 PolarHBondContact O-N 3.46Å; I529-N532 PolarHBondContact O-N 3.26Å; I529-V539 HydrophobicContact CG2-CG1 4.26Å; I529-A542 HydrophobicContact CD1-CB 3.82Å; I529-A542 HydrophobicContact CG1-CB 3.53Å; I529-V543 HydrophobicContact CD1-CG2 4.41Å; I529-L546 HydrophobicContact CD1-CD1 3.53Å; I529-L546 HydrophobicContact CD1-CG 4.4Å; I529-V568 HydrophobicContact CB-CG1 3.93Å; I529-V568 HydrophobicContact CD1-CG1 3.97Å; I529-V568 HydrophobicContact CG2-CG1 3.56Å; I529-T572 HydrophobicContact CG2-CG2 3.88Å; I529-T572 VanDerWaalsContact CG2-OG1 3.31Å; I529-T572 WeakPolarHBondContact CG2-OG1 3.25Å
530M87.1Confident88.1Confident91 Ų9140.8 Ų40.845%0.44823%0.225SC..Hα-helixtrans-64.9-26.4-179.6-65.7-60.1-67.300114L526 Q527 V568 S571L526-M530 PolarHBondContact O-N 2.96Å; Q527-M530 PolarHBondContact O-N 3.08Å; M530-V568 HydrophobicContact CG-CG2 3.7Å; M530-V568 HydrophobicContact SD-CB 4.33Å; M530-V568 HydrophobicContact SD-CG2 3.84Å; M530-S571 PolarHBondContact SD-OG 3.2Å
531A87.6Confident88.5Confident80 Ų8032.6 Ų32.666%0.66120%0.195SC*.Hα-helixtrans-85.2-13.9-177.300000114.1Q527 L528 I529Q527-A531 WeakPolarHBondContact O-CB 3.45Å; Q527-A531 PolarHBondContact O-N 2.94Å; L528-A531 PolarHBondContact O-N 2.89Å; I529-A531 PolarHBondContact O-N 3.46Å
532N87.6Confident88.6Confident51 Ų5132.1 Ų32.127%0.27319%0.193SC..SBendtrans-119.7156-172.6-73.9-75000111.8L528 I529 V539L528-N532 PolarHBondContact O-N 3.38Å; L528-N532 PolarHBondContact O-ND2 3.04Å; I529-N532 PolarHBondContact O-N 3.26Å; N532-V539 HydrophobicContact CB-CG2 3.72Å
533S85.8Confident88.8Confident56 Ų5631.1 Ų31.139%0.39219%0.188SC..  trans-70.8148.9175.865.50000111.9T535 S536 V539S533-T535 PolarHBondContact O-N 3.34Å; S533-T535 PolarHBondContact OG-OG1 3.49Å; S533-T535 VanDerWaalsContact OG-OG1 3.04Å; S533-S536 VanDerWaalsContact O-CB 3.29Å; S533-S536 WeakPolarHBondContact O-CB 3.43Å; S533-S536 PolarHBondContact O-N 2.9Å; S533-S536 PolarHBondContact O-OG 3.35Å; S533-V539 WeakPolarHBondContact O-CG2 3.37Å
534V84.8Confident89Confident2 Ų232.3 Ų32.31%0.01219%0.194CC..THydrogen-bonded Turntrans-59.6-15.5175.1-69.70000114.5T572 E575 A576 V579V534-T572 HydrophobicContact CG1-CG2 3.62Å; V534-E575 HydrophobicContact CG1-CB 3.97Å; V534-E575 HydrophobicContact CG1-CG 4.01Å; V534-E575 HydrophobicContact CG2-CB 4.48Å; V534-E575 HydrophobicContact CG2-CG 3.8Å; V534-A576 HydrophobicContact CB-CB 4.39Å; V534-A576 HydrophobicContact CG1-CB 4.26Å; V534-V579 HydrophobicContact CG2-CG2 4.12Å
535T83.2Confident89Confident53 Ų5331.5 Ų31.533%0.32519%0.189SC..THydrogen-bonded Turntrans-87.7-3.317651.40000113.7S533 V579 I591S533-T535 PolarHBondContact O-N 3.34Å; S533-T535 PolarHBondContact OG-OG1 3.49Å; S533-T535 VanDerWaalsContact OG-OG1 3.04Å; T535-V579 HydrophobicContact CG2-CG1 4.47Å; T535-I591 WeakPolarHBondContact O-CG2 3.16Å
536S87.8Confident89Confident23 Ų2331.8 Ų31.816%0.16119%0.191CC..SBendtrans-80.7144.6178.971.90000112.1S533 T538 V539 Q540S533-S536 VanDerWaalsContact O-CB 3.29Å; S533-S536 WeakPolarHBondContact O-CB 3.43Å; S533-S536 PolarHBondContact O-N 2.9Å; S533-S536 PolarHBondContact O-OG 3.35Å; S536-T538 PolarHBondContact O-N 3.24Å; S536-V539 PolarHBondContact O-N 3.43Å; S536-V539 VanDerWaalsContact OG-CG2 3.27Å; S536-V539 WeakPolarHBondContact OG-CG2 3.48Å; S536-V539 PolarHBondContact OG-N 2.89Å; S536-Q540 PolarHBondContact O-N 3.4Å
537G86.9Confident88.9Confident26 Ų2632 Ų3227%0.26819%0.193SC..Hα-helixtrans-65.1-23.2173.500000113.3L496 Q540 S541L496-G537 VanDerWaalsContact CD1-O 3.24Å; L496-G537 WeakPolarHBondContact CD1-O 3.38Å; G537-Q540 PolarHBondContact O-N 3.07Å; G537-S541 PolarHBondContact O-N 2.92Å; G537-S541 PolarHBondContact O-OG 3.14Å
538T89.3Confident88.8Confident6 Ų628.3 Ų28.34%0.03718%0.176CC..Hα-helixtrans-66.4-49.1177.1-54.30000110E492 L499 S536 Q540 S541 A542E492-T538 PolarHBondContact OE1-OG1 3.21Å; L499-T538 HydrophobicContact CD1-CG2 3.54Å; L499-T538 WeakPolarHBondContact CD1-O 3.45Å; S536-T538 PolarHBondContact O-N 3.24Å; T538-Q540 VanDerWaalsContact C-N 3.33Å; T538-Q540 PolarHBondContact O-N 3.37Å; T538-S541 PolarHBondContact O-N 3.41Å; T538-A542 VanDerWaalsContact O-CB 3.3Å; T538-A542 WeakPolarHBondContact O-CB 3.23Å; T538-A542 PolarHBondContact O-N 3.24Å
539V90.7Very high88.6Confident1 Ų127.3 Ų27.31%0.00617%0.171CC..Hα-helixtrans-60.6-43.7174.3172.60000110.8I529 N532 S533 S536 S541 A542 V543 T572 V595I529-V539 HydrophobicContact CG2-CG1 4.26Å; N532-V539 HydrophobicContact CB-CG2 3.72Å; S533-V539 WeakPolarHBondContact O-CG2 3.37Å; S536-V539 PolarHBondContact O-N 3.43Å; S536-V539 VanDerWaalsContact OG-CG2 3.27Å; S536-V539 WeakPolarHBondContact OG-CG2 3.48Å; S536-V539 PolarHBondContact OG-N 2.89Å; V539-S541 PolarHBondContact O-N 3.18Å; V539-A542 PolarHBondContact O-N 3.4Å; V539-V543 HydrophobicContact CG1-CG2 4.1Å; V539-V543 VanDerWaalsContact O-CG2 3.3Å; V539-V543 WeakPolarHBondContact O-CG2 3.4Å; V539-V543 PolarHBondContact O-N 3.04Å; V539-T572 HydrophobicContact CG1-CG2 4.08Å; V539-V595 HydrophobicContact CG1-CG1 4.08Å
540Q91Very high88.1Confident56 Ų5627.6 Ų27.626%0.26217%0.173SC..Hα-helixtrans-56.2-50.6176.7-173.2-171.4-2.700112.7S536 G537 T538 A542 V543 V544 V594 V595S536-Q540 PolarHBondContact O-N 3.4Å; G537-Q540 PolarHBondContact O-N 3.07Å; T538-Q540 VanDerWaalsContact C-N 3.33Å; T538-Q540 PolarHBondContact O-N 3.37Å; Q540-A542 VanDerWaalsContact C-N 3.33Å; Q540-A542 PolarHBondContact O-N 3.06Å; Q540-V543 PolarHBondContact O-N 3.49Å; Q540-V544 VanDerWaalsContact O-CG2 3.31Å; Q540-V544 WeakPolarHBondContact O-CG2 3.27Å; Q540-V544 PolarHBondContact O-N 3.3Å; Q540-V544 VanDerWaalsContact O-N 3.09Å; Q540-V594 HydrophobicContact CG-CG1 4.31Å; Q540-V595 HydrophobicContact CB-CG2 3.63Å; Q540-V595 HydrophobicContact CG-CG2 3.98Å
541S91.7Very high87.1Confident12 Ų1225.5 Ų25.58%0.08418%0.176CC..Hα-helixtrans-68.1-35.6-178.7-51.90000111.6V503 G537 T538 V539 L545V503-S541 VanDerWaalsContact CG2-O 3.25Å; V503-S541 WeakPolarHBondContact CG2-O 3.48Å; G537-S541 PolarHBondContact O-N 2.92Å; G537-S541 PolarHBondContact O-OG 3.14Å; T538-S541 PolarHBondContact O-N 3.41Å; V539-S541 PolarHBondContact O-N 3.18Å; S541-L545 WeakPolarHBondContact O-CB 3.41Å; S541-L545 PolarHBondContact O-N 3.44Å
542A92.4Very high85.9Confident0 Ų022.5 Ų22.50%015%0.148CC..Hα-helixtrans-66.6-41.8176.100000112.6L499 V525 I529 T538 V539 Q540 L545 L546L499-A542 HydrophobicContact CD1-CB 3.98Å; L499-A542 HydrophobicContact CD2-CB 4.21Å; V525-A542 HydrophobicContact CG1-CB 3.85Å; I529-A542 HydrophobicContact CD1-CB 3.82Å; I529-A542 HydrophobicContact CG1-CB 3.53Å; T538-A542 VanDerWaalsContact O-CB 3.3Å; T538-A542 WeakPolarHBondContact O-CB 3.23Å; T538-A542 PolarHBondContact O-N 3.24Å; V539-A542 PolarHBondContact O-N 3.4Å; Q540-A542 VanDerWaalsContact C-N 3.33Å; Q540-A542 PolarHBondContact O-N 3.06Å; A542-L545 WeakPolarHBondContact O-CB 3.34Å; A542-L545 PolarHBondContact O-N 3.16Å; A542-L546 WeakPolarHBondContact O-CG 3.25Å; A542-L546 PolarHBondContact O-N 3.02Å
543V91.2Very high84.1Confident0 Ų026 Ų260%017%0.172CC..Hα-helixtrans-66.5-43.4176.9173.40000110.9I529 V539 Q540 L545 L546 C547 A598 L599I529-V543 HydrophobicContact CD1-CG2 4.41Å; V539-V543 HydrophobicContact CG1-CG2 4.1Å; V539-V543 VanDerWaalsContact O-CG2 3.3Å; V539-V543 WeakPolarHBondContact O-CG2 3.4Å; V539-V543 PolarHBondContact O-N 3.04Å; Q540-V543 PolarHBondContact O-N 3.49Å; V543-L545 VanDerWaalsContact C-N 3.26Å; V543-L545 PolarHBondContact O-N 2.68Å; V543-L546 CarbonylContact O-C 3.39Å; V543-L546 WeakPolarHBondContact O-CA 3.44Å; V543-L546 WeakPolarHBondContact O-CB 3.27Å; V543-L546 PolarHBondContact O-N 3.5Å; V543-C547 PolarHBondContact O-N 3.38Å; V543-C547 PolarHBondContact O-SG 3.48Å; V543-C547 VanDerWaalsContact O-SG 3.41Å; V543-A598 HydrophobicContact CG1-CB 3.59Å; V543-L599 HydrophobicContact CB-CD2 4.4Å; V543-L599 HydrophobicContact CG1-CD2 3.71Å; V543-L599 HydrophobicContact CG1-CG 3.81Å; V543-L599 HydrophobicContact CG2-CD2 3.7Å; V543-L599 HydrophobicContact CG2-CG 4.15Å
544V91.3Very high82.2Confident46 Ų4626.4 Ų26.428%0.27917%0.171SC..Hα-helixtrans-59.6-39.9175.3174.20000111V503 Q540 L546 C547 N548 A598V503-V544 HydrophobicContact CG1-CG1 3.66Å; V503-V544 HydrophobicContact CG2-CB 4.28Å; V503-V544 HydrophobicContact CG2-CG1 4.12Å; Q540-V544 VanDerWaalsContact O-CG2 3.31Å; Q540-V544 WeakPolarHBondContact O-CG2 3.27Å; Q540-V544 PolarHBondContact O-N 3.3Å; Q540-V544 VanDerWaalsContact O-N 3.09Å; V544-L546 VanDerWaalsContact C-N 3.33Å; V544-L546 PolarHBondContact O-N 3.47Å; V544-C547 WeakPolarHBondContact O-CB 3.29Å; V544-C547 PolarHBondContact O-N 2.89Å; V544-C547 VanDerWaalsContact O-N 3.16Å; V544-N548 PolarHBondContact O-N 3.03Å; V544-A598 HydrophobicContact CG2-CB 4.28Å
545L91.7Very high80.5Confident1 Ų136.2 Ų36.21%0.00521%0.214CC..Hα-helixtrans-59.5-43.9172.7175.363.3000111.5L499 L502 V503 T506 V525 S541 A542 V543 C547 N548 L549L499-L545 HydrophobicContact CD2-CD2 4.19Å; L502-L545 HydrophobicContact CB-CD1 3.83Å; L502-L545 HydrophobicContact CB-CD2 3.81Å; L502-L545 HydrophobicContact CB-CG 4.44Å; L502-L545 HydrophobicContact CD1-CD2 3.72Å; L502-L545 HydrophobicContact CG-CD2 4.44Å; V503-L545 HydrophobicContact CG2-CB 3.85Å; T506-L545 HydrophobicContact CG2-CD1 3.73Å; T506-L545 WeakPolarHBondContact OG1-CD1 3.38Å; V525-L545 HydrophobicContact CG1-CD2 4.26Å; V525-L545 HydrophobicContact CG2-CD2 3.98Å; S541-L545 WeakPolarHBondContact O-CB 3.41Å; S541-L545 PolarHBondContact O-N 3.44Å; A542-L545 WeakPolarHBondContact O-CB 3.34Å; A542-L545 PolarHBondContact O-N 3.16Å; V543-L545 VanDerWaalsContact C-N 3.26Å; V543-L545 PolarHBondContact O-N 2.68Å; L545-C547 VanDerWaalsContact C-N 3.3Å; L545-C547 PolarHBondContact O-N 3.25Å; L545-N548 PolarHBondContact O-N 3.08Å; L545-L549 HydrophobicContact CD1-CD1 4.43Å; L545-L549 HydrophobicContact CD1-CG 4.36Å; L545-L549 HydrophobicContact CG-CD1 4.22Å; L545-L549 VanDerWaalsContact O-CG 3.28Å; L545-L549 WeakPolarHBondContact O-CG 3.35Å; L545-L549 PolarHBondContact O-N 3.42Å
546L90.1Very high78.6Confident8 Ų835.1 Ų35.14%0.04221%0.208CC..Hα-helixtrans-62-37.1175.4-66.7178000112L522 L526 I529 A542 V543 V544 L549 S550 L565 L602L522-L546 HydrophobicContact CD1-CD2 3.55Å; L526-L546 HydrophobicContact CD2-CD1 3.97Å; L526-L546 HydrophobicContact CD2-CD2 4.12Å; I529-L546 HydrophobicContact CD1-CD1 3.53Å; I529-L546 HydrophobicContact CD1-CG 4.4Å; A542-L546 WeakPolarHBondContact O-CG 3.25Å; A542-L546 PolarHBondContact O-N 3.02Å; V543-L546 CarbonylContact O-C 3.39Å; V543-L546 WeakPolarHBondContact O-CA 3.44Å; V543-L546 WeakPolarHBondContact O-CB 3.27Å; V543-L546 PolarHBondContact O-N 3.5Å; V544-L546 VanDerWaalsContact C-N 3.33Å; V544-L546 PolarHBondContact O-N 3.47Å; L546-L549 PolarHBondContact O-N 3.38Å; L546-S550 WeakPolarHBondContact O-CB 3.45Å; L546-S550 PolarHBondContact O-N 3.45Å; L546-L565 HydrophobicContact CD1-CD1 3.97Å; L546-L565 HydrophobicContact CD2-CD1 4.23Å; L546-L602 HydrophobicContact CB-CD1 4.07Å; L546-L602 HydrophobicContact CB-CD2 3.54Å; L546-L602 HydrophobicContact CB-CG 4.47Å; L546-L602 HydrophobicContact CD1-CD2 3.9Å; L546-L602 HydrophobicContact CG-CD2 4.39Å; L546-L602 WeakPolarHBondContact O-CD1 3.49Å
547C88Confident76.8Confident9 Ų942.7 Ų42.76%0.06124%0.241CC..Hα-helixtrans-58.3-50.8172.5-63.80000111.2V543 V544 L545 L549 S550 G551 A598V543-C547 PolarHBondContact O-N 3.38Å; V543-C547 PolarHBondContact O-SG 3.48Å; V543-C547 VanDerWaalsContact O-SG 3.41Å; V544-C547 WeakPolarHBondContact O-CB 3.29Å; V544-C547 PolarHBondContact O-N 2.89Å; V544-C547 VanDerWaalsContact O-N 3.16Å; L545-C547 VanDerWaalsContact C-N 3.3Å; L545-C547 PolarHBondContact O-N 3.25Å; C547-L549 VanDerWaalsContact C-N 3.29Å; C547-L549 PolarHBondContact O-N 3.01Å; C547-S550 WeakPolarHBondContact O-CB 3.39Å; C547-S550 PolarHBondContact O-N 2.96Å; C547-S550 PolarHBondContact O-OG 3.14Å; C547-G551 PolarHBondContact O-N 2.97Å; C547-G551 VanDerWaalsContact O-N 3.16Å; C547-A598 PolarHBondContact SG-O 3.32Å
548N88Confident75.1Confident42 Ų4245.2 Ų45.223%0.22525%0.246CC..Hα-helixtrans-57.5-42.2177.7-68.5-1.6000111.8V503 T506 V544 L545 S550 G551V503-N548 PolarHBondContact O-ND2 3.38Å; V503-N548 VanDerWaalsContact O-ND2 3.14Å; T506-N548 WeakPolarHBondContact OG1-CB 3.2Å; T506-N548 PolarHBondContact OG1-ND2 3.19Å; T506-N548 VanDerWaalsContact OG1-ND2 3.1Å; V544-N548 PolarHBondContact O-N 3.03Å; L545-N548 PolarHBondContact O-N 3.08Å; N548-S550 VanDerWaalsContact C-N 3.32Å; N548-S550 PolarHBondContact O-N 3.36Å; N548-G551 PolarHBondContact O-N 3.47Å
549L85.3Confident73.5Confident7 Ų751.4 Ų51.44%0.03727%0.274CS..Hα-helixtrans-68.2-32.2177-64.5175.7000112.2T506 C513 I516 K517 L522 L545 L546 C547 G551T506-L549 HydrophobicContact CG2-CD2 4.19Å; C513-L549 HydrophobicContact CB-CD2 3.83Å; I516-L549 HydrophobicContact CB-CD2 4.19Å; I516-L549 HydrophobicContact CG2-CD1 3.9Å; I516-L549 HydrophobicContact CG2-CD2 4.19Å; K517-L549 WeakPolarHBondContact CE-O 3.35Å; K517-L549 HydrophobicContact CG-CD2 4.48Å; K517-L549 PolarHBondContact NZ-O 2.82Å; L522-L549 HydrophobicContact CD1-CD1 3.92Å; L545-L549 HydrophobicContact CD1-CD1 4.43Å; L545-L549 HydrophobicContact CD1-CG 4.36Å; L545-L549 HydrophobicContact CG-CD1 4.22Å; L545-L549 VanDerWaalsContact O-CG 3.28Å; L545-L549 WeakPolarHBondContact O-CG 3.35Å; L545-L549 PolarHBondContact O-N 3.42Å; L546-L549 PolarHBondContact O-N 3.38Å; C547-L549 VanDerWaalsContact C-N 3.29Å; C547-L549 PolarHBondContact O-N 3.01Å; L549-G551 VanDerWaalsContact C-N 3.34Å
550S79.3Confident72.2Confident9 Ų959.3 Ų59.36%0.06331%0.311CS..Hα-helixtrans-73.1-23.317976.70000113.4L546 C547 N548 D552 N605 Q609L546-S550 WeakPolarHBondContact O-CB 3.45Å; L546-S550 PolarHBondContact O-N 3.45Å; C547-S550 WeakPolarHBondContact O-CB 3.39Å; C547-S550 PolarHBondContact O-N 2.96Å; C547-S550 PolarHBondContact O-OG 3.14Å; N548-S550 VanDerWaalsContact C-N 3.32Å; N548-S550 PolarHBondContact O-N 3.36Å; S550-D552 PolarHBondContact O-N 2.81Å; S550-N605 WeakPolarHBondContact OG-CB 3.42Å; S550-N605 PolarHBondContact OG-ND2 3.39Å; S550-Q609 PolarHBondContact O-NE2 3.27Å
551G66.4Low71.3Confident48 Ų4858.5 Ų58.550%0.49531%0.307SS..Hα-helixtrans-70.4-24.2179.900000115.1C547 N548 L549 T553C547-G551 PolarHBondContact O-N 2.97Å; C547-G551 VanDerWaalsContact O-N 3.16Å; N548-G551 PolarHBondContact O-N 3.47Å; L549-G551 VanDerWaalsContact C-N 3.34Å; G551-T553 PolarHBondContact O-N 3.21Å
552D60.8Low70.6Confident16 Ų1658.6 Ų58.69%0.08631%0.306CS..  trans-75.7112.8-176.2-167.72.9000111.5R514 S550 V554R514-D552 IonicContact NE-OD2 2.65Å; S550-D552 PolarHBondContact O-N 2.81Å; D552-V554 VanDerWaalsContact C-N 3.29Å; D552-V554 PolarHBondContact O-N 2.98Å; D552-V554 WeakPolarHBondContact OD1-CG2 3.38Å
553T50.1Low70.1Confident125 Ų12565.9 Ų65.977%0.76734%0.34SS*.  trans-80-1.6-172.9530000114.4G551 K555G551-T553 PolarHBondContact O-N 3.21Å; T553-K555 PolarHBondContact O-N 3.35Å
554V45.5Very low69.7Low64 Ų6469.5 Ų69.539%0.38836%0.357SS..  trans-72116.6-178-177.70000110.9D552 S556D552-V554 VanDerWaalsContact C-N 3.29Å; D552-V554 PolarHBondContact O-N 2.98Å; D552-V554 WeakPolarHBondContact OD1-CG2 3.38Å; V554-S556 PolarHBondContact O-N 3.31Å; V554-S556 PolarHBondContact O-OG 2.76Å; V554-S556 VanDerWaalsContact O-OG 3.13Å
555K50.3Low69.5Low209 Ų20968.5 Ų68.591%0.90935%0.35SS*.  trans-54.959.2-179.2-60.9177.6178.7177.60114.7T553T553-K555 PolarHBondContact O-N 3.35Å
556S42.2Very low69.3Low29 Ų2968.6 Ų68.620%0.20335%0.351CS..  trans-110.6109.3-176.353.60000110.7V554 Q558V554-S556 PolarHBondContact O-N 3.31Å; V554-S556 PolarHBondContact O-OG 2.76Å; V554-S556 VanDerWaalsContact O-OG 3.13Å; S556-Q558 PolarHBondContact O-N 3.23Å
557H49.7Very low69.2Low182 Ų18274 Ų7484%0.84338%0.376SS*.  trans33.645.5154-61.877.2000116.6Q559H557-Q559 PolarHBondContact O-N 2.92Å
558Q51.6Low69.3Low79 Ų7974 Ų7437%0.36938%0.375SS..THydrogen-bonded Turntrans-68.8-6.8-174.8-140.3165.9-6.700112.7S556 Q560 Q562S556-Q558 PolarHBondContact O-N 3.23Å; Q558-Q560 PolarHBondContact O-N 3.4Å; Q558-Q562 WeakPolarHBondContact O-CB 3.45Å; Q558-Q562 PolarHBondContact O-OE1 2.98Å
559Q57.4Low69.4Low136 Ų13672.1 Ų72.164%0.63637%0.365SS*.THydrogen-bonded Turntrans-71.6-25.7-170.5-76.2173.8-20.800114.8H557H557-Q559 PolarHBondContact O-N 2.92Å
560Q62.6Low69.7Low168 Ų16872.5 Ų72.579%0.78537%0.368SS*.THydrogen-bonded Turntrans-77.3-29.4-169.4-159.6170.3-6.100114Q558Q558-Q560 PolarHBondContact O-N 3.4Å
561H71.6Confident70.3Confident38 Ų3874 Ų7418%0.17638%0.379CS..THydrogen-bonded Turntrans-1142.8179.9-58.3114.1000113.4L522 Q563 E564 L565L522-H561 HydrophobicContact CD2-CB 4.03Å; H561-Q563 VanDerWaalsContact C-N 3.31Å; H561-Q563 PolarHBondContact O-N 3.18Å; H561-E564 PolarHBondContact O-N 2.96Å; H561-L565 WeakPolarHBondContact O-CB 3.39Å; H561-L565 PolarHBondContact O-N 3.41Å
562Q77.5Confident71.4Confident14 Ų1472 Ų727%0.06536%0.357CS..Hα-helixtrans-59.4-41.7-176-165.977.37.900112Q558 L565 V566 A639 N640Q558-Q562 WeakPolarHBondContact O-CB 3.45Å; Q558-Q562 PolarHBondContact O-OE1 2.98Å; Q562-L565 PolarHBondContact O-N 3.21Å; Q562-V566 VanDerWaalsContact O-CG2 3.25Å; Q562-V566 WeakPolarHBondContact O-CG2 3.48Å; Q562-V566 PolarHBondContact O-N 3.31Å; Q562-A639 HydrophobicContact CG-CB 4.32Å; Q562-N640 PolarHBondContact NE2-ND2 2.91Å; Q562-N640 PolarHBondContact NE2-OD1 3.43Å
563Q80.8Confident72.9Confident153 Ų15371.3 Ų71.372%0.71535%0.353SS*.Hα-helixtrans-67.7-44.8-177.5-171.9174-7.500111.9H561 V566 E567H561-Q563 VanDerWaalsContact C-N 3.31Å; H561-Q563 PolarHBondContact O-N 3.18Å; Q563-V566 PolarHBondContact O-N 2.91Å; Q563-E567 PolarHBondContact O-N 3.04Å
564E83.8Confident74.9Confident76 Ų7666.5 Ų66.536%0.35533%0.325SS..Hα-helixtrans-62.6-42.1175.2-65.6178.5-169.100111S523 L526 H561 V566 E567 V568S523-E564 PolarHBondContact OG-OE2 3.1Å; S523-E564 VanDerWaalsContact OG-OE2 3.11Å; L526-E564 HydrophobicContact CD1-CB 3.71Å; H561-E564 PolarHBondContact O-N 2.96Å; E564-V566 PolarHBondContact O-N 3.21Å; E564-E567 PolarHBondContact O-N 3.4Å; E564-V568 VanDerWaalsContact O-CG2 3.26Å; E564-V568 WeakPolarHBondContact O-CG2 3.31Å; E564-V568 PolarHBondContact O-N 2.98Å
565L86.8Confident77Confident26 Ų2667.6 Ų67.614%0.13633%0.326CS..Hα-helixtrans-61.7-43.7177.3178.365.3000112.2L526 L546 H561 Q562 V568 L569 V606L526-L565 HydrophobicContact CD2-CD1 3.99Å; L546-L565 HydrophobicContact CD1-CD1 3.97Å; L546-L565 HydrophobicContact CD2-CD1 4.23Å; H561-L565 WeakPolarHBondContact O-CB 3.39Å; H561-L565 PolarHBondContact O-N 3.41Å; Q562-L565 PolarHBondContact O-N 3.21Å; L565-V568 PolarHBondContact O-N 3.01Å; L565-L569 HydrophobicContact CD1-CD1 4.36Å; L565-L569 HydrophobicContact CD1-CG 4.44Å; L565-L569 HydrophobicContact CG-CD1 4.14Å; L565-L569 WeakPolarHBondContact O-CB 3.4Å; L565-L569 WeakPolarHBondContact O-CG 3.16Å; L565-L569 PolarHBondContact O-N 2.95Å; L565-V606 HydrophobicContact CD2-CG2 4.31Å
566V87.7Confident78.8Confident2 Ų257.7 Ų57.71%0.01228%0.282CS..Hα-helixtrans-64.8-43178.4168.90000110.9Q562 Q563 E564 L569 V570 N640 P642 L643Q562-V566 VanDerWaalsContact O-CG2 3.25Å; Q562-V566 WeakPolarHBondContact O-CG2 3.48Å; Q562-V566 PolarHBondContact O-N 3.31Å; Q563-V566 PolarHBondContact O-N 2.91Å; E564-V566 PolarHBondContact O-N 3.21Å; V566-L569 PolarHBondContact O-N 3.28Å; V566-V570 HydrophobicContact CG1-CG2 4.42Å; V566-V570 VanDerWaalsContact O-CG2 3.3Å; V566-V570 WeakPolarHBondContact O-CG2 3.49Å; V566-V570 PolarHBondContact O-N 2.81Å; V566-N640 WeakPolarHBondContact CG2-OD1 3.38Å; V566-P642 HydrophobicContact CG1-CB 3.81Å; V566-P642 HydrophobicContact CG1-CG 3.97Å; V566-L643 HydrophobicContact CG1-CD2 4.01Å; V566-L643 HydrophobicContact CG1-CG 4.04Å; V566-L643 HydrophobicContact CG2-CD2 4.5Å; V566-L643 HydrophobicContact CG2-CG 4.43Å
567E88.6Confident81Confident123 Ų12356.3 Ų56.358%0.57527%0.273SS*.Hα-helixtrans-60-47.9176.5-174.7175.5-179.800111.6Q563 E564 L569 V570 S571Q563-E567 PolarHBondContact O-N 3.04Å; E564-E567 PolarHBondContact O-N 3.4Å; E567-L569 PolarHBondContact O-N 3.46Å; E567-V570 PolarHBondContact O-N 3.3Å; E567-S571 PolarHBondContact O-N 3.43Å; E567-S571 PolarHBondContact O-OG 3.32Å; E567-S571 VanDerWaalsContact O-OG 3.1Å
568V89.2Confident82.8Confident7 Ų752.9 Ų52.94%0.04226%0.257CS..Hα-helixtrans-61.3-43.6176.7172.70000111.8L526 I529 M530 E564 L565 S571 T572L526-V568 HydrophobicContact CB-CG2 4.03Å; L526-V568 HydrophobicContact CD2-CB 4.14Å; L526-V568 HydrophobicContact CD2-CG1 4.22Å; L526-V568 HydrophobicContact CD2-CG2 3.95Å; I529-V568 HydrophobicContact CB-CG1 3.93Å; I529-V568 HydrophobicContact CD1-CG1 3.97Å; I529-V568 HydrophobicContact CG2-CG1 3.56Å; M530-V568 HydrophobicContact CG-CG2 3.7Å; M530-V568 HydrophobicContact SD-CB 4.33Å; M530-V568 HydrophobicContact SD-CG2 3.84Å; E564-V568 VanDerWaalsContact O-CG2 3.26Å; E564-V568 WeakPolarHBondContact O-CG2 3.31Å; E564-V568 PolarHBondContact O-N 2.98Å; L565-V568 PolarHBondContact O-N 3.01Å; V568-S571 PolarHBondContact O-OG 3.25Å; V568-S571 VanDerWaalsContact O-OG 3.04Å; V568-T572 WeakPolarHBondContact O-CB 3.18Å; V568-T572 PolarHBondContact O-N 3.38Å; V568-T572 PolarHBondContact O-OG1 3.25Å
569L90.6Very high84.5Confident3 Ų351.7 Ų51.72%0.01626%0.255CS..Hα-helixtrans-61.8-45.6177.8-87.2173.5000111.9L565 V566 E567 L573 L599 L602 V606 L643L565-L569 HydrophobicContact CD1-CD1 4.36Å; L565-L569 HydrophobicContact CD1-CG 4.44Å; L565-L569 HydrophobicContact CG-CD1 4.14Å; L565-L569 WeakPolarHBondContact O-CB 3.4Å; L565-L569 WeakPolarHBondContact O-CG 3.16Å; L565-L569 PolarHBondContact O-N 2.95Å; V566-L569 PolarHBondContact O-N 3.28Å; E567-L569 PolarHBondContact O-N 3.46Å; L569-L573 WeakPolarHBondContact O-CB 3.31Å; L569-L573 PolarHBondContact O-N 3Å; L569-L599 HydrophobicContact CD2-CD2 4.08Å; L569-L602 HydrophobicContact CD1-CG 4.34Å; L569-L602 HydrophobicContact CD2-CB 4.31Å; L569-L602 HydrophobicContact CD2-CD2 3.55Å; L569-L602 HydrophobicContact CD2-CG 3.82Å; L569-L602 HydrophobicContact CG-CD2 4.23Å; L569-V606 HydrophobicContact CD1-CG2 4.16Å; L569-L643 HydrophobicContact CB-CD2 4.14Å; L569-L643 HydrophobicContact CD1-CD2 4.39Å
570V90.9Very high85.8Confident15 Ų1545.9 Ų45.99%0.09123%0.228CC..Hα-helixtrans-64.6-48.5-179.5173.20000110.9V566 E567 S574 P642 L643 Q645 L646V566-V570 HydrophobicContact CG1-CG2 4.42Å; V566-V570 VanDerWaalsContact O-CG2 3.3Å; V566-V570 WeakPolarHBondContact O-CG2 3.49Å; V566-V570 PolarHBondContact O-N 2.81Å; E567-V570 PolarHBondContact O-N 3.3Å; V570-S574 VanDerWaalsContact O-CB 3.28Å; V570-S574 WeakPolarHBondContact O-CB 3.19Å; V570-S574 PolarHBondContact O-N 3.41Å; V570-S574 PolarHBondContact O-OG 3.28Å; V570-P642 HydrophobicContact CG2-CB 4.24Å; V570-P642 WeakPolarHBondContact CG2-O 3.39Å; V570-L643 HydrophobicContact CG2-CD2 4.04Å; V570-Q645 HydrophobicContact CG1-CB 4.41Å; V570-L646 HydrophobicContact CG1-CD2 4.33Å; V570-L646 HydrophobicContact CG2-CD1 4.24Å; V570-L646 HydrophobicContact CG2-CG 4.32Å
571S91.5Very high86.8Confident42 Ų4241.2 Ų41.229%0.29421%0.208SC..Hα-helixtrans-65.2-51.1-177.960.70000111.9M530 E567 V568 S574 E575M530-S571 PolarHBondContact SD-OG 3.2Å; E567-S571 PolarHBondContact O-N 3.43Å; E567-S571 PolarHBondContact O-OG 3.32Å; E567-S571 VanDerWaalsContact O-OG 3.1Å; V568-S571 PolarHBondContact O-OG 3.25Å; V568-S571 VanDerWaalsContact O-OG 3.04Å; S571-S574 PolarHBondContact O-N 2.68Å; S571-E575 PolarHBondContact O-N 2.83Å
572T91.1Very high87Confident5 Ų544.2 Ų44.23%0.03123%0.225CC..Hα-helixtrans-72.1-39.4-172.2-45.80000111.4I529 V534 V539 V568 A576 L599I529-T572 HydrophobicContact CG2-CG2 3.88Å; I529-T572 VanDerWaalsContact CG2-OG1 3.31Å; I529-T572 WeakPolarHBondContact CG2-OG1 3.25Å; V534-T572 HydrophobicContact CG1-CG2 3.62Å; V539-T572 HydrophobicContact CG1-CG2 4.08Å; V568-T572 WeakPolarHBondContact O-CB 3.18Å; V568-T572 PolarHBondContact O-N 3.38Å; V568-T572 PolarHBondContact O-OG1 3.25Å; T572-A576 VanDerWaalsContact O-CB 3.23Å; T572-A576 WeakPolarHBondContact O-CB 3.38Å; T572-A576 PolarHBondContact O-N 2.97Å; T572-L599 HydrophobicContact CG2-CD1 3.87Å; T572-L599 HydrophobicContact CG2-CD2 4.32Å
573L92Very high86.4Confident1 Ų145.1 Ų45.11%0.00524%0.238CC..Hα-helixtrans-67.9-39.7175.7-170.384.8000111.3L569 A576 A577 L596 L599 L600 L603 L646L569-L573 WeakPolarHBondContact O-CB 3.31Å; L569-L573 PolarHBondContact O-N 3Å; L573-A576 PolarHBondContact O-N 3.18Å; L573-A577 WeakPolarHBondContact O-CB 3.5Å; L573-A577 PolarHBondContact O-N 3.35Å; L573-L596 HydrophobicContact CD1-CD1 3.79Å; L573-L599 HydrophobicContact CB-CD1 4.4Å; L573-L599 HydrophobicContact CD1-CB 3.44Å; L573-L599 VanDerWaalsContact CD1-CB 3.44Å; L573-L599 HydrophobicContact CD1-CD1 4.23Å; L573-L599 HydrophobicContact CD1-CG 4.44Å; L573-L600 HydrophobicContact CD1-CD2 4.25Å; L573-L600 HydrophobicContact CD1-CG 4.37Å; L573-L603 HydrophobicContact CD2-CD2 4Å; L573-L646 HydrophobicContact CB-CD2 4.07Å; L573-L646 HydrophobicContact CD2-CB 4.12Å; L573-L646 HydrophobicContact CD2-CD1 3.66Å; L573-L646 HydrophobicContact CD2-CD2 3.81Å; L573-L646 HydrophobicContact CD2-CG 4.04Å; L573-L646 HydrophobicContact CG-CD2 4.39Å
574S90.6Very high85Confident25 Ų2546.7 Ų46.718%0.17525%0.245CC..Hα-helixtrans-62.3-46.1177-57.60000111.1V570 S571 A577 Q578 L646V570-S574 VanDerWaalsContact O-CB 3.28Å; V570-S574 WeakPolarHBondContact O-CB 3.19Å; V570-S574 PolarHBondContact O-N 3.41Å; V570-S574 PolarHBondContact O-OG 3.28Å; S571-S574 PolarHBondContact O-N 2.68Å; S574-A577 PolarHBondContact O-N 3.27Å; S574-Q578 WeakPolarHBondContact O-CB 3.47Å; S574-Q578 PolarHBondContact O-N 3.41Å; S574-L646 WeakPolarHBondContact OG-CD2 3.49Å
575E89.9Confident83.7Confident87 Ų8751 Ų5141%0.40726%0.263SS..Hα-helixtrans-62.8-46.7176.1-170.3-173.1162.500111.7V534 S571 A577 Q578 V579V534-E575 HydrophobicContact CG1-CB 3.97Å; V534-E575 HydrophobicContact CG1-CG 4.01Å; V534-E575 HydrophobicContact CG2-CB 4.48Å; V534-E575 HydrophobicContact CG2-CG 3.8Å; S571-E575 PolarHBondContact O-N 2.83Å; E575-A577 PolarHBondContact O-N 2.57Å; E575-Q578 PolarHBondContact O-N 2.96Å; E575-V579 VanDerWaalsContact O-CG2 3.31Å; E575-V579 WeakPolarHBondContact O-CG2 3.33Å; E575-V579 PolarHBondContact O-N 2.93Å
576A89.4Confident82.4Confident0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-64-39.8178.900000112.8V534 T572 L573 Y580 L596 L599V534-A576 HydrophobicContact CB-CB 4.39Å; V534-A576 HydrophobicContact CG1-CB 4.26Å; T572-A576 VanDerWaalsContact O-CB 3.23Å; T572-A576 WeakPolarHBondContact O-CB 3.38Å; T572-A576 PolarHBondContact O-N 2.97Å; L573-A576 PolarHBondContact O-N 3.18Å; A576-Y580 VanDerWaalsContact O-CB 3.28Å; A576-Y580 WeakPolarHBondContact O-CB 3.38Å; A576-Y580 PolarHBondContact O-N 3.24Å; A576-L596 HydrophobicContact CB-CD1 4.37Å; A576-L599 HydrophobicContact CB-CD1 4Å
577A88.6Confident80.8Confident0 Ų061.1 Ų61.10%032%0.322CS..Hα-helixtrans-65-43.217600000111L573 S574 E575 Y580 L581 H649 M653L573-A577 WeakPolarHBondContact O-CB 3.5Å; L573-A577 PolarHBondContact O-N 3.35Å; S574-A577 PolarHBondContact O-N 3.27Å; E575-A577 PolarHBondContact O-N 2.57Å; A577-Y580 PolarHBondContact O-N 3.4Å; A577-L581 WeakPolarHBondContact O-CB 3.05Å; A577-L581 VanDerWaalsContact O-CG 3.22Å; A577-L581 WeakPolarHBondContact O-CG 3.47Å; A577-L581 PolarHBondContact O-N 3.3Å; A577-H649 HydrophobicContact CB-CB 4.02Å; A577-M653 HydrophobicContact CB-CE 4.37Å; A577-M653 HydrophobicContact CB-SD 4.05Å
578Q87.1Confident79.4Confident111 Ų11156.4 Ų56.452%0.51931%0.307SS..Hα-helixtrans-62.2-49.2176.6-173.6175.51.300111.6S574 E575 Y580 L581 D582S574-Q578 WeakPolarHBondContact O-CB 3.47Å; S574-Q578 PolarHBondContact O-N 3.41Å; E575-Q578 PolarHBondContact O-N 2.96Å; Q578-Y580 VanDerWaalsContact C-N 3.25Å; Q578-Y580 PolarHBondContact O-N 2.89Å; Q578-L581 PolarHBondContact O-N 3.06Å; Q578-D582 WeakPolarHBondContact CG-OD2 3.19Å; Q578-D582 WeakPolarHBondContact O-CB 3.4Å; Q578-D582 PolarHBondContact O-N 3.1Å
579V86.3Confident78.5Confident53 Ų5360.7 Ų60.732%0.32132%0.322SS..Hα-helixtrans-60.2-35.9177.4172.40000112V534 T535 E575 S592V534-V579 HydrophobicContact CG2-CG2 4.12Å; T535-V579 HydrophobicContact CG2-CG1 4.47Å; E575-V579 VanDerWaalsContact O-CG2 3.31Å; E575-V579 WeakPolarHBondContact O-CG2 3.33Å; E575-V579 PolarHBondContact O-N 2.93Å; V579-S592 WeakPolarHBondContact CG1-OG 3.27Å
580Y85.6Confident77.8Confident15 Ų1568.2 Ų68.26%0.05936%0.355CS..Hα-helixtrans-69.4-40.5177.8176.9-112.2000112.8A576 A577 Q578 L593 L596 T656 N658 V661A576-Y580 VanDerWaalsContact O-CB 3.28Å; A576-Y580 WeakPolarHBondContact O-CB 3.38Å; A576-Y580 PolarHBondContact O-N 3.24Å; A577-Y580 PolarHBondContact O-N 3.4Å; Q578-Y580 VanDerWaalsContact C-N 3.25Å; Q578-Y580 PolarHBondContact O-N 2.89Å; Y580-L593 HydrophobicContact CD2-CD1 4.25Å; Y580-L593 HydrophobicContact CE2-CD1 3.75Å; Y580-L596 HydrophobicContact CD1-CD2 3.7Å; Y580-L596 HydrophobicContact CD2-CD2 4.3Å; Y580-L596 HydrophobicContact CE1-CD2 4.26Å; Y580-L596 HydrophobicContact CG-CD2 3.71Å; Y580-T656 HydrophobicContact CE1-CG2 3.76Å; Y580-N658 WeakPolarHBondContact OH-CB 3.5Å; Y580-V661 HydrophobicContact CE1-CG1 4.08Å
581L82.3Confident76.9Confident70 Ų7070.4 Ų70.437%0.36637%0.366SS..Hα-helixtrans-75.7-33.4-179.5-67.3169.5000112.7A577 Q578 G583 H652 T656A577-L581 WeakPolarHBondContact O-CB 3.05Å; A577-L581 VanDerWaalsContact O-CG 3.22Å; A577-L581 WeakPolarHBondContact O-CG 3.47Å; A577-L581 PolarHBondContact O-N 3.3Å; Q578-L581 PolarHBondContact O-N 3.06Å; L581-G583 VanDerWaalsContact C-N 3.31Å; L581-G583 PolarHBondContact O-N 2.7Å; L581-H652 HydrophobicContact CD1-CB 3.89Å; L581-T656 HydrophobicContact CD2-CG2 3.95Å
582D77.7Confident76.4Confident101 Ų10168.4 Ų68.454%0.5435%0.352SS..THydrogen-bonded Turntrans-79-0.6-174.9-74.6-16000115Q578 E584Q578-D582 WeakPolarHBondContact CG-OD2 3.19Å; Q578-D582 WeakPolarHBondContact O-CB 3.4Å; Q578-D582 PolarHBondContact O-N 3.1Å; D582-E584 VanDerWaalsContact C-N 3.28Å; D582-E584 PolarHBondContact O-N 3.11Å
583G63.1Low76.1Confident32 Ų3270 Ų7033%0.3336%0.36SS..  trans65.7-12.3156.100000120.8L581 K585L581-G583 VanDerWaalsContact C-N 3.31Å; L581-G583 PolarHBondContact O-N 2.7Å; G583-K585 PolarHBondContact O-N 3.45Å
584E52.8Low75.9Confident187 Ų18772.8 Ų72.887%0.87438%0.376SS*.  trans-85.4-9.6-158-80.7-172.4166.700118.1D582D582-E584 VanDerWaalsContact C-N 3.28Å; D582-E584 PolarHBondContact O-N 3.11Å
585K55.9Low75.9Confident166 Ų16671.6 Ų71.672%0.72237%0.368SS*.  trans-138.1106.3-178-64.4-177.6-175172.10114.7G583 A587 G588 R589G583-K585 PolarHBondContact O-N 3.45Å; K585-A587 PolarHBondContact O-N 3.06Å; K585-G588 PolarHBondContact O-N 3.13Å; K585-R589 VanDerWaalsContact O-CB 3.27Å; K585-R589 WeakPolarHBondContact O-CB 3.44Å; K585-R589 PolarHBondContact O-N 2.79Å
586H59.3Low75.9Confident159 Ų15967.4 Ų67.474%0.73635%0.349SS*.Hα-helixtrans-57.4-33.5-173.4-74.1-33.3000116.9
587A54.4Low76Confident81 Ų8169.9 Ų69.967%0.66936%0.36SS*.Hα-helixtrans-80.9-45.9-17900000113K585 R589 K590K585-A587 PolarHBondContact O-N 3.06Å; A587-R589 PolarHBondContact O-N 3.16Å; A587-K590 PolarHBondContact O-N 3.41Å
588G59.5Low76.1Confident24 Ų2470.3 Ų70.325%0.24736%0.364CS..Hα-helixtrans-65.2-29.7175.200000112.7K585 K590 I591 S592K585-G588 PolarHBondContact O-N 3.13Å; G588-K590 VanDerWaalsContact C-N 3.31Å; G588-K590 PolarHBondContact O-N 3.26Å; G588-I591 PolarHBondContact O-N 3.29Å; G588-S592 VanDerWaalsContact O-CB 3.27Å; G588-S592 WeakPolarHBondContact O-CB 3.44Å; G588-S592 PolarHBondContact O-N 3.1Å
589R69.6Low76.4Confident98 Ų9865.1 Ų65.137%0.3734%0.34SS..Hα-helixtrans-62.3-32.9176.6-168.3173.6-176.4-169.1-4113.5K585 A587 L593K585-R589 VanDerWaalsContact O-CB 3.27Å; K585-R589 WeakPolarHBondContact O-CB 3.44Å; K585-R589 PolarHBondContact O-N 2.79Å; A587-R589 PolarHBondContact O-N 3.16Å; R589-L593 VanDerWaalsContact O-CB 3.29Å; R589-L593 WeakPolarHBondContact O-CB 3.45Å; R589-L593 PolarHBondContact O-N 3.5Å
590K75.9Confident76.7Confident160 Ų16062.7 Ų62.770%0.69633%0.325SS*.Hα-helixtrans-69.3-47.1178.2-72.8-173.6178.8-175.70112.3A587 G588 L593 V594A587-K590 PolarHBondContact O-N 3.41Å; G588-K590 VanDerWaalsContact C-N 3.31Å; G588-K590 PolarHBondContact O-N 3.26Å; K590-L593 PolarHBondContact O-N 3.28Å; K590-V594 PolarHBondContact O-N 3.41Å
591I72.5Confident77Confident62 Ų6266.7 Ų66.732%0.31834%0.344SS..Hα-helixtrans-65.5-46.3177.6-60.8171.8000109.3T535 G588 L593 V594 V595T535-I591 WeakPolarHBondContact O-CG2 3.16Å; G588-I591 PolarHBondContact O-N 3.29Å; I591-L593 PolarHBondContact O-N 3.3Å; I591-V594 PolarHBondContact O-N 2.93Å; I591-V594 VanDerWaalsContact O-N 3.12Å; I591-V595 HydrophobicContact CG2-CG2 4.25Å; I591-V595 WeakPolarHBondContact O-CG2 3.32Å; I591-V595 PolarHBondContact O-N 2.99Å
592S80.5Confident77.4Confident0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-57.3-35.7176.3-170.10000112.9V579 G588 L596V579-S592 WeakPolarHBondContact CG1-OG 3.27Å; G588-S592 VanDerWaalsContact O-CB 3.27Å; G588-S592 WeakPolarHBondContact O-CB 3.44Å; G588-S592 PolarHBondContact O-N 3.1Å; S592-L596 WeakPolarHBondContact O-CB 3.45Å; S592-L596 PolarHBondContact O-N 3.17Å
593L86Confident78.1Confident39 Ų3958.6 Ų58.620%0.20430%0.301CS..Hα-helixtrans-66.6-45.1175.9175.963.2000111.9Y580 R589 K590 I591 V595 L596 Q597 V661Y580-L593 HydrophobicContact CD2-CD1 4.25Å; Y580-L593 HydrophobicContact CE2-CD1 3.75Å; R589-L593 VanDerWaalsContact O-CB 3.29Å; R589-L593 WeakPolarHBondContact O-CB 3.45Å; R589-L593 PolarHBondContact O-N 3.5Å; K590-L593 PolarHBondContact O-N 3.28Å; I591-L593 PolarHBondContact O-N 3.3Å; L593-V595 VanDerWaalsContact C-N 3.34Å; L593-L596 PolarHBondContact O-N 2.75Å; L593-Q597 HydrophobicContact CD1-CG 4.4Å; L593-Q597 WeakPolarHBondContact O-CG 3.46Å; L593-Q597 PolarHBondContact O-N 2.93Å; L593-V661 HydrophobicContact CD1-CG2 3.55Å
594V87.3Confident79.5Confident58 Ų5858.5 Ų58.535%0.35229%0.292SS..Hα-helixtrans-66.1-39.7178.2-178.90000110.9Q540 K590 I591 Q597 A598Q540-V594 HydrophobicContact CG-CG1 4.31Å; K590-V594 PolarHBondContact O-N 3.41Å; I591-V594 PolarHBondContact O-N 2.93Å; I591-V594 VanDerWaalsContact O-N 3.12Å; V594-Q597 PolarHBondContact O-N 3.43Å; V594-A598 PolarHBondContact O-N 2.8Å; V594-A598 VanDerWaalsContact O-N 3.08Å
595V89.8Confident81.2Confident0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-61.8-45.5173.4176.20000110.7V539 Q540 I591 L593 Q597 A598 L599V539-V595 HydrophobicContact CG1-CG1 4.08Å; Q540-V595 HydrophobicContact CB-CG2 3.63Å; Q540-V595 HydrophobicContact CG-CG2 3.98Å; I591-V595 HydrophobicContact CG2-CG2 4.25Å; I591-V595 WeakPolarHBondContact O-CG2 3.32Å; I591-V595 PolarHBondContact O-N 2.99Å; L593-V595 VanDerWaalsContact C-N 3.34Å; V595-Q597 PolarHBondContact O-N 2.6Å; V595-A598 PolarHBondContact O-N 3.1Å; V595-L599 HydrophobicContact CG1-CD1 3.77Å; V595-L599 HydrophobicContact CG1-CG 4.24Å; V595-L599 WeakPolarHBondContact O-CB 3.22Å; V595-L599 VanDerWaalsContact O-CG 3.28Å; V595-L599 WeakPolarHBondContact O-CG 3.34Å; V595-L599 PolarHBondContact O-N 3.38Å
596L91.5Very high82.7Confident0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-60.4-44.7178.2178.463.3000112L573 A576 Y580 S592 L593 L599 L600 M653 V661L573-L596 HydrophobicContact CD1-CD1 3.79Å; A576-L596 HydrophobicContact CB-CD1 4.37Å; Y580-L596 HydrophobicContact CD1-CD2 3.7Å; Y580-L596 HydrophobicContact CD2-CD2 4.3Å; Y580-L596 HydrophobicContact CE1-CD2 4.26Å; Y580-L596 HydrophobicContact CG-CD2 3.71Å; S592-L596 WeakPolarHBondContact O-CB 3.45Å; S592-L596 PolarHBondContact O-N 3.17Å; L593-L596 PolarHBondContact O-N 2.75Å; L596-L599 PolarHBondContact O-N 3.44Å; L596-L600 HydrophobicContact CD1-CG 4.41Å; L596-L600 HydrophobicContact CG-CD1 4.29Å; L596-L600 WeakPolarHBondContact O-CG 3.44Å; L596-L600 PolarHBondContact O-N 3.45Å; L596-M653 HydrophobicContact CD1-CE 4.38Å; L596-M653 HydrophobicContact CD1-SD 3.81Å; L596-M653 HydrophobicContact CD2-SD 3.76Å; L596-M653 HydrophobicContact CG-SD 4.26Å; L596-V661 HydrophobicContact CD2-CG1 4.1Å
597Q91.1Very high84.1Confident52 Ų5235.8 Ų35.824%0.24319%0.19CC..Hα-helixtrans-60.4-47176.9-74.1175.6-27.400111.7L593 V594 V595 L599 L600 E601 E660 V661L593-Q597 HydrophobicContact CD1-CG 4.4Å; L593-Q597 WeakPolarHBondContact O-CG 3.46Å; L593-Q597 PolarHBondContact O-N 2.93Å; V594-Q597 PolarHBondContact O-N 3.43Å; V595-Q597 PolarHBondContact O-N 2.6Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.28Å; Q597-L600 PolarHBondContact O-N 3.44Å; Q597-E601 PolarHBondContact O-N 3.17Å; Q597-E660 PolarHBondContact NE2-OE2 3.49Å; Q597-V661 HydrophobicContact CG-CG2 4.35Å
598A90.8Very high85.7Confident9 Ų938 Ų387%0.07419%0.185CC..Hα-helixtrans-64.2-38.6177.200000112V543 V544 C547 V594 V595 E601 L602V543-A598 HydrophobicContact CG1-CB 3.59Å; V544-A598 HydrophobicContact CG2-CB 4.28Å; C547-A598 PolarHBondContact SG-O 3.32Å; V594-A598 PolarHBondContact O-N 2.8Å; V594-A598 VanDerWaalsContact O-N 3.08Å; V595-A598 PolarHBondContact O-N 3.1Å; A598-E601 PolarHBondContact O-N 3.43Å; A598-L602 WeakPolarHBondContact O-CB 3.41Å; A598-L602 PolarHBondContact O-N 3.27Å
599L92.9Very high86.9Confident2 Ų239.1 Ų39.11%0.0118%0.183CC..Hα-helixtrans-66.1-37.1175.2-72.5169.1000112.5V543 L569 T572 L573 A576 V595 L596 Q597 L602 L603V543-L599 HydrophobicContact CB-CD2 4.4Å; V543-L599 HydrophobicContact CG1-CD2 3.71Å; V543-L599 HydrophobicContact CG1-CG 3.81Å; V543-L599 HydrophobicContact CG2-CD2 3.7Å; V543-L599 HydrophobicContact CG2-CG 4.15Å; L569-L599 HydrophobicContact CD2-CD2 4.08Å; T572-L599 HydrophobicContact CG2-CD1 3.87Å; T572-L599 HydrophobicContact CG2-CD2 4.32Å; L573-L599 HydrophobicContact CB-CD1 4.4Å; L573-L599 HydrophobicContact CD1-CB 3.44Å; L573-L599 VanDerWaalsContact CD1-CB 3.44Å; L573-L599 HydrophobicContact CD1-CD1 4.23Å; L573-L599 HydrophobicContact CD1-CG 4.44Å; A576-L599 HydrophobicContact CB-CD1 4Å; V595-L599 HydrophobicContact CG1-CD1 3.77Å; V595-L599 HydrophobicContact CG1-CG 4.24Å; V595-L599 WeakPolarHBondContact O-CB 3.22Å; V595-L599 VanDerWaalsContact O-CG 3.28Å; V595-L599 WeakPolarHBondContact O-CG 3.34Å; V595-L599 PolarHBondContact O-N 3.38Å; L596-L599 PolarHBondContact O-N 3.44Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.28Å; L599-L602 PolarHBondContact O-N 2.96Å; L599-L603 VanDerWaalsContact O-CB 3.3Å; L599-L603 WeakPolarHBondContact O-CB 3.37Å; L599-L603 PolarHBondContact O-N 3.13Å
600L93.1Very high87.6Confident1 Ų134.5 Ų34.51%0.00517%0.166CC..Hα-helixtrans-65.6-43.1174.6-74.3172.8000111.3L573 L596 Q597 L603 H604 L650 M653 V661 E664 C668L573-L600 HydrophobicContact CD1-CD2 4.25Å; L573-L600 HydrophobicContact CD1-CG 4.37Å; L596-L600 HydrophobicContact CD1-CG 4.41Å; L596-L600 HydrophobicContact CG-CD1 4.29Å; L596-L600 WeakPolarHBondContact O-CG 3.44Å; L596-L600 PolarHBondContact O-N 3.45Å; Q597-L600 PolarHBondContact O-N 3.44Å; L600-L603 PolarHBondContact O-N 3.13Å; L600-H604 WeakPolarHBondContact O-CB 3.27Å; L600-H604 PolarHBondContact O-N 2.96Å; L600-L650 HydrophobicContact CD2-CD2 3.49Å; L600-L650 VanDerWaalsContact CD2-CD2 3.49Å; L600-M653 HydrophobicContact CD2-CE 4.11Å; L600-V661 HydrophobicContact CD1-CG1 4.17Å; L600-E664 HydrophobicContact CB-CB 4.1Å; L600-E664 HydrophobicContact CD1-CB 4.3Å; L600-C668 PolarHBondContact O-SG 3.44Å; L600-C668 VanDerWaalsContact O-SG 3.39Å
601E91.8Very high88.1Confident100 Ų10028.3 Ų28.347%0.46714%0.143SC..Hα-helixtrans-61.8-45.4174.3-174.8-175.9174.800111.5Q597 A598 L603 H604 N605Q597-E601 PolarHBondContact O-N 3.17Å; A598-E601 PolarHBondContact O-N 3.43Å; E601-L603 PolarHBondContact O-N 3.32Å; E601-H604 WeakPolarHBondContact O-CB 3.48Å; E601-H604 PolarHBondContact O-N 2.91Å; E601-N605 WeakPolarHBondContact O-CB 3.47Å; E601-N605 VanDerWaalsContact O-CG 3.3Å; E601-N605 PolarHBondContact O-N 3.2Å; E601-N605 PolarHBondContact O-ND2 3.05Å
602L91.1Very high88.7Confident1 Ų126.5 Ų26.51%0.00514%0.139CC..Hα-helixtrans-60.4-45.6176.3-178.357.7000111.6L546 L569 A598 L599 H604 N605 V606L546-L602 HydrophobicContact CB-CD1 4.07Å; L546-L602 HydrophobicContact CB-CD2 3.54Å; L546-L602 HydrophobicContact CB-CG 4.47Å; L546-L602 HydrophobicContact CD1-CD2 3.9Å; L546-L602 HydrophobicContact CG-CD2 4.39Å; L546-L602 WeakPolarHBondContact O-CD1 3.49Å; L569-L602 HydrophobicContact CD1-CG 4.34Å; L569-L602 HydrophobicContact CD2-CB 4.31Å; L569-L602 HydrophobicContact CD2-CD2 3.55Å; L569-L602 HydrophobicContact CD2-CG 3.82Å; L569-L602 HydrophobicContact CG-CD2 4.23Å; A598-L602 WeakPolarHBondContact O-CB 3.41Å; A598-L602 PolarHBondContact O-N 3.27Å; L599-L602 PolarHBondContact O-N 2.96Å; L602-H604 VanDerWaalsContact C-N 3.35Å; L602-N605 PolarHBondContact O-N 3.14Å; L602-V606 HydrophobicContact CD1-CG2 4.43Å; L602-V606 WeakPolarHBondContact O-CG2 3.47Å; L602-V606 PolarHBondContact O-N 3.39Å
603L92Very high88.8Confident0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-59.2-47.3175177.263.1000110.6L573 L599 L600 E601 N605 V606 L607 L643 L646 L650 C668L573-L603 HydrophobicContact CD2-CD2 4Å; L599-L603 VanDerWaalsContact O-CB 3.3Å; L599-L603 WeakPolarHBondContact O-CB 3.37Å; L599-L603 PolarHBondContact O-N 3.13Å; L600-L603 PolarHBondContact O-N 3.13Å; E601-L603 PolarHBondContact O-N 3.32Å; L603-N605 VanDerWaalsContact C-N 3.33Å; L603-N605 PolarHBondContact O-N 2.85Å; L603-V606 PolarHBondContact O-N 3.42Å; L603-L607 HydrophobicContact CD1-CD1 3.79Å; L603-L607 HydrophobicContact CD1-CG 3.98Å; L603-L607 HydrophobicContact CD2-CD1 4.41Å; L603-L607 HydrophobicContact CG-CD1 3.71Å; L603-L607 HydrophobicContact CG-CG 4.32Å; L603-L607 WeakPolarHBondContact O-CB 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.43Å; L603-L607 PolarHBondContact O-N 3.07Å; L603-L643 HydrophobicContact CD1-CD1 4.2Å; L603-L643 HydrophobicContact CD1-CD2 4.06Å; L603-L646 HydrophobicContact CD1-CD1 4.2Å; L603-L646 HydrophobicContact CD2-CD1 4.23Å; L603-L650 HydrophobicContact CD2-CD1 4.12Å; L603-L650 HydrophobicContact CD2-CD2 4.3Å; L603-C668 HydrophobicContact CD2-CB 3.87Å; L603-C668 HydrophobicContact CG-CB 4.27Å
604H91.3Very high88.7Confident30 Ų3028.4 Ų28.414%0.13915%0.152CC..Hα-helixtrans-56.8-47.1176.9-173.493.9000111.3L600 E601 L602 L607 K608 E664 Q667L600-H604 WeakPolarHBondContact O-CB 3.27Å; L600-H604 PolarHBondContact O-N 2.96Å; E601-H604 WeakPolarHBondContact O-CB 3.48Å; E601-H604 PolarHBondContact O-N 2.91Å; L602-H604 VanDerWaalsContact C-N 3.35Å; H604-L607 PolarHBondContact O-N 3.28Å; H604-K608 WeakPolarHBondContact O-CB 3.46Å; H604-K608 PolarHBondContact O-N 2.64Å; H604-E664 IonicContact ND1-OE2 3.56Å; H604-Q667 PolarHBondContact CE1-OE1 3.12Å
605N88.4Confident88.5Confident31 Ų3131.6 Ų31.617%0.16616%0.158CC..Hα-helixtrans-62-45.6179.7-72.8-22.4000112S550 E601 L602 L603 K608 Q609S550-N605 WeakPolarHBondContact OG-CB 3.42Å; S550-N605 PolarHBondContact OG-ND2 3.39Å; E601-N605 WeakPolarHBondContact O-CB 3.47Å; E601-N605 VanDerWaalsContact O-CG 3.3Å; E601-N605 PolarHBondContact O-N 3.2Å; E601-N605 PolarHBondContact O-ND2 3.05Å; L602-N605 PolarHBondContact O-N 3.14Å; L603-N605 VanDerWaalsContact C-N 3.33Å; L603-N605 PolarHBondContact O-N 2.85Å; N605-K608 PolarHBondContact O-N 2.85Å; N605-Q609 WeakPolarHBondContact O-CB 3.5Å; N605-Q609 VanDerWaalsContact O-CG 3.29Å; N605-Q609 WeakPolarHBondContact O-CG 3.37Å; N605-Q609 PolarHBondContact O-N 3.48Å
606V87.6Confident88.1Confident3 Ų335.1 Ų35.12%0.01818%0.179CC..Hα-helixtrans-62.8-43.6177172.60000111.3L565 L569 L602 L603 Q609 T610 L643L565-V606 HydrophobicContact CD2-CG2 4.31Å; L569-V606 HydrophobicContact CD1-CG2 4.16Å; L602-V606 HydrophobicContact CD1-CG2 4.43Å; L602-V606 WeakPolarHBondContact O-CG2 3.47Å; L602-V606 PolarHBondContact O-N 3.39Å; L603-V606 PolarHBondContact O-N 3.42Å; V606-Q609 PolarHBondContact O-N 3Å; V606-T610 WeakPolarHBondContact O-CB 3.38Å; V606-T610 PolarHBondContact O-N 3.36Å; V606-T610 PolarHBondContact O-OG1 3.35Å; V606-L643 HydrophobicContact CG1-CD1 4.1Å
607L89.1Confident87.6Confident0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-68.1-39.4178.6-68.5170.8000112.3L603 H604 T610 S611 L643 C668 L671 L672 L675L603-L607 HydrophobicContact CD1-CD1 3.79Å; L603-L607 HydrophobicContact CD1-CG 3.98Å; L603-L607 HydrophobicContact CD2-CD1 4.41Å; L603-L607 HydrophobicContact CG-CD1 3.71Å; L603-L607 HydrophobicContact CG-CG 4.32Å; L603-L607 WeakPolarHBondContact O-CB 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.43Å; L603-L607 PolarHBondContact O-N 3.07Å; H604-L607 PolarHBondContact O-N 3.28Å; L607-T610 PolarHBondContact O-N 3.16Å; L607-S611 VanDerWaalsContact O-CB 3.26Å; L607-S611 WeakPolarHBondContact O-CB 3.36Å; L607-S611 PolarHBondContact O-N 3.39Å; L607-L643 HydrophobicContact CD2-CD1 4.16Å; L607-C668 HydrophobicContact CD1-CB 4.2Å; L607-C668 WeakPolarHBondContact CD1-O 3.37Å; L607-L671 HydrophobicContact CB-CB 3.9Å; L607-L671 HydrophobicContact CB-CD1 3.86Å; L607-L671 HydrophobicContact CD1-CB 4.18Å; L607-L672 HydrophobicContact CD1-CD1 4.28Å; L607-L672 HydrophobicContact CD1-CD2 4.18Å; L607-L672 HydrophobicContact CD1-CG 3.68Å; L607-L672 HydrophobicContact CD2-CD2 3.5Å; L607-L672 VanDerWaalsContact CD2-CD2 3.5Å; L607-L672 HydrophobicContact CD2-CG 3.89Å; L607-L672 HydrophobicContact CG-CD2 4.46Å; L607-L672 HydrophobicContact CG-CG 4.45Å; L607-L675 HydrophobicContact CD2-CD1 4.12Å
608K88.5Confident87Confident129 Ų12937.4 Ų37.456%0.56119%0.194SC*.Hα-helixtrans-64.5-42176.4-175.7178.5179.2-178.90111.2H604 N605 G612 L671H604-K608 WeakPolarHBondContact O-CB 3.46Å; H604-K608 PolarHBondContact O-N 2.64Å; N605-K608 PolarHBondContact O-N 2.85Å; K608-G612 PolarHBondContact O-N 3.41Å; K608-L671 HydrophobicContact CB-CD1 4.43Å
609Q83.8Confident86.3Confident46 Ų4641.6 Ų41.622%0.21521%0.212CC..Hα-helixtrans-62.7-48.1173-74.9178.2-4.100111.6S550 N605 V606 S611 G612 V613S550-Q609 PolarHBondContact O-NE2 3.27Å; N605-Q609 WeakPolarHBondContact O-CB 3.5Å; N605-Q609 VanDerWaalsContact O-CG 3.29Å; N605-Q609 WeakPolarHBondContact O-CG 3.37Å; N605-Q609 PolarHBondContact O-N 3.48Å; V606-Q609 PolarHBondContact O-N 3Å; Q609-S611 PolarHBondContact O-N 3.17Å; Q609-G612 PolarHBondContact O-N 2.99Å; Q609-V613 WeakPolarHBondContact O-CG2 3.47Å; Q609-V613 PolarHBondContact O-N 3.4Å
610T85.1Confident85.2Confident2 Ų242.7 Ų42.71%0.01222%0.22CC..Hα-helixtrans-56.4-50.7177-58.30000111.2V606 L607 G612 V613 V614 L636 L637 N640 L675V606-T610 WeakPolarHBondContact O-CB 3.38Å; V606-T610 PolarHBondContact O-N 3.36Å; V606-T610 PolarHBondContact O-OG1 3.35Å; L607-T610 PolarHBondContact O-N 3.16Å; T610-G612 VanDerWaalsContact C-N 3.32Å; T610-G612 PolarHBondContact O-N 3.26Å; T610-V613 PolarHBondContact O-N 3.2Å; T610-V614 HydrophobicContact CG2-CG2 4.46Å; T610-V614 VanDerWaalsContact O-CG2 3.28Å; T610-V614 WeakPolarHBondContact O-CG2 3.48Å; T610-V614 PolarHBondContact O-N 3.2Å; T610-L636 HydrophobicContact CG2-CD2 3.41Å; T610-L636 VanDerWaalsContact CG2-CD2 3.41Å; T610-L636 WeakPolarHBondContact OG1-CD2 3.21Å; T610-L637 HydrophobicContact CG2-CD2 4.1Å; T610-N640 PolarHBondContact OG1-ND2 2.93Å; T610-L675 HydrophobicContact CG2-CD1 3.77Å; T610-L675 HydrophobicContact CG2-CD2 4.28Å
611S86.6Confident83.6Confident29 Ų2948 Ų4820%0.20324%0.244CC..Hα-helixtrans-61.3-39.3177.1-178.90000112.4L607 Q609 R615L607-S611 VanDerWaalsContact O-CB 3.26Å; L607-S611 WeakPolarHBondContact O-CB 3.36Å; L607-S611 PolarHBondContact O-N 3.39Å; Q609-S611 PolarHBondContact O-N 3.17Å; S611-R615 WeakPolarHBondContact O-CB 3.47Å; S611-R615 PolarHBondContact O-N 3.26Å
612G84.8Confident82.1Confident24 Ų2453.6 Ų53.625%0.24726%0.261CS..Hα-helixtrans-57.9-51.917300000112.6K608 Q609 T610 R615 T616K608-G612 PolarHBondContact O-N 3.41Å; Q609-G612 PolarHBondContact O-N 2.99Å; T610-G612 VanDerWaalsContact C-N 3.32Å; T610-G612 PolarHBondContact O-N 3.26Å; G612-R615 PolarHBondContact O-N 3.2Å; G612-T616 WeakPolarHBondContact O-CG2 3.16Å; G612-T616 PolarHBondContact O-N 3.42Å; G612-T616 PolarHBondContact O-OG1 2.92Å; G612-T616 VanDerWaalsContact O-OG1 3.14Å
613V81.9Confident80.4Confident56 Ų5660.5 Ų60.534%0.33930%0.297SS..Hα-helixtrans-62.2-46.8179.7174.20000111.3Q609 T610 R615 T616 A617 A633Q609-V613 WeakPolarHBondContact O-CG2 3.47Å; Q609-V613 PolarHBondContact O-N 3.4Å; T610-V613 PolarHBondContact O-N 3.2Å; V613-R615 PolarHBondContact O-N 2.95Å; V613-T616 WeakPolarHBondContact CA-OG1 3.37Å; V613-T616 PolarHBondContact O-N 3.36Å; V613-T616 PolarHBondContact O-OG1 3.34Å; V613-A617 PolarHBondContact O-N 2.96Å; V613-A633 HydrophobicContact CG1-CB 4.17Å
614V83.8Confident78.7Confident23 Ų2366 Ų6614%0.13934%0.336CS..Hα-helixtrans-62.6-44.1178173.10000110.8T610 T616 A617 L618 L637 L675T610-V614 HydrophobicContact CG2-CG2 4.46Å; T610-V614 VanDerWaalsContact O-CG2 3.28Å; T610-V614 WeakPolarHBondContact O-CG2 3.48Å; T610-V614 PolarHBondContact O-N 3.2Å; V614-T616 VanDerWaalsContact C-N 3.35Å; V614-T616 PolarHBondContact O-N 3.32Å; V614-A617 PolarHBondContact O-N 3.19Å; V614-L618 HydrophobicContact CG1-CD1 3.85Å; V614-L618 HydrophobicContact CG1-CG 4.32Å; V614-L618 WeakPolarHBondContact O-CB 3.05Å; V614-L618 VanDerWaalsContact O-CG 3.29Å; V614-L618 WeakPolarHBondContact O-CG 3.25Å; V614-L618 PolarHBondContact O-N 2.88Å; V614-L637 HydrophobicContact CG2-CD1 3.86Å; V614-L637 HydrophobicContact CG2-CD2 3.88Å; V614-L637 HydrophobicContact CG2-CG 3.74Å; V614-L675 HydrophobicContact CB-CD2 4.5Å; V614-L675 HydrophobicContact CG2-CD2 4.39Å
615R83.8Confident76.7Confident126 Ų12667.1 Ų67.148%0.47535%0.347SS..Hα-helixtrans-63.2-40.6177.1-173.6-178.560.373.3-1.1111.7S611 G612 V613 L618 Q619S611-R615 WeakPolarHBondContact O-CB 3.47Å; S611-R615 PolarHBondContact O-N 3.26Å; G612-R615 PolarHBondContact O-N 3.2Å; V613-R615 PolarHBondContact O-N 2.95Å; R615-L618 PolarHBondContact O-N 3.23Å; R615-Q619 HydrophobicContact CG-CG 4.48Å; R615-Q619 VanDerWaalsContact NH1-NE2 3.13Å; R615-Q619 WeakPolarHBondContact O-CB 3.3Å; R615-Q619 VanDerWaalsContact O-CG 3.22Å; R615-Q619 WeakPolarHBondContact O-CG 3.38Å; R615-Q619 PolarHBondContact O-N 3.44Å
616T81.1Confident75.4Confident73 Ų7368.6 Ų68.645%0.44836%0.359SS..Hα-helixtrans-64.3-42.3175.748.20000111.9G612 V613 V614 Q619 S620G612-T616 WeakPolarHBondContact O-CG2 3.16Å; G612-T616 PolarHBondContact O-N 3.42Å; G612-T616 PolarHBondContact O-OG1 2.92Å; G612-T616 VanDerWaalsContact O-OG1 3.14Å; V613-T616 WeakPolarHBondContact CA-OG1 3.37Å; V613-T616 PolarHBondContact O-N 3.36Å; V613-T616 PolarHBondContact O-OG1 3.34Å; V614-T616 VanDerWaalsContact C-N 3.35Å; V614-T616 PolarHBondContact O-N 3.32Å; T616-Q619 PolarHBondContact O-N 2.89Å; T616-S620 PolarHBondContact O-N 3.32Å; T616-S620 PolarHBondContact O-OG 3.4Å
617A80.2Confident74.4Confident6 Ų672 Ų725%0.0539%0.388CS..Hα-helixtrans-65.1-40.3176.200000112.4V613 V614 Q619 S620 Q621 A633V613-A617 PolarHBondContact O-N 2.96Å; V614-A617 PolarHBondContact O-N 3.19Å; A617-Q619 VanDerWaalsContact C-N 3.32Å; A617-Q619 PolarHBondContact O-N 3.3Å; A617-S620 PolarHBondContact O-N 2.94Å; A617-S620 PolarHBondContact O-OG 3.37Å; A617-Q621 WeakPolarHBondContact O-CG 3.44Å; A617-Q621 PolarHBondContact O-N 3.41Å; A617-A633 HydrophobicContact CB-CB 3.75Å
618L79.1Confident73.6Confident95 Ų9575.1 Ų75.150%0.49741%0.414SS..Hα-helixtrans-68.7-29.7175.7-70.6172.7000112.8V614 R615V614-L618 HydrophobicContact CG1-CD1 3.85Å; V614-L618 HydrophobicContact CG1-CG 4.32Å; V614-L618 WeakPolarHBondContact O-CB 3.05Å; V614-L618 VanDerWaalsContact O-CG 3.29Å; V614-L618 WeakPolarHBondContact O-CG 3.25Å; V614-L618 PolarHBondContact O-N 2.88Å; R615-L618 PolarHBondContact O-N 3.23Å
619Q77.2Confident72.8Confident96 Ų9673.8 Ų73.845%0.44941%0.409SS..Hα-helixtrans-77.4-38.8175.2-74.9176.5-11.500111.9R615 T616 A617 R622R615-Q619 HydrophobicContact CG-CG 4.48Å; R615-Q619 VanDerWaalsContact NH1-NE2 3.13Å; R615-Q619 WeakPolarHBondContact O-CB 3.3Å; R615-Q619 VanDerWaalsContact O-CG 3.22Å; R615-Q619 WeakPolarHBondContact O-CG 3.38Å; R615-Q619 PolarHBondContact O-N 3.44Å; T616-Q619 PolarHBondContact O-N 2.89Å; A617-Q619 VanDerWaalsContact C-N 3.32Å; A617-Q619 PolarHBondContact O-N 3.3Å; Q619-R622 PolarHBondContact O-N 3.39Å
620S67.9Low72.4Confident25 Ų2573.2 Ų73.218%0.17541%0.409CS..Hα-helixtrans-70.9-28.8176.5610000112.9T616 A617 R622 L623 S624 C625 E629T616-S620 PolarHBondContact O-N 3.32Å; T616-S620 PolarHBondContact O-OG 3.4Å; A617-S620 PolarHBondContact O-N 2.94Å; A617-S620 PolarHBondContact O-OG 3.37Å; S620-R622 PolarHBondContact O-N 2.87Å; S620-L623 PolarHBondContact O-N 2.93Å; S620-L623 VanDerWaalsContact O-N 3.1Å; S620-S624 CarbonylContact O-C 3.6Å; S620-S624 PolarHBondContact O-N 3.25Å; S620-C625 PolarHBondContact OG-SG 3.47Å; S620-E629 PolarHBondContact OG-OE2 3.32Å; S620-E629 VanDerWaalsContact OG-OE2 3.1Å
621Q60.5Low72.2Confident112 Ų11277.8 Ų77.852%0.52343%0.43SS..THydrogen-bonded Turntrans-55.8-29.4168.4-84.4-176.8-6.200113.8A617 T630A617-Q621 WeakPolarHBondContact O-CG 3.44Å; A617-Q621 PolarHBondContact O-N 3.41Å; Q621-T630 HydrophobicContact CG-CG2 3.7Å; Q621-T630 VanDerWaalsContact NE2-CG2 3.33Å
622R59.7Low71.7Confident219 Ų21978.2 Ų78.283%0.82644%0.436SS*.THydrogen-bonded Turntrans-81.2-13.4-179.8-65.3-178.1-178.3-177.2-0.5113.9Q619 S620Q619-R622 PolarHBondContact O-N 3.39Å; S620-R622 PolarHBondContact O-N 2.87Å
623L56.8Low71.6Confident145 Ų14577.3 Ų77.376%0.75943%0.426SS*.THydrogen-bonded Turntrans-123.510.4-168.4-75.6160.1000114.7S620S620-L623 PolarHBondContact O-N 2.93Å; S620-L623 VanDerWaalsContact O-N 3.1Å
624S55.9Low71.6Confident117 Ų11781 Ų8182%0.81844%0.439SS*.  trans88.8110.5-168.773.20000113.4S620S620-S624 CarbonylContact O-C 3.6Å; S620-S624 PolarHBondContact O-N 3.25Å
625C49.6Very low71.6Confident53 Ų5385.3 Ų85.336%0.35846%0.456SS..  trans-101.3143.3-165.3-145.60000112.2S620S620-C625 PolarHBondContact OG-SG 3.47Å
626S59.9Low71.6Confident61 Ų6180.8 Ų80.843%0.42744%0.441SS..  trans-79.3128.2155.889.70000108.2A628 E629S626-A628 PolarHBondContact O-N 3.01Å; S626-A628 VanDerWaalsContact O-N 3.09Å; S626-E629 PolarHBondContact O-N 2.96Å
627A67.9Low71.8Confident75 Ų7579.5 Ų79.562%0.6243%0.431SS*.Hα-helixtrans-59.2-22.7-178.600000113.3T630 E631A627-T630 PolarHBondContact O-OG1 3.12Å; A627-E631 WeakPolarHBondContact O-CB 3.2Å; A627-E631 PolarHBondContact O-N 2.86Å; A627-E631 VanDerWaalsContact O-N 3.14Å
628A70.9Confident72Confident66 Ų6683.9 Ų83.955%0.54546%0.457SS..Hα-helixtrans-67.4-35.6-179.400000113.4S626 A632S626-A628 PolarHBondContact O-N 3.01Å; S626-A628 VanDerWaalsContact O-N 3.09Å; A628-A632 VanDerWaalsContact O-CB 3.3Å; A628-A632 WeakPolarHBondContact O-CB 3.23Å; A628-A632 PolarHBondContact O-N 3.44Å
629E71.3Confident72.2Confident100 Ų10081 Ų8147%0.46745%0.448SS..Hα-helixtrans-71.6-39.3-179.8-72.3178.1173.700112.2S620 S626 A633S620-E629 PolarHBondContact OG-OE2 3.32Å; S620-E629 VanDerWaalsContact OG-OE2 3.1Å; S626-E629 PolarHBondContact O-N 2.96Å; E629-A633 PolarHBondContact O-N 3.14Å; E629-A633 VanDerWaalsContact O-N 3.08Å
630T76.8Confident72.7Confident35 Ų3576.5 Ų76.522%0.21543%0.426CS..Hα-helixtrans-68.6-41.5176.544.90000111.7Q621 A627 A633 E634Q621-T630 HydrophobicContact CG-CG2 3.7Å; Q621-T630 VanDerWaalsContact NE2-CG2 3.33Å; A627-T630 PolarHBondContact O-OG1 3.12Å; T630-A633 PolarHBondContact O-N 2.66Å; T630-E634 PolarHBondContact O-N 3.21Å
631E79.9Confident73.6Confident98 Ų9881.6 Ų81.646%0.45844%0.442SS..Hα-helixtrans-65.6-38.9176.5-171-173.616200111.6A627 E634 K635A627-E631 WeakPolarHBondContact O-CB 3.2Å; A627-E631 PolarHBondContact O-N 2.86Å; A627-E631 VanDerWaalsContact O-N 3.14Å; E631-E634 PolarHBondContact O-N 3.09Å; E631-K635 HydrophobicContact CG-CD 4.46Å; E631-K635 WeakPolarHBondContact O-CB 3.2Å; E631-K635 WeakPolarHBondContact O-CG 3.23Å; E631-K635 PolarHBondContact O-N 3.25Å; E631-K635 WeakPolarHBondContact OE1-CE 3.27Å; E631-K635 IonicContact OE1-NZ 3.73Å; E631-K635 PolarHBondContact OE1-NZ 3.26Å
632A77.3Confident75Confident38 Ų3878.7 Ų78.731%0.31443%0.432SS..Hα-helixtrans-65.3-40.517600000112.5A628 L636A628-A632 VanDerWaalsContact O-CB 3.3Å; A628-A632 WeakPolarHBondContact O-CB 3.23Å; A628-A632 PolarHBondContact O-N 3.44Å; A632-L636 WeakPolarHBondContact O-CB 3.27Å; A632-L636 PolarHBondContact O-N 3.41Å; A632-L636 VanDerWaalsContact O-N 3.08Å
633A81.6Confident76.5Confident5 Ų568.2 Ų68.24%0.04139%0.393CS..Hα-helixtrans-66.1-41.1176.500000112.2V613 A617 E629 T630 L636 L637V613-A633 HydrophobicContact CG1-CB 4.17Å; A617-A633 HydrophobicContact CB-CB 3.75Å; E629-A633 PolarHBondContact O-N 3.14Å; E629-A633 VanDerWaalsContact O-N 3.08Å; T630-A633 PolarHBondContact O-N 2.66Å; A633-L636 PolarHBondContact O-N 3.03Å; A633-L637 WeakPolarHBondContact O-CG 3.29Å; A633-L637 PolarHBondContact O-N 2.83Å
634E83.2Confident77.9Confident132 Ų13261.8 Ų61.862%0.61736%0.36SS*.Hα-helixtrans-64.9-46.4176.4-172.8176.6-176.900111.8T630 E631 L636 L637 V638T630-E634 PolarHBondContact O-N 3.21Å; E631-E634 PolarHBondContact O-N 3.09Å; E634-L636 VanDerWaalsContact C-N 3.26Å; E634-L636 PolarHBondContact O-N 3.29Å; E634-L637 WeakPolarHBondContact O-CB 3.46Å; E634-L637 PolarHBondContact O-N 3.28Å; E634-V638 WeakPolarHBondContact O-CG2 3.25Å; E634-V638 PolarHBondContact O-N 3.43Å
635K82.9Confident79.5Confident115 Ų11560.6 Ų60.650%0.534%0.342SS..Hα-helixtrans-57.9-39.8175.1-75.6177.5-175.8169.30112.2E631 V638 A639E631-K635 HydrophobicContact CG-CD 4.46Å; E631-K635 WeakPolarHBondContact O-CB 3.2Å; E631-K635 WeakPolarHBondContact O-CG 3.23Å; E631-K635 PolarHBondContact O-N 3.25Å; E631-K635 WeakPolarHBondContact OE1-CE 3.27Å; E631-K635 IonicContact OE1-NZ 3.73Å; E631-K635 PolarHBondContact OE1-NZ 3.26Å; K635-V638 PolarHBondContact O-N 3.39Å; K635-A639 WeakPolarHBondContact O-CB 3.33Å; K635-A639 PolarHBondContact O-N 3.07Å
636L83.2Confident81.4Confident31 Ų3158.1 Ų58.116%0.16233%0.325CS..Hα-helixtrans-69.1-40.9178.2-169.4151.9000111.7T610 A632 A633 E634 V638 A639 N640T610-L636 HydrophobicContact CG2-CD2 3.41Å; T610-L636 VanDerWaalsContact CG2-CD2 3.41Å; T610-L636 WeakPolarHBondContact OG1-CD2 3.21Å; A632-L636 WeakPolarHBondContact O-CB 3.27Å; A632-L636 PolarHBondContact O-N 3.41Å; A632-L636 VanDerWaalsContact O-N 3.08Å; A633-L636 PolarHBondContact O-N 3.03Å; E634-L636 VanDerWaalsContact C-N 3.26Å; E634-L636 PolarHBondContact O-N 3.29Å; L636-V638 PolarHBondContact O-N 3.42Å; L636-A639 PolarHBondContact O-N 3.24Å; L636-N640 WeakPolarHBondContact CD2-ND2 3.46Å; L636-N640 WeakPolarHBondContact O-CB 3.35Å; L636-N640 PolarHBondContact O-N 3.37Å
637L84.9Confident82.8Confident45 Ų4555.4 Ų55.424%0.23631%0.306CS..Hα-helixtrans-59.4-45.9173.2-80.9172.8000111.5T610 V614 A633 E634 N640 R641 L675 Y676T610-L637 HydrophobicContact CG2-CD2 4.1Å; V614-L637 HydrophobicContact CG2-CD1 3.86Å; V614-L637 HydrophobicContact CG2-CD2 3.88Å; V614-L637 HydrophobicContact CG2-CG 3.74Å; A633-L637 WeakPolarHBondContact O-CG 3.29Å; A633-L637 PolarHBondContact O-N 2.83Å; E634-L637 WeakPolarHBondContact O-CB 3.46Å; E634-L637 PolarHBondContact O-N 3.28Å; L637-N640 PolarHBondContact O-N 2.69Å; L637-R641 PolarHBondContact O-N 3.28Å; L637-L675 HydrophobicContact CD2-CB 4.42Å; L637-L675 HydrophobicContact CD2-CD2 4.19Å; L637-Y676 HydrophobicContact CD2-CE1 3.99Å; L637-Y676 VanDerWaalsContact O-CE1 3.28Å; L637-Y676 WeakPolarHBondContact O-CE1 3.27Å; L637-Y676 PolarHBondContact O-OH 3.03Å
638V85.7Confident83.8Confident98 Ų9852.4 Ų52.459%0.59428%0.28SS*.Hα-helixtrans-62.4-44.4177.9173.70000111.2E634 K635 L636 N640 R641E634-V638 WeakPolarHBondContact O-CG2 3.25Å; E634-V638 PolarHBondContact O-N 3.43Å; K635-V638 PolarHBondContact O-N 3.39Å; L636-V638 PolarHBondContact O-N 3.42Å; V638-N640 VanDerWaalsContact C-N 3.34Å; V638-N640 PolarHBondContact O-N 3.49Å; V638-R641 VanDerWaalsContact O-CB 3.29Å; V638-R641 WeakPolarHBondContact O-CB 3.39Å; V638-R641 PolarHBondContact O-N 2.9Å
639A83.9Confident84.7Confident36 Ų3651.1 Ų51.130%0.29826%0.262SS..Hα-helixtrans-63.2-38.617900000112.8Q562 K635 L636 P642Q562-A639 HydrophobicContact CG-CB 4.32Å; K635-A639 WeakPolarHBondContact O-CB 3.33Å; K635-A639 PolarHBondContact O-N 3.07Å; L636-A639 PolarHBondContact O-N 3.24Å; A639-P642 WeakPolarHBondContact O-CD 3.4Å
640N87.1Confident85.6Confident0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-87.8-2.4-179.3-71.6-8000113.5Q562 V566 T610 L636 L637 V638 P642 L643 Y676Q562-N640 PolarHBondContact NE2-ND2 2.91Å; Q562-N640 PolarHBondContact NE2-OD1 3.43Å; V566-N640 WeakPolarHBondContact CG2-OD1 3.38Å; T610-N640 PolarHBondContact OG1-ND2 2.93Å; L636-N640 WeakPolarHBondContact CD2-ND2 3.46Å; L636-N640 WeakPolarHBondContact O-CB 3.35Å; L636-N640 PolarHBondContact O-N 3.37Å; L637-N640 PolarHBondContact O-N 2.69Å; V638-N640 VanDerWaalsContact C-N 3.34Å; V638-N640 PolarHBondContact O-N 3.49Å; N640-P642 VanDerWaalsContact C-N 3.32Å; N640-L643 HydrophobicContact CB-CD1 4Å; N640-L643 VanDerWaalsContact O-CB 3.27Å; N640-L643 WeakPolarHBondContact O-CB 3.14Å; N640-L643 VanDerWaalsContact O-CG 3.29Å; N640-L643 WeakPolarHBondContact O-CG 3.49Å; N640-L643 PolarHBondContact O-N 2.99Å; N640-Y676 VanDerWaalsContact C-OH 3.32Å; N640-Y676 WeakPolarHBondContact CB-OH 3.35Å
641R87.4Confident86.3Confident133 Ų13344.7 Ų44.750%0.50223%0.23SC..G310 helixtrans-51.8-39.4179.7-167.5-179.9-169.6-175.94.9114.1L637 V638 L643 S644 Y676 E679L637-R641 PolarHBondContact O-N 3.28Å; V638-R641 VanDerWaalsContact O-CB 3.29Å; V638-R641 WeakPolarHBondContact O-CB 3.39Å; V638-R641 PolarHBondContact O-N 2.9Å; R641-L643 PolarHBondContact O-N 3.24Å; R641-L643 VanDerWaalsContact O-N 3.08Å; R641-S644 PolarHBondContact O-N 2.93Å; R641-S644 VanDerWaalsContact O-N 3.11Å; R641-S644 PolarHBondContact O-OG 3.07Å; R641-S644 VanDerWaalsContact O-OG 3.08Å; R641-Y676 HydrophobicContact CB-CE1 4.19Å; R641-Y676 HydrophobicContact CG-CD1 4.4Å; R641-Y676 HydrophobicContact CG-CE1 4.43Å; R641-E679 IonicContact CZ-OE2 3.75Å; R641-E679 IonicContact NE-OE2 2.74Å; R641-E679 IonicContact NH2-OE2 3.51Å; R641-E679 PolarHBondContact NH2-OE2 3.2Å
642P90Very high86.7Confident50 Ų5042.3 Ų42.333%0.32522%0.219SC..G310 helixtrans-58-22.4177.8-24.934.6000114.8V566 V570 A639 N640 S644 Q645V566-P642 HydrophobicContact CG1-CB 3.81Å; V566-P642 HydrophobicContact CG1-CG 3.97Å; V570-P642 HydrophobicContact CG2-CB 4.24Å; V570-P642 WeakPolarHBondContact CG2-O 3.39Å; A639-P642 WeakPolarHBondContact O-CD 3.4Å; N640-P642 VanDerWaalsContact C-N 3.32Å; P642-S644 PolarHBondContact O-N 3.2Å; P642-S644 VanDerWaalsContact O-N 3.13Å; P642-Q645 VanDerWaalsContact O-CB 3.3Å; P642-Q645 WeakPolarHBondContact O-CB 3.23Å; P642-Q645 VanDerWaalsContact O-CG 3.27Å; P642-Q645 WeakPolarHBondContact O-CG 3.29Å; P642-Q645 PolarHBondContact O-N 3.37Å; P642-Q645 VanDerWaalsContact O-N 3.1Å
643L89.3Confident87.3Confident0 Ų040.5 Ų40.50%020%0.204CC..G310 helixtrans-60.3-22.7176.7-61.4176.3000112.8V566 L569 V570 L603 V606 L607 N640 R641 Q645 L646 L672V566-L643 HydrophobicContact CG1-CD2 4.01Å; V566-L643 HydrophobicContact CG1-CG 4.04Å; V566-L643 HydrophobicContact CG2-CD2 4.5Å; V566-L643 HydrophobicContact CG2-CG 4.43Å; L569-L643 HydrophobicContact CB-CD2 4.14Å; L569-L643 HydrophobicContact CD1-CD2 4.39Å; V570-L643 HydrophobicContact CG2-CD2 4.04Å; L603-L643 HydrophobicContact CD1-CD1 4.2Å; L603-L643 HydrophobicContact CD1-CD2 4.06Å; V606-L643 HydrophobicContact CG1-CD1 4.1Å; L607-L643 HydrophobicContact CD2-CD1 4.16Å; N640-L643 HydrophobicContact CB-CD1 4Å; N640-L643 VanDerWaalsContact O-CB 3.27Å; N640-L643 WeakPolarHBondContact O-CB 3.14Å; N640-L643 VanDerWaalsContact O-CG 3.29Å; N640-L643 WeakPolarHBondContact O-CG 3.49Å; N640-L643 PolarHBondContact O-N 2.99Å; R641-L643 PolarHBondContact O-N 3.24Å; R641-L643 VanDerWaalsContact O-N 3.08Å; L643-Q645 PolarHBondContact O-N 2.92Å; L643-L646 HydrophobicContact CD2-CD1 4.14Å; L643-L646 VanDerWaalsContact O-CB 3.31Å; L643-L646 WeakPolarHBondContact O-CB 3.17Å; L643-L646 PolarHBondContact O-N 3.4Å; L643-L646 VanDerWaalsContact O-N 3.08Å; L643-L672 HydrophobicContact CB-CD2 3.9Å
644S87.4Confident87.6Confident10 Ų1040.4 Ų40.47%0.0720%0.203CC..G310 helixtrans-64.3-19.9177.173.10000113.4R641 P642 L646 S647 E679R641-S644 PolarHBondContact O-N 2.93Å; R641-S644 VanDerWaalsContact O-N 3.11Å; R641-S644 PolarHBondContact O-OG 3.07Å; R641-S644 VanDerWaalsContact O-OG 3.08Å; P642-S644 PolarHBondContact O-N 3.2Å; P642-S644 VanDerWaalsContact O-N 3.13Å; S644-L646 PolarHBondContact O-N 3.49Å; S644-S647 VanDerWaalsContact O-CB 3.31Å; S644-S647 WeakPolarHBondContact O-CB 3.39Å; S644-S647 PolarHBondContact O-N 3.38Å; S644-S647 PolarHBondContact O-OG 2.93Å; S644-E679 WeakPolarHBondContact CB-O 3.33Å; S644-E679 PolarHBondContact OG-O 3.15Å
645Q88.6Confident87.6Confident92 Ų9236.2 Ų36.243%0.4319%0.188SC..G310 helixtrans-64-22.3173.7-61.7174.88.400112.6V570 P642 L643 S647V570-Q645 HydrophobicContact CG1-CB 4.41Å; P642-Q645 VanDerWaalsContact O-CB 3.3Å; P642-Q645 WeakPolarHBondContact O-CB 3.23Å; P642-Q645 VanDerWaalsContact O-CG 3.27Å; P642-Q645 WeakPolarHBondContact O-CG 3.29Å; P642-Q645 PolarHBondContact O-N 3.37Å; P642-Q645 VanDerWaalsContact O-N 3.1Å; L643-Q645 PolarHBondContact O-N 2.92Å; Q645-S647 PolarHBondContact O-N 3.43Å
646L90Very high87.6Confident0 Ų032 Ų320%017%0.172CC..G310 helixtrans-76.7-11.5179.6-60.9172.2000112.9V570 L573 S574 L603 L643 S644 T648 H649 L650V570-L646 HydrophobicContact CG1-CD2 4.33Å; V570-L646 HydrophobicContact CG2-CD1 4.24Å; V570-L646 HydrophobicContact CG2-CG 4.32Å; L573-L646 HydrophobicContact CB-CD2 4.07Å; L573-L646 HydrophobicContact CD2-CB 4.12Å; L573-L646 HydrophobicContact CD2-CD1 3.66Å; L573-L646 HydrophobicContact CD2-CD2 3.81Å; L573-L646 HydrophobicContact CD2-CG 4.04Å; L573-L646 HydrophobicContact CG-CD2 4.39Å; S574-L646 WeakPolarHBondContact OG-CD2 3.49Å; L603-L646 HydrophobicContact CD1-CD1 4.2Å; L603-L646 HydrophobicContact CD2-CD1 4.23Å; L643-L646 HydrophobicContact CD2-CD1 4.14Å; L643-L646 VanDerWaalsContact O-CB 3.31Å; L643-L646 WeakPolarHBondContact O-CB 3.17Å; L643-L646 PolarHBondContact O-N 3.4Å; L643-L646 VanDerWaalsContact O-N 3.08Å; S644-L646 PolarHBondContact O-N 3.49Å; L646-T648 VanDerWaalsContact C-N 3.32Å; L646-T648 PolarHBondContact O-N 2.92Å; L646-H649 PolarHBondContact O-N 3.22Å; L646-L650 HydrophobicContact CB-CD1 4.49Å; L646-L650 WeakPolarHBondContact O-CG 3.29Å; L646-L650 PolarHBondContact O-N 2.84Å
647S89.4Confident87.3Confident4 Ų440.1 Ų40.13%0.02821%0.209CC..Hα-helixtrans-57.5-41.3-174.6-55.50000112.9S644 Q645 L650 I651 C683S644-S647 VanDerWaalsContact O-CB 3.31Å; S644-S647 WeakPolarHBondContact O-CB 3.39Å; S644-S647 PolarHBondContact O-N 3.38Å; S644-S647 PolarHBondContact O-OG 2.93Å; Q645-S647 PolarHBondContact O-N 3.43Å; S647-L650 PolarHBondContact O-N 3.38Å; S647-I651 WeakPolarHBondContact O-CD1 3.41Å; S647-I651 WeakPolarHBondContact O-CG1 3.44Å; S647-I651 PolarHBondContact O-N 2.93Å; S647-C683 WeakPolarHBondContact CB-SG 3.5Å
648T88.9Confident87.3Confident12 Ų1240 Ų407%0.07421%0.209CC..Hα-helixtrans-63.7-47178.449.30000111.9L646 L650 I651 H652 Q681L646-T648 VanDerWaalsContact C-N 3.32Å; L646-T648 PolarHBondContact O-N 2.92Å; T648-L650 PolarHBondContact O-N 3.06Å; T648-I651 PolarHBondContact O-N 3.24Å; T648-H652 PolarHBondContact O-N 3.41Å; T648-Q681 HydrophobicContact CG2-CB 3.78Å
649H90Very high87.3Confident39 Ų3940.9 Ų40.918%0.18121%0.206CC..Hα-helixtrans-60.8-44.6175.9-63.989.7000111.7A577 L646 I651 H652 M653A577-H649 HydrophobicContact CB-CB 4.02Å; L646-H649 PolarHBondContact O-N 3.22Å; H649-I651 VanDerWaalsContact C-N 3.32Å; H649-I651 PolarHBondContact O-N 3.1Å; H649-H652 PolarHBondContact O-N 3.34Å; H649-M653 WeakPolarHBondContact O-CG 3.41Å; H649-M653 PolarHBondContact O-N 3.12Å
650L90.8Very high87.5Confident0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-60.3-41.3176.4-68.3170000111.6L600 L603 L646 S647 T648 M653 L654 C668 L669 L672L600-L650 HydrophobicContact CD2-CD2 3.49Å; L600-L650 VanDerWaalsContact CD2-CD2 3.49Å; L603-L650 HydrophobicContact CD2-CD1 4.12Å; L603-L650 HydrophobicContact CD2-CD2 4.3Å; L646-L650 HydrophobicContact CB-CD1 4.49Å; L646-L650 WeakPolarHBondContact O-CG 3.29Å; L646-L650 PolarHBondContact O-N 2.84Å; S647-L650 PolarHBondContact O-N 3.38Å; T648-L650 PolarHBondContact O-N 3.06Å; L650-M653 HydrophobicContact CD2-CE 3.76Å; L650-M653 HydrophobicContact CG-CE 4.42Å; L650-M653 PolarHBondContact O-N 3.36Å; L650-L654 WeakPolarHBondContact O-CG 3.29Å; L650-L654 PolarHBondContact O-N 3.2Å; L650-C668 HydrophobicContact CD1-CB 4.09Å; L650-C668 HydrophobicContact CD2-CB 4.19Å; L650-L669 HydrophobicContact CB-CB 4.4Å; L650-L669 HydrophobicContact CB-CD1 4.45Å; L650-L669 HydrophobicContact CD1-CB 4.37Å; L650-L672 HydrophobicContact CD1-CD1 3.44Å; L650-L672 VanDerWaalsContact CD1-CD1 3.44Å
651I89.8Confident87.5Confident0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-63.5-44.5177.1-66.9161.8000110.9S647 T648 H649 M653 L654 L669 C683 C688 S691 F692S647-I651 WeakPolarHBondContact O-CD1 3.41Å; S647-I651 WeakPolarHBondContact O-CG1 3.44Å; S647-I651 PolarHBondContact O-N 2.93Å; T648-I651 PolarHBondContact O-N 3.24Å; H649-I651 VanDerWaalsContact C-N 3.32Å; H649-I651 PolarHBondContact O-N 3.1Å; I651-M653 VanDerWaalsContact C-N 3.27Å; I651-M653 PolarHBondContact O-N 2.76Å; I651-L654 VanDerWaalsContact O-CB 3.26Å; I651-L654 WeakPolarHBondContact O-CB 3.44Å; I651-L654 WeakPolarHBondContact O-CG 3.1Å; I651-L654 PolarHBondContact O-N 3.04Å; I651-L654 VanDerWaalsContact O-N 3.12Å; I651-L669 HydrophobicContact CG1-CD1 4.19Å; I651-L669 HydrophobicContact CG1-CD2 3.59Å; I651-C683 HydrophobicContact CD1-CB 4.07Å; I651-C688 HydrophobicContact CB-CB 4.46Å; I651-C688 HydrophobicContact CD1-CB 4.28Å; I651-C688 HydrophobicContact CG2-CB 3.72Å; I651-C688 WeakPolarHBondContact CG2-O 3.46Å; I651-S691 VanDerWaalsContact O-CB 3.26Å; I651-S691 WeakPolarHBondContact O-CB 3.4Å; I651-F692 HydrophobicContact CB-CZ 4.48Å; I651-F692 HydrophobicContact CD1-CE2 3.73Å; I651-F692 HydrophobicContact CD1-CZ 3.81Å; I651-F692 HydrophobicContact CG1-CE1 4.39Å; I651-F692 HydrophobicContact CG1-CE2 3.88Å; I651-F692 HydrophobicContact CG1-CZ 3.61Å; I651-F692 HydrophobicContact CG2-CD2 3.99Å; I651-F692 HydrophobicContact CG2-CE2 3.77Å; I651-F692 HydrophobicContact CG2-CG 4.46Å; I651-F692 HydrophobicContact CG2-CZ 4.05Å
652H89.3Confident87.5Confident48 Ų4839.8 Ų39.822%0.22220%0.199CC..Hα-helixtrans-63.2-33.9177.9-64.7162000112.6L581 T648 H649 L654 S655 S687L581-H652 HydrophobicContact CD1-CB 3.89Å; T648-H652 PolarHBondContact O-N 3.41Å; H649-H652 PolarHBondContact O-N 3.34Å; H652-L654 VanDerWaalsContact C-N 3.25Å; H652-L654 PolarHBondContact O-N 2.89Å; H652-S655 PolarHBondContact O-N 3.14Å; H652-S655 PolarHBondContact O-OG 3.42Å; H652-S687 PolarHBondContact NE2-OG 3.49Å
653M89.9Confident87.5Confident0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-69.8-18.2176.4-70-173.1-65.100113.9A577 L596 L600 H649 L650 I651 S655 T656 V661A577-M653 HydrophobicContact CB-CE 4.37Å; A577-M653 HydrophobicContact CB-SD 4.05Å; L596-M653 HydrophobicContact CD1-CE 4.38Å; L596-M653 HydrophobicContact CD1-SD 3.81Å; L596-M653 HydrophobicContact CD2-SD 3.76Å; L596-M653 HydrophobicContact CG-SD 4.26Å; L600-M653 HydrophobicContact CD2-CE 4.11Å; H649-M653 WeakPolarHBondContact O-CG 3.41Å; H649-M653 PolarHBondContact O-N 3.12Å; L650-M653 HydrophobicContact CD2-CE 3.76Å; L650-M653 HydrophobicContact CG-CE 4.42Å; L650-M653 PolarHBondContact O-N 3.36Å; I651-M653 VanDerWaalsContact C-N 3.27Å; I651-M653 PolarHBondContact O-N 2.76Å; M653-S655 PolarHBondContact O-N 2.67Å; M653-T656 WeakPolarHBondContact O-CB 3.27Å; M653-T656 WeakPolarHBondContact O-CG2 3.13Å; M653-T656 PolarHBondContact O-N 3.26Å; M653-T656 PolarHBondContact O-OG1 3.33Å; M653-V661 HydrophobicContact CB-CG1 4.25Å; M653-V661 HydrophobicContact SD-CG1 4.14Å
654L87.5Confident87.5Confident4 Ų443.4 Ų43.42%0.02121%0.212CC..THydrogen-bonded Turntrans-64.3-25.5175.9-59.3176.4000113.2L650 I651 H652 T656 I666 L669 F692 L695L650-L654 WeakPolarHBondContact O-CG 3.29Å; L650-L654 PolarHBondContact O-N 3.2Å; I651-L654 VanDerWaalsContact O-CB 3.26Å; I651-L654 WeakPolarHBondContact O-CB 3.44Å; I651-L654 WeakPolarHBondContact O-CG 3.1Å; I651-L654 PolarHBondContact O-N 3.04Å; I651-L654 VanDerWaalsContact O-N 3.12Å; H652-L654 VanDerWaalsContact C-N 3.25Å; H652-L654 PolarHBondContact O-N 2.89Å; L654-T656 VanDerWaalsContact C-N 3.3Å; L654-I666 HydrophobicContact CD2-CB 3.69Å; L654-I666 HydrophobicContact CD2-CG1 4.29Å; L654-L669 HydrophobicContact CD1-CD2 4.05Å; L654-F692 HydrophobicContact CD1-CD1 4.07Å; L654-F692 HydrophobicContact CD1-CE1 3.78Å; L654-L695 HydrophobicContact CB-CB 4.47Å; L654-L695 HydrophobicContact CB-CD1 4.4Å; L654-L695 HydrophobicContact CB-CD2 4.25Å; L654-L695 HydrophobicContact CD1-CD2 4.1Å
655S83.1Confident87.7Confident44 Ų4443 Ų4331%0.30821%0.209SC..THydrogen-bonded Turntrans-87.47.6179.1350000114.2H652 M653 S691H652-S655 PolarHBondContact O-N 3.14Å; H652-S655 PolarHBondContact O-OG 3.42Å; M653-S655 PolarHBondContact O-N 2.67Å; S655-S691 PolarHBondContact OG-OG 3.28Å
656T82.8Confident87.8Confident27 Ų2739 Ų3917%0.16619%0.19CC..SBendtrans-88.5155.7-174.968.60000112.4Y580 L581 M653 L654 N658Y580-T656 HydrophobicContact CE1-CG2 3.76Å; L581-T656 HydrophobicContact CD2-CG2 3.95Å; M653-T656 WeakPolarHBondContact O-CB 3.27Å; M653-T656 WeakPolarHBondContact O-CG2 3.13Å; M653-T656 PolarHBondContact O-N 3.26Å; M653-T656 PolarHBondContact O-OG1 3.33Å; L654-T656 VanDerWaalsContact C-N 3.3Å; T656-N658 VanDerWaalsContact C-N 3.32Å; T656-N658 PolarHBondContact O-N 3.13Å
657E78.4Confident88Confident201 Ų20142.6 Ų42.694%0.93921%0.208SC*.SBendtrans-74.6-19.3-177.9-64.4-178.1171.700113.8Q659E657-Q659 PolarHBondContact O-N 3.34Å
658N84.3Confident88.1Confident43 Ų4342.4 Ų42.423%0.2321%0.206CC..  trans-82114.1-175.6-172.2-28.8000111.3Y580 T656 E660 V661 W662Y580-N658 WeakPolarHBondContact OH-CB 3.5Å; T656-N658 VanDerWaalsContact C-N 3.32Å; T656-N658 PolarHBondContact O-N 3.13Å; N658-E660 PolarHBondContact O-N 3.33Å; N658-E660 PolarHBondContact OD1-N 3.37Å; N658-E660 VanDerWaalsContact OD1-N 3.13Å; N658-V661 HydrophobicContact CB-CB 4.23Å; N658-V661 HydrophobicContact CB-CG2 3.99Å; N658-V661 PolarHBondContact O-N 2.93Å; N658-W662 PolarHBondContact O-N 3.36Å
659Q86Confident88.2Confident116 Ų11641.9 Ų41.954%0.54220%0.203SC..Hα-helixtrans-55-48.9-178.3-174.3172-6.100114.2E657 V661 W662 E663E657-Q659 PolarHBondContact O-N 3.34Å; Q659-V661 PolarHBondContact O-N 3.45Å; Q659-W662 VanDerWaalsContact CA-NE1 3.33Å; Q659-W662 HydrophobicContact CG-CZ2 3.83Å; Q659-W662 PolarHBondContact O-N 3.1Å; Q659-E663 HydrophobicContact CG-CG 4.13Å; Q659-E663 WeakPolarHBondContact CG-OE1 3.32Å; Q659-E663 PolarHBondContact NE2-OE1 3.47Å; Q659-E663 WeakPolarHBondContact O-CB 3.34Å; Q659-E663 VanDerWaalsContact O-CG 3.31Å; Q659-E663 WeakPolarHBondContact O-CG 3.33Å; Q659-E663 PolarHBondContact O-N 3.17Å
660E86.6Confident88.3Confident119 Ų11940.6 Ų40.656%0.55620%0.198SC*.Hα-helixtrans-62.4-36.1-176.7-63.9173.5175.700111.4Q597 N658 E664Q597-E660 PolarHBondContact NE2-OE2 3.49Å; N658-E660 PolarHBondContact O-N 3.33Å; N658-E660 PolarHBondContact OD1-N 3.37Å; N658-E660 VanDerWaalsContact OD1-N 3.13Å; E660-E664 PolarHBondContact O-N 3.14Å
661V88.2Confident88.4Confident0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-71.7-49.3-178.4177.90000111.2Y580 L593 L596 Q597 L600 M653 N658 Q659 S665Y580-V661 HydrophobicContact CE1-CG1 4.08Å; L593-V661 HydrophobicContact CD1-CG2 3.55Å; L596-V661 HydrophobicContact CD2-CG1 4.1Å; Q597-V661 HydrophobicContact CG-CG2 4.35Å; L600-V661 HydrophobicContact CD1-CG1 4.17Å; M653-V661 HydrophobicContact CB-CG1 4.25Å; M653-V661 HydrophobicContact SD-CG1 4.14Å; N658-V661 HydrophobicContact CB-CB 4.23Å; N658-V661 HydrophobicContact CB-CG2 3.99Å; N658-V661 PolarHBondContact O-N 2.93Å; Q659-V661 PolarHBondContact O-N 3.45Å; V661-S665 VanDerWaalsContact O-CB 3.23Å; V661-S665 WeakPolarHBondContact O-CB 3.5Å; V661-S665 PolarHBondContact O-N 2.96Å; V661-S665 PolarHBondContact O-OG 3.41Å
662W87.9Confident88.4Confident26 Ų2642 Ų4210%0.09821%0.205CC..Hα-helixtrans-73.4-30.3-177.669.3-111.3000112.5N658 Q659 S665 I666 L695 H699 V707N658-W662 PolarHBondContact O-N 3.36Å; Q659-W662 VanDerWaalsContact CA-NE1 3.33Å; Q659-W662 HydrophobicContact CG-CZ2 3.83Å; Q659-W662 PolarHBondContact O-N 3.1Å; W662-S665 PolarHBondContact O-N 3.36Å; W662-I666 WeakPolarHBondContact O-CG2 3.24Å; W662-I666 PolarHBondContact O-N 3.28Å; W662-L695 HydrophobicContact CE3-CD1 4.49Å; W662-H699 AromaticContact CH2-CE1 3.7Å; W662-H699 AromaticContact CH2-NE2 3.89Å; W662-H699 AromaticContact CZ2-CE1 3.71Å; W662-H699 AromaticContact CZ2-NE2 3.89Å; W662-V707 HydrophobicContact CE3-CG1 4.42Å; W662-V707 HydrophobicContact CH2-CG2 3.94Å; W662-V707 HydrophobicContact CZ3-CB 4.38Å; W662-V707 HydrophobicContact CZ3-CG1 3.75Å; W662-V707 HydrophobicContact CZ3-CG2 3.67Å
663E89.5Confident88.3Confident67 Ų6739.8 Ų39.831%0.31320%0.196SC..Hα-helixtrans-66.7-43.5176.1-77.6-176.7171.800112.6Q659 I666 Q667Q659-E663 HydrophobicContact CG-CG 4.13Å; Q659-E663 WeakPolarHBondContact CG-OE1 3.32Å; Q659-E663 PolarHBondContact NE2-OE1 3.47Å; Q659-E663 WeakPolarHBondContact O-CB 3.34Å; Q659-E663 VanDerWaalsContact O-CG 3.31Å; Q659-E663 WeakPolarHBondContact O-CG 3.33Å; Q659-E663 PolarHBondContact O-N 3.17Å; E663-I666 WeakPolarHBondContact O-CG2 3.29Å; E663-Q667 VanDerWaalsContact O-CG 3.28Å; E663-Q667 WeakPolarHBondContact O-CG 3.38Å; E663-Q667 PolarHBondContact O-N 2.83Å; E663-Q667 PolarHBondContact O-NE2 2.56Å
664E89.6Confident88.2Confident60 Ų6044.8 Ų44.828%0.2822%0.219SC..Hα-helixtrans-73.6-34.3175.3-72.1-54.1130.100111.8L600 H604 E660 I666 Q667 C668L600-E664 HydrophobicContact CB-CB 4.1Å; L600-E664 HydrophobicContact CD1-CB 4.3Å; H604-E664 IonicContact ND1-OE2 3.56Å; E660-E664 PolarHBondContact O-N 3.14Å; E664-I666 PolarHBondContact O-N 2.8Å; E664-Q667 PolarHBondContact O-N 3.2Å; E664-Q667 PolarHBondContact OE1-NE2 3.33Å; E664-C668 WeakPolarHBondContact O-CB 3.32Å; E664-C668 PolarHBondContact O-N 3.18Å; E664-C668 PolarHBondContact O-SG 2.76Å
665S92.2Very high88.1Confident0 Ų046.1 Ų46.10%023%0.226CC..Hα-helixtrans-62.1-44.6176-62.40000112.3V661 W662 Q667 C668 L669V661-S665 VanDerWaalsContact O-CB 3.23Å; V661-S665 WeakPolarHBondContact O-CB 3.5Å; V661-S665 PolarHBondContact O-N 2.96Å; V661-S665 PolarHBondContact O-OG 3.41Å; W662-S665 PolarHBondContact O-N 3.36Å; S665-Q667 VanDerWaalsContact C-N 3.32Å; S665-Q667 PolarHBondContact O-N 3.47Å; S665-C668 PolarHBondContact O-N 2.98Å; S665-L669 VanDerWaalsContact O-CB 3.25Å; S665-L669 WeakPolarHBondContact O-CB 3.24Å; S665-L669 PolarHBondContact O-N 3.05Å
666I90.6Very high88.2Confident8 Ų845.1 Ų45.14%0.04122%0.215CC..Hα-helixtrans-67.5-33.2178.6-163.8174.5000112.1L654 W662 E663 E664 S670 L695 V707 T710 A711 I714L654-I666 HydrophobicContact CD2-CB 3.69Å; L654-I666 HydrophobicContact CD2-CG1 4.29Å; W662-I666 WeakPolarHBondContact O-CG2 3.24Å; W662-I666 PolarHBondContact O-N 3.28Å; E663-I666 WeakPolarHBondContact O-CG2 3.29Å; E664-I666 PolarHBondContact O-N 2.8Å; I666-S670 WeakPolarHBondContact O-CB 3.42Å; I666-S670 PolarHBondContact O-N 2.95Å; I666-L695 HydrophobicContact CD1-CD2 4.08Å; I666-V707 HydrophobicContact CD1-CG1 3.75Å; I666-T710 HydrophobicContact CD1-CG2 4.4Å; I666-T710 HydrophobicContact CG1-CG2 4.19Å; I666-A711 HydrophobicContact CD1-CB 4.18Å; I666-I714 HydrophobicContact CG1-CD1 3.98Å
667Q92.4Very high88Confident77 Ų7744.1 Ų44.136%0.3621%0.211SC..Hα-helixtrans-68.5-47.9175.7-72.4179.963.700111.7H604 E663 E664 S665 L669 S670 L671H604-Q667 PolarHBondContact CE1-OE1 3.12Å; E663-Q667 VanDerWaalsContact O-CG 3.28Å; E663-Q667 WeakPolarHBondContact O-CG 3.38Å; E663-Q667 PolarHBondContact O-N 2.83Å; E663-Q667 PolarHBondContact O-NE2 2.56Å; E664-Q667 PolarHBondContact O-N 3.2Å; E664-Q667 PolarHBondContact OE1-NE2 3.33Å; S665-Q667 VanDerWaalsContact C-N 3.32Å; S665-Q667 PolarHBondContact O-N 3.47Å; Q667-L669 VanDerWaalsContact C-N 3.35Å; Q667-L669 PolarHBondContact O-N 3.4Å; Q667-S670 WeakPolarHBondContact O-CB 3.44Å; Q667-S670 PolarHBondContact O-N 2.85Å; Q667-L671 PolarHBondContact O-N 3.38Å
668C92.3Very high87.5Confident0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-58.7-46.8174.9-68.60000111.3L600 L603 L607 L650 E664 S665 S670 L671 L672L600-C668 PolarHBondContact O-SG 3.44Å; L600-C668 VanDerWaalsContact O-SG 3.39Å; L603-C668 HydrophobicContact CD2-CB 3.87Å; L603-C668 HydrophobicContact CG-CB 4.27Å; L607-C668 HydrophobicContact CD1-CB 4.2Å; L607-C668 WeakPolarHBondContact CD1-O 3.37Å; L650-C668 HydrophobicContact CD1-CB 4.09Å; L650-C668 HydrophobicContact CD2-CB 4.19Å; E664-C668 WeakPolarHBondContact O-CB 3.32Å; E664-C668 PolarHBondContact O-N 3.18Å; E664-C668 PolarHBondContact O-SG 2.76Å; S665-C668 PolarHBondContact O-N 2.98Å; C668-S670 VanDerWaalsContact C-N 3.31Å; C668-S670 PolarHBondContact O-N 3.06Å; C668-L671 PolarHBondContact O-N 3.05Å; C668-L672 PolarHBondContact O-N 3.09Å
669L92.1Very high86.3Confident0 Ų038.2 Ų38.20%019%0.186CC..Hα-helixtrans-61.4-39.2178.1-174.763.8000111.8L650 I651 L654 S665 Q667 L671 L672 V673 F692 I714L650-L669 HydrophobicContact CB-CB 4.4Å; L650-L669 HydrophobicContact CB-CD1 4.45Å; L650-L669 HydrophobicContact CD1-CB 4.37Å; I651-L669 HydrophobicContact CG1-CD1 4.19Å; I651-L669 HydrophobicContact CG1-CD2 3.59Å; L654-L669 HydrophobicContact CD1-CD2 4.05Å; S665-L669 VanDerWaalsContact O-CB 3.25Å; S665-L669 WeakPolarHBondContact O-CB 3.24Å; S665-L669 PolarHBondContact O-N 3.05Å; Q667-L669 VanDerWaalsContact C-N 3.35Å; Q667-L669 PolarHBondContact O-N 3.4Å; L669-L671 VanDerWaalsContact C-N 3.34Å; L669-L671 PolarHBondContact O-N 3.47Å; L669-L672 PolarHBondContact O-N 3.05Å; L669-V673 HydrophobicContact CD1-CG2 4.05Å; L669-V673 HydrophobicContact CG-CG2 4.4Å; L669-V673 WeakPolarHBondContact O-CB 3.23Å; L669-V673 WeakPolarHBondContact O-CG2 3.43Å; L669-V673 PolarHBondContact O-N 2.96Å; L669-F692 HydrophobicContact CD2-CE1 4.18Å; L669-F692 HydrophobicContact CD2-CZ 4.07Å; L669-I714 HydrophobicContact CB-CD1 4.27Å; L669-I714 HydrophobicContact CD2-CD1 4.1Å; L669-I714 HydrophobicContact CD2-CG2 3.94Å; L669-I714 HydrophobicContact CG-CD1 4.05Å; L669-I714 HydrophobicContact CG-CG2 4.04Å
670S92.1Very high85.1Confident13 Ų1334.5 Ų34.59%0.09118%0.178CC..Hα-helixtrans-61.1-42.1176.4-163.40000112.5I666 Q667 C668 Q674I666-S670 WeakPolarHBondContact O-CB 3.42Å; I666-S670 PolarHBondContact O-N 2.95Å; Q667-S670 WeakPolarHBondContact O-CB 3.44Å; Q667-S670 PolarHBondContact O-N 2.85Å; C668-S670 VanDerWaalsContact C-N 3.31Å; C668-S670 PolarHBondContact O-N 3.06Å; S670-Q674 WeakPolarHBondContact O-CB 3.4Å; S670-Q674 WeakPolarHBondContact O-CG 3.16Å; S670-Q674 PolarHBondContact O-N 2.71Å; S670-Q674 PolarHBondContact O-NE2 2.93Å; S670-Q674 PolarHBondContact OG-NE2 2.85Å
671L91Very high83.9Confident26 Ų2634.5 Ų34.514%0.13618%0.178CC..Hα-helixtrans-71.4-42.2178.1-69.6172.3000111.9L607 K608 Q667 C668 L669 V673 Q674 L675L607-L671 HydrophobicContact CB-CB 3.9Å; L607-L671 HydrophobicContact CB-CD1 3.86Å; L607-L671 HydrophobicContact CD1-CB 4.18Å; K608-L671 HydrophobicContact CB-CD1 4.43Å; Q667-L671 PolarHBondContact O-N 3.38Å; C668-L671 PolarHBondContact O-N 3.05Å; L669-L671 VanDerWaalsContact C-N 3.34Å; L669-L671 PolarHBondContact O-N 3.47Å; L671-V673 PolarHBondContact O-N 3.39Å; L671-Q674 PolarHBondContact O-N 3.05Å; L671-L675 WeakPolarHBondContact O-CG 3.33Å; L671-L675 PolarHBondContact O-N 2.78Å
672L90.1Very high83.1Confident2 Ų239.5 Ų39.51%0.0121%0.205CC..Hα-helixtrans-57.7-49.5176.4-81.2168000111.7L607 L643 L650 C668 L669 Q674 L675 Y676L607-L672 HydrophobicContact CD1-CD1 4.28Å; L607-L672 HydrophobicContact CD1-CD2 4.18Å; L607-L672 HydrophobicContact CD1-CG 3.68Å; L607-L672 HydrophobicContact CD2-CD2 3.5Å; L607-L672 VanDerWaalsContact CD2-CD2 3.5Å; L607-L672 HydrophobicContact CD2-CG 3.89Å; L607-L672 HydrophobicContact CG-CD2 4.46Å; L607-L672 HydrophobicContact CG-CG 4.45Å; L643-L672 HydrophobicContact CB-CD2 3.9Å; L650-L672 HydrophobicContact CD1-CD1 3.44Å; L650-L672 VanDerWaalsContact CD1-CD1 3.44Å; C668-L672 PolarHBondContact O-N 3.09Å; L669-L672 PolarHBondContact O-N 3.05Å; L672-Q674 VanDerWaalsContact C-N 3.29Å; L672-Q674 PolarHBondContact O-N 3.38Å; L672-L675 PolarHBondContact O-N 3.27Å; L672-Y676 HydrophobicContact CD2-CD2 4.15Å; L672-Y676 HydrophobicContact CD2-CE2 4.42Å; L672-Y676 PolarHBondContact O-N 2.92Å
673V88.1Confident82.7Confident3 Ų338.6 Ų38.62%0.01820%0.203CC..Hα-helixtrans-69.6-27.3-1781720000112.1L669 L671 G677 I714 R717 L718L669-V673 HydrophobicContact CD1-CG2 4.05Å; L669-V673 HydrophobicContact CG-CG2 4.4Å; L669-V673 WeakPolarHBondContact O-CB 3.23Å; L669-V673 WeakPolarHBondContact O-CG2 3.43Å; L669-V673 PolarHBondContact O-N 2.96Å; L671-V673 PolarHBondContact O-N 3.39Å; V673-G677 WeakPolarHBondContact O-CA 3.45Å; V673-G677 PolarHBondContact O-N 3.13Å; V673-I714 HydrophobicContact CG2-CG2 4.19Å; V673-R717 HydrophobicContact CG1-CB 3.58Å; V673-R717 HydrophobicContact CG1-CG 3.36Å; V673-L718 HydrophobicContact CG1-CD2 4.2Å; V673-L718 HydrophobicContact CG1-CG 4.21Å; V673-L718 HydrophobicContact CG2-CD2 3.79Å; V673-L718 HydrophobicContact CG2-CG 4.22Å
674Q87.9Confident82.4Confident105 Ų10536 Ų3649%0.49119%0.191SC..Hα-helixtrans-69.7-40.1171-76.5169.435.200112.6S670 L671 L672S670-Q674 WeakPolarHBondContact O-CB 3.4Å; S670-Q674 WeakPolarHBondContact O-CG 3.16Å; S670-Q674 PolarHBondContact O-N 2.71Å; S670-Q674 PolarHBondContact O-NE2 2.93Å; S670-Q674 PolarHBondContact OG-NE2 2.85Å; L671-Q674 PolarHBondContact O-N 3.05Å; L672-Q674 VanDerWaalsContact C-N 3.29Å; L672-Q674 PolarHBondContact O-N 3.38Å
675L85.9Confident82.1Confident31 Ų3134.3 Ų34.316%0.16219%0.186CC..Hα-helixtrans-81.4-41.3-176-69.2170000113.2L607 T610 V614 L637 L671 L672L607-L675 HydrophobicContact CD2-CD1 4.12Å; T610-L675 HydrophobicContact CG2-CD1 3.77Å; T610-L675 HydrophobicContact CG2-CD2 4.28Å; V614-L675 HydrophobicContact CB-CD2 4.5Å; V614-L675 HydrophobicContact CG2-CD2 4.39Å; L637-L675 HydrophobicContact CD2-CB 4.42Å; L637-L675 HydrophobicContact CD2-CD2 4.19Å; L671-L675 WeakPolarHBondContact O-CG 3.33Å; L671-L675 PolarHBondContact O-N 2.78Å; L672-L675 PolarHBondContact O-N 3.27Å
676Y84.6Confident81.7Confident23 Ų2337.3 Ų37.39%0.0921%0.206CC..Hα-helixtrans-120.4-7.1-169.7-59.6-73.4000113.8L637 N640 R641 L672 E679L637-Y676 HydrophobicContact CD2-CE1 3.99Å; L637-Y676 VanDerWaalsContact O-CE1 3.28Å; L637-Y676 WeakPolarHBondContact O-CE1 3.27Å; L637-Y676 PolarHBondContact O-OH 3.03Å; N640-Y676 VanDerWaalsContact C-OH 3.32Å; N640-Y676 WeakPolarHBondContact CB-OH 3.35Å; R641-Y676 HydrophobicContact CB-CE1 4.19Å; R641-Y676 HydrophobicContact CG-CD1 4.4Å; R641-Y676 HydrophobicContact CG-CE1 4.43Å; L672-Y676 HydrophobicContact CD2-CD2 4.15Å; L672-Y676 HydrophobicContact CD2-CE2 4.42Å; L672-Y676 PolarHBondContact O-N 2.92Å; Y676-E679 WeakPolarHBondContact O-CB 3.47Å; Y676-E679 PolarHBondContact O-N 3.1Å
677G79.1Confident81.5Confident6 Ų639.4 Ų39.46%0.06222%0.221CC..THydrogen-bonded Turntrans65.1-147.9-173.300000112.1V673 E679V673-G677 WeakPolarHBondContact O-CA 3.45Å; V673-G677 PolarHBondContact O-N 3.13Å; G677-E679 VanDerWaalsContact C-N 3.26Å; G677-E679 PolarHBondContact O-N 3.33Å
678G66.8Low81.2Confident16 Ų1635.8 Ų35.817%0.16520%0.204CC..THydrogen-bonded Turntrans-84.115.6172.100000114.7G680 T721G678-G680 PolarHBondContact O-N 2.93Å; G678-T721 PolarHBondContact N-OG1 3.18Å
679E60.4Low80.9Confident105 Ų10535.8 Ų35.849%0.49120%0.204SC..  trans-71.687.9177.7-67.8-167.6175.500111.1R641 S644 Y676 G677R641-E679 IonicContact CZ-OE2 3.75Å; R641-E679 IonicContact NE-OE2 2.74Å; R641-E679 IonicContact NH2-OE2 3.51Å; R641-E679 PolarHBondContact NH2-OE2 3.2Å; S644-E679 WeakPolarHBondContact CB-O 3.33Å; S644-E679 PolarHBondContact OG-O 3.15Å; Y676-E679 WeakPolarHBondContact O-CB 3.47Å; Y676-E679 PolarHBondContact O-N 3.1Å; G677-E679 VanDerWaalsContact C-N 3.26Å; G677-E679 PolarHBondContact O-N 3.33Å
680G59.1Low80.7Confident37 Ų3741.7 Ų41.738%0.38123%0.231SC..SBendtrans-175.8-173-179.900000111.5G678G678-G680 PolarHBondContact O-N 2.93Å
681Q61.6Low80.5Confident119 Ų11941.5 Ų41.556%0.55623%0.23SC*.SBendtrans-52150.9170.3-71.2-167.9-11.300110.9T648 C683T648-Q681 HydrophobicContact CG2-CB 3.78Å; Q681-C683 PolarHBondContact O-N 3.37Å; Q681-C683 PolarHBondContact O-SG 3.16Å
682D72.8Confident80.3Confident105 Ų10540.3 Ų40.356%0.56122%0.224SC*.  trans-43.786.7-175-94.1-27.1000113.8L684 S685D682-L684 PolarHBondContact O-N 3.45Å; D682-S685 VanDerWaalsContact O-CB 3.29Å; D682-S685 WeakPolarHBondContact O-CB 3.44Å; D682-S685 PolarHBondContact O-N 2.73Å; D682-S685 PolarHBondContact O-OG 2.98Å
683C79.4Confident80.1Confident7 Ų740.4 Ų40.45%0.04723%0.225CC..THydrogen-bonded Turntrans-69.7-13.2179.2-680000112.1S647 I651 Q681 C688 L718S647-C683 WeakPolarHBondContact CB-SG 3.5Å; I651-C683 HydrophobicContact CD1-CB 4.07Å; Q681-C683 PolarHBondContact O-N 3.37Å; Q681-C683 PolarHBondContact O-SG 3.16Å; C683-C688 WeakPolarHBondContact O-CB 3.25Å; C683-L718 HydrophobicContact CB-CD1 4.21Å; C683-L718 HydrophobicContact CB-CD2 4.05Å
684L81.7Confident80Confident12 Ų1245.1 Ų45.16%0.06325%0.246CC..THydrogen-bonded Turntrans-10621.3174.8-59.4175.3000111.8D682 L689 L718 T722 W727D682-L684 PolarHBondContact O-N 3.45Å; L684-L689 HydrophobicContact CD2-CD2 4.13Å; L684-L689 WeakPolarHBondContact O-CD1 3.26Å; L684-L718 HydrophobicContact CD2-CB 4.45Å; L684-T722 HydrophobicContact CD1-CG2 4.1Å; L684-W727 HydrophobicContact CB-CB 4.06Å; L684-W727 HydrophobicContact CB-CD2 4.43Å; L684-W727 HydrophobicContact CB-CG 3.95Å; L684-W727 HydrophobicContact CD1-CD2 4.23Å; L684-W727 HydrophobicContact CD1-CG 4.08Å
685S84.8Confident79.9Confident26 Ų2640.3 Ų40.318%0.18222%0.224CC..SBendtrans-62.5154.9171.969.30000111.5D682 S687 C688 L689D682-S685 VanDerWaalsContact O-CB 3.29Å; D682-S685 WeakPolarHBondContact O-CB 3.44Å; D682-S685 PolarHBondContact O-N 2.73Å; D682-S685 PolarHBondContact O-OG 2.98Å; S685-S687 VanDerWaalsContact C-N 3.26Å; S685-S687 PolarHBondContact O-N 2.9Å; S685-S687 VanDerWaalsContact O-N 3.16Å; S685-S687 PolarHBondContact OG-OG 3.37Å; S685-C688 WeakPolarHBondContact O-CB 3.49Å; S685-C688 PolarHBondContact O-N 3.01Å; S685-C688 PolarHBondContact OG-SG 2.93Å; S685-L689 WeakPolarHBondContact O-CG 3.22Å; S685-L689 PolarHBondContact O-N 3.41Å
686P83.4Confident79.8Confident63 Ų6338.8 Ų38.841%0.40922%0.216SC..Hα-helixtrans-49.7-42.2179.9-31.837.4000114.4L689 Q690 E732P686-L689 PolarHBondContact O-N 3.43Å; P686-Q690 PolarHBondContact O-N 2.73Å; P686-Q690 VanDerWaalsContact O-N 3.07Å; P686-E732 HydrophobicContact CB-CB 4.33Å; P686-E732 HydrophobicContact CB-CG 4.06Å; P686-E732 WeakPolarHBondContact O-CB 3.32Å; P686-E732 WeakPolarHBondContact O-CG 3.48Å
687S85.8Confident79.8Confident52 Ų5243.8 Ų43.836%0.36424%0.235SC..Hα-helixtrans-67.6-38.2178.656.30000112.9H652 S685 Q690 S691H652-S687 PolarHBondContact NE2-OG 3.49Å; S685-S687 VanDerWaalsContact C-N 3.26Å; S685-S687 PolarHBondContact O-N 2.9Å; S685-S687 VanDerWaalsContact O-N 3.16Å; S685-S687 PolarHBondContact OG-OG 3.37Å; S687-Q690 PolarHBondContact O-N 3.44Å; S687-S691 PolarHBondContact O-N 3.21Å; S687-S691 VanDerWaalsContact O-N 3.1Å; S687-S691 PolarHBondContact O-OG 3.07Å
688C86.1Confident79.9Confident0 Ų046.7 Ų46.70%026%0.258CS..Hα-helixtrans-65.6-42.7175.6-69.10000112I651 C683 S685 Q690 S691 F692I651-C688 HydrophobicContact CB-CB 4.46Å; I651-C688 HydrophobicContact CD1-CB 4.28Å; I651-C688 HydrophobicContact CG2-CB 3.72Å; I651-C688 WeakPolarHBondContact CG2-O 3.46Å; C683-C688 WeakPolarHBondContact O-CB 3.25Å; S685-C688 WeakPolarHBondContact O-CB 3.49Å; S685-C688 PolarHBondContact O-N 3.01Å; S685-C688 PolarHBondContact OG-SG 2.93Å; C688-Q690 VanDerWaalsContact C-N 3.28Å; C688-Q690 PolarHBondContact O-N 3.24Å; C688-S691 PolarHBondContact O-N 3.48Å; C688-F692 VanDerWaalsContact O-CD2 3.3Å; C688-F692 WeakPolarHBondContact O-CD2 3.5Å; C688-F692 PolarHBondContact O-N 3.38Å
689L86.6Confident80.4Confident0 Ų047.6 Ų47.60%026%0.258CS..Hα-helixtrans-62.2-38176.7-64.6170.4000111.6L684 S685 P686 S693 W727 E732 L736L684-L689 HydrophobicContact CD2-CD2 4.13Å; L684-L689 WeakPolarHBondContact O-CD1 3.26Å; S685-L689 WeakPolarHBondContact O-CG 3.22Å; S685-L689 PolarHBondContact O-N 3.41Å; P686-L689 PolarHBondContact O-N 3.43Å; L689-S693 WeakPolarHBondContact O-CB 3.33Å; L689-S693 PolarHBondContact O-N 2.75Å; L689-S693 PolarHBondContact O-OG 3.18Å; L689-W727 HydrophobicContact CD1-CB 4.25Å; L689-W727 HydrophobicContact CD1-CE3 4.03Å; L689-W727 HydrophobicContact CD2-CE3 3.9Å; L689-W727 HydrophobicContact CD2-CZ3 4.21Å; L689-E732 HydrophobicContact CB-CB 4.08Å; L689-L736 HydrophobicContact CD2-CD2 3.65Å
690Q87.1Confident81Confident124 Ų12444.4 Ų44.458%0.57925%0.246SC*.Hα-helixtrans-63.8-44.8174.3-170177.712.200111.8P686 S687 C688 S693 H694 E732P686-Q690 PolarHBondContact O-N 2.73Å; P686-Q690 VanDerWaalsContact O-N 3.07Å; S687-Q690 PolarHBondContact O-N 3.44Å; C688-Q690 VanDerWaalsContact C-N 3.28Å; C688-Q690 PolarHBondContact O-N 3.24Å; Q690-S693 PolarHBondContact O-N 3.02Å; Q690-H694 WeakPolarHBondContact O-CB 3.22Å; Q690-H694 PolarHBondContact O-N 3.04Å; Q690-E732 HydrophobicContact CB-CG 4.49Å
691S87.3Confident81.3Confident10 Ų1048.8 Ų48.87%0.0726%0.26CS..Hα-helixtrans-62.6-42.6176.6-67.60000112.7I651 S655 S687 C688 H694 L695I651-S691 VanDerWaalsContact O-CB 3.26Å; I651-S691 WeakPolarHBondContact O-CB 3.4Å; S655-S691 PolarHBondContact OG-OG 3.28Å; S687-S691 PolarHBondContact O-N 3.21Å; S687-S691 VanDerWaalsContact O-N 3.1Å; S687-S691 PolarHBondContact O-OG 3.07Å; C688-S691 PolarHBondContact O-N 3.48Å; S691-H694 PolarHBondContact O-N 2.97Å; S691-L695 WeakPolarHBondContact O-CB 3.49Å; S691-L695 PolarHBondContact O-N 2.85Å
692F87.9Confident81.7Confident1 Ų145.8 Ų45.80%0.00425%0.252CS..Hα-helixtrans-62.3-43.5173.5-78.2-57.1000112.4I651 L654 L669 C688 H694 L695 L696 I714 I715 L718 L736I651-F692 HydrophobicContact CB-CZ 4.48Å; I651-F692 HydrophobicContact CD1-CE2 3.73Å; I651-F692 HydrophobicContact CD1-CZ 3.81Å; I651-F692 HydrophobicContact CG1-CE1 4.39Å; I651-F692 HydrophobicContact CG1-CE2 3.88Å; I651-F692 HydrophobicContact CG1-CZ 3.61Å; I651-F692 HydrophobicContact CG2-CD2 3.99Å; I651-F692 HydrophobicContact CG2-CE2 3.77Å; I651-F692 HydrophobicContact CG2-CG 4.46Å; I651-F692 HydrophobicContact CG2-CZ 4.05Å; L654-F692 HydrophobicContact CD1-CD1 4.07Å; L654-F692 HydrophobicContact CD1-CE1 3.78Å; L669-F692 HydrophobicContact CD2-CE1 4.18Å; L669-F692 HydrophobicContact CD2-CZ 4.07Å; C688-F692 VanDerWaalsContact O-CD2 3.3Å; C688-F692 WeakPolarHBondContact O-CD2 3.5Å; C688-F692 PolarHBondContact O-N 3.38Å; F692-H694 VanDerWaalsContact C-N 3.32Å; F692-H694 PolarHBondContact O-N 3.33Å; F692-L695 PolarHBondContact O-N 3.35Å; F692-L696 WeakPolarHBondContact O-CB 3.34Å; F692-L696 WeakPolarHBondContact O-CG 3.3Å; F692-L696 PolarHBondContact O-N 3.28Å; F692-I714 HydrophobicContact CE1-CG2 4.2Å; F692-I714 HydrophobicContact CZ-CG2 3.98Å; F692-I715 HydrophobicContact CB-CD1 4.21Å; F692-I715 HydrophobicContact CD1-CD1 4.11Å; F692-I715 HydrophobicContact CD1-CG1 4.07Å; F692-I715 HydrophobicContact CD2-CG1 4.41Å; F692-I715 HydrophobicContact CE1-CG1 4.24Å; F692-I715 HydrophobicContact CG-CD1 4.16Å; F692-I715 HydrophobicContact CG-CG1 4.16Å; F692-I715 HydrophobicContact CZ-CG1 4.46Å; F692-L718 HydrophobicContact CE2-CD1 4.22Å; F692-L718 HydrophobicContact CZ-CD1 4.11Å; F692-L736 HydrophobicContact CB-CD1 4.19Å
693S85.9Confident81Confident3 Ų350.4 Ų50.42%0.02127%0.271CS..Hα-helixtrans-62.4-40.8177.4-58.80000111.5L689 Q690 R697 L736L689-S693 WeakPolarHBondContact O-CB 3.33Å; L689-S693 PolarHBondContact O-N 2.75Å; L689-S693 PolarHBondContact O-OG 3.18Å; Q690-S693 PolarHBondContact O-N 3.02Å; S693-R697 WeakPolarHBondContact O-CB 3.43Å; S693-R697 VanDerWaalsContact O-CG 3.27Å; S693-R697 WeakPolarHBondContact O-CG 3.41Å; S693-R697 PolarHBondContact O-N 2.95Å; S693-L736 WeakPolarHBondContact OG-CA 3.34Å; S693-L736 WeakPolarHBondContact OG-CB 3.45Å; S693-L736 WeakPolarHBondContact OG-CD1 3.32Å
694H85.9Confident80.6Confident102 Ų10253.8 Ų53.847%0.47229%0.288SS..Hα-helixtrans-64.7-47.9176.9-172.5-102000111.7Q690 S691 F692 L696 R697 A698Q690-H694 WeakPolarHBondContact O-CB 3.22Å; Q690-H694 PolarHBondContact O-N 3.04Å; S691-H694 PolarHBondContact O-N 2.97Å; F692-H694 VanDerWaalsContact C-N 3.32Å; F692-H694 PolarHBondContact O-N 3.33Å; H694-L696 PolarHBondContact O-N 3.34Å; H694-R697 PolarHBondContact O-N 3.03Å; H694-A698 VanDerWaalsContact O-CB 3.32Å; H694-A698 WeakPolarHBondContact O-CB 3.09Å; H694-A698 PolarHBondContact O-N 3.41Å
695L86.4Confident80.4Confident4 Ų454.1 Ų54.12%0.02129%0.291CS..Hα-helixtrans-57.6-49.7176.2179.376.5000111.3L654 W662 I666 S691 F692 R697 A698 H699 V707 A711L654-L695 HydrophobicContact CB-CB 4.47Å; L654-L695 HydrophobicContact CB-CD1 4.4Å; L654-L695 HydrophobicContact CB-CD2 4.25Å; L654-L695 HydrophobicContact CD1-CD2 4.1Å; W662-L695 HydrophobicContact CE3-CD1 4.49Å; I666-L695 HydrophobicContact CD1-CD2 4.08Å; S691-L695 WeakPolarHBondContact O-CB 3.49Å; S691-L695 PolarHBondContact O-N 2.85Å; F692-L695 PolarHBondContact O-N 3.35Å; L695-R697 PolarHBondContact O-N 3.37Å; L695-A698 PolarHBondContact O-N 2.97Å; L695-H699 PolarHBondContact O-CD2 3.12Å; L695-H699 VanDerWaalsContact O-CD2 3.27Å; L695-H699 PolarHBondContact O-N 3.49Å; L695-H699 VanDerWaalsContact O-N 3.17Å; L695-V707 HydrophobicContact CD1-CG1 4.23Å; L695-V707 HydrophobicContact CD2-CG1 4.49Å; L695-A711 HydrophobicContact CD2-CB 3.95Å
696L84Confident80.3Confident0 Ų060.8 Ų60.80%031%0.312CS..Hα-helixtrans-60.5-46.2-179.2-74.1175.1000111.2F692 H694 H699 V700 A711 L712 I715 L736 V739 L740 I743F692-L696 WeakPolarHBondContact O-CB 3.34Å; F692-L696 WeakPolarHBondContact O-CG 3.3Å; F692-L696 PolarHBondContact O-N 3.28Å; H694-L696 PolarHBondContact O-N 3.34Å; L696-H699 PolarHBondContact O-N 3.19Å; L696-V700 VanDerWaalsContact O-CG2 3.23Å; L696-V700 WeakPolarHBondContact O-CG2 3.28Å; L696-V700 PolarHBondContact O-N 3.49Å; L696-A711 HydrophobicContact CD2-CB 4.1Å; L696-L712 HydrophobicContact CD1-CD2 4.39Å; L696-L712 HydrophobicContact CD2-CD2 4.32Å; L696-L712 HydrophobicContact CD2-CG 4.43Å; L696-I715 HydrophobicContact CD1-CD1 3.95Å; L696-L736 HydrophobicContact CD1-CD1 3.99Å; L696-V739 HydrophobicContact CB-CG1 3.78Å; L696-V739 HydrophobicContact CD1-CG1 4.27Å; L696-L740 HydrophobicContact CD1-CD2 4.28Å; L696-I743 HydrophobicContact CB-CD1 4.11Å; L696-I743 HydrophobicContact CD1-CD1 4.41Å; L696-I743 HydrophobicContact CD2-CD1 4.25Å; L696-I743 HydrophobicContact CG-CD1 4.5Å
697R84.3Confident80.3Confident128 Ų12859 Ų5948%0.48330%0.301SS..Hα-helixtrans-61.2-46176.4-75.3-175.4-169.3109.43.1112.7S693 H694 L695 H699 V700 G735 V739S693-R697 WeakPolarHBondContact O-CB 3.43Å; S693-R697 VanDerWaalsContact O-CG 3.27Å; S693-R697 WeakPolarHBondContact O-CG 3.41Å; S693-R697 PolarHBondContact O-N 2.95Å; H694-R697 PolarHBondContact O-N 3.03Å; L695-R697 PolarHBondContact O-N 3.37Å; R697-H699 PolarHBondContact O-N 2.84Å; R697-V700 PolarHBondContact O-N 3.39Å; R697-G735 PolarHBondContact NH2-O 2.87Å; R697-G735 VanDerWaalsContact NH2-O 3.12Å; R697-V739 HydrophobicContact CG-CG1 4.2Å; R697-V739 HydrophobicContact CG-CG2 3.86Å
698A81.1Confident80.1Confident67 Ų6756.8 Ų56.855%0.55428%0.284SS*.Hα-helixtrans-60.2-32.9-179.700000112.3H694 L695H694-A698 VanDerWaalsContact O-CB 3.32Å; H694-A698 WeakPolarHBondContact O-CB 3.09Å; H694-A698 PolarHBondContact O-N 3.41Å; L695-A698 PolarHBondContact O-N 2.97Å
699H77.4Confident80Confident34 Ų3459.8 Ų59.816%0.15730%0.296CS..THydrogen-bonded Turntrans-101.26.6-177.8-67.3-74.7000115.2W662 L695 L696 R697 N701 S702 Q708W662-H699 AromaticContact CH2-CE1 3.7Å; W662-H699 AromaticContact CH2-NE2 3.89Å; W662-H699 AromaticContact CZ2-CE1 3.71Å; W662-H699 AromaticContact CZ2-NE2 3.89Å; L695-H699 PolarHBondContact O-CD2 3.12Å; L695-H699 VanDerWaalsContact O-CD2 3.27Å; L695-H699 PolarHBondContact O-N 3.49Å; L695-H699 VanDerWaalsContact O-N 3.17Å; L696-H699 PolarHBondContact O-N 3.19Å; R697-H699 PolarHBondContact O-N 2.84Å; H699-N701 PolarHBondContact O-N 2.91Å; H699-N701 VanDerWaalsContact O-N 3.15Å; H699-S702 WeakPolarHBondContact O-CB 3.45Å; H699-S702 PolarHBondContact O-N 3.02Å; H699-S702 VanDerWaalsContact O-N 3.12Å; H699-Q708 HydrophobicContact CB-CG 3.99Å; H699-Q708 PolarHBondContact O-NE2 3.43Å
700V72.1Confident80.1Confident38 Ų3861 Ų6123%0.2330%0.303CS..THydrogen-bonded Turntrans-52.9-35.8178.8170.60000113.2L696 R697 Q708L696-V700 VanDerWaalsContact O-CG2 3.23Å; L696-V700 WeakPolarHBondContact O-CG2 3.28Å; L696-V700 PolarHBondContact O-N 3.49Å; R697-V700 PolarHBondContact O-N 3.39Å; V700-Q708 VanDerWaalsContact CA-NE2 3.27Å
701N65.1Low80Confident129 Ų12955.1 Ų55.169%0.6928%0.276SS*.THydrogen-bonded Turntrans-107.715.5-176.8-59.3-51.1000113.4H699H699-N701 PolarHBondContact O-N 2.91Å; H699-N701 VanDerWaalsContact O-N 3.15Å
702S69.8Low80Confident56 Ų5654.7 Ų54.739%0.39227%0.273SS..  trans-76.2136.8-178.7-173.50000111.5H699 N704H699-S702 WeakPolarHBondContact O-CB 3.45Å; H699-S702 PolarHBondContact O-N 3.02Å; H699-S702 VanDerWaalsContact O-N 3.12Å; S702-N704 PolarHBondContact O-N 3.31Å; S702-N704 VanDerWaalsContact O-N 3.13Å
703E59.5Low79.9Confident202 Ų20259.5 Ų59.594%0.94429%0.291SS*.SBendtrans-62.3-18.1178.1-65.2-173.6163.100113.4
704N70Confident80Confident78 Ų7859.5 Ų59.542%0.41729%0.29SS..  trans-118101.7-178.5-168.2-10.1000112.5S702 R706S702-N704 PolarHBondContact O-N 3.31Å; S702-N704 VanDerWaalsContact O-N 3.13Å; N704-R706 PolarHBondContact O-N 2.91Å; N704-R706 WeakPolarHBondContact OD1-CB 3.48Å; N704-R706 WeakPolarHBondContact OD1-CD 3.47Å; N704-R706 WeakPolarHBondContact OD1-CG 3.37Å; N704-R706 PolarHBondContact OD1-N 3.36Å
705P78.3Confident80Confident19 Ų1954.8 Ų54.812%0.12327%0.268CS..THydrogen-bonded Turntrans-75.99-175.630.7-37000114.4V707 R709 P750 V753P705-V707 VanDerWaalsContact C-N 3.33Å; P705-V707 PolarHBondContact O-N 3.26Å; P705-R709 WeakPolarHBondContact O-CB 3.27Å; P705-R709 VanDerWaalsContact O-CG 3.22Å; P705-R709 WeakPolarHBondContact O-CG 3.45Å; P705-R709 PolarHBondContact O-N 2.92Å; P705-R709 PolarHBondContact O-NE 3.4Å; P705-R709 VanDerWaalsContact O-NE 3.14Å; P705-P750 HydrophobicContact CB-CB 4.39Å; P705-P750 HydrophobicContact CB-CG 3.79Å; P705-P750 HydrophobicContact CG-CB 4.28Å; P705-P750 HydrophobicContact CG-CG 3.79Å; P705-V753 HydrophobicContact CB-CG2 3.78Å
706R82.5Confident80Confident166 Ų16656.4 Ų56.463%0.62628%0.275SS*.Hα-helixtrans-60.1-40.7-177.5-78175.3-171.2-166.91112.9N704 R709 T710N704-R706 PolarHBondContact O-N 2.91Å; N704-R706 WeakPolarHBondContact OD1-CB 3.48Å; N704-R706 WeakPolarHBondContact OD1-CD 3.47Å; N704-R706 WeakPolarHBondContact OD1-CG 3.37Å; N704-R706 PolarHBondContact OD1-N 3.36Å; R706-R709 PolarHBondContact O-N 3.36Å; R706-T710 WeakPolarHBondContact O-CB 3.41Å; R706-T710 PolarHBondContact O-N 2.82Å; R706-T710 VanDerWaalsContact O-N 3.09Å; R706-T710 PolarHBondContact O-OG1 2.88Å
707V82.8Confident80Confident27 Ų2761.6 Ų61.616%0.16430%0.295CS..Hα-helixtrans-65.9-51.3-178.7-178.70000110W662 I666 L695 P705 R709 T710 A711W662-V707 HydrophobicContact CE3-CG1 4.42Å; W662-V707 HydrophobicContact CH2-CG2 3.94Å; W662-V707 HydrophobicContact CZ3-CB 4.38Å; W662-V707 HydrophobicContact CZ3-CG1 3.75Å; W662-V707 HydrophobicContact CZ3-CG2 3.67Å; I666-V707 HydrophobicContact CD1-CG1 3.75Å; L695-V707 HydrophobicContact CD1-CG1 4.23Å; L695-V707 HydrophobicContact CD2-CG1 4.49Å; P705-V707 VanDerWaalsContact C-N 3.33Å; P705-V707 PolarHBondContact O-N 3.26Å; V707-R709 VanDerWaalsContact C-N 3.34Å; V707-R709 PolarHBondContact O-N 3.27Å; V707-T710 PolarHBondContact O-N 2.72Å; V707-T710 VanDerWaalsContact O-N 3.08Å; V707-A711 PolarHBondContact O-N 3.31Å
708Q81.9Confident80Confident4 Ų455.5 Ų55.52%0.01927%0.272CS..Hα-helixtrans-58.3-43.7176.6-65.6-178.9-41.500112.4H699 V700 T710 A711 L712 V753H699-Q708 HydrophobicContact CB-CG 3.99Å; H699-Q708 PolarHBondContact O-NE2 3.43Å; V700-Q708 VanDerWaalsContact CA-NE2 3.27Å; Q708-T710 PolarHBondContact O-N 3.33Å; Q708-A711 PolarHBondContact O-N 3.31Å; Q708-L712 WeakPolarHBondContact O-CB 3.41Å; Q708-L712 VanDerWaalsContact O-CG 3.31Å; Q708-L712 WeakPolarHBondContact O-CG 3.5Å; Q708-L712 PolarHBondContact O-N 3.17Å; Q708-V753 HydrophobicContact CB-CG1 4.25Å
709R84.8Confident80Confident64 Ų6453.6 Ų53.624%0.24225%0.252CS..Hα-helixtrans-62.1-32.9176.9-74.4-178.5-73174.9-3.1113.4P705 R706 V707 R713 D752 V753P705-R709 WeakPolarHBondContact O-CB 3.27Å; P705-R709 VanDerWaalsContact O-CG 3.22Å; P705-R709 WeakPolarHBondContact O-CG 3.45Å; P705-R709 PolarHBondContact O-N 2.92Å; P705-R709 PolarHBondContact O-NE 3.4Å; P705-R709 VanDerWaalsContact O-NE 3.14Å; R706-R709 PolarHBondContact O-N 3.36Å; V707-R709 VanDerWaalsContact C-N 3.34Å; V707-R709 PolarHBondContact O-N 3.27Å; R709-R713 WeakPolarHBondContact O-CB 3.46Å; R709-R713 WeakPolarHBondContact O-CG 2.99Å; R709-R713 PolarHBondContact O-N 3.08Å; R709-R713 PolarHBondContact O-NE 3.39Å; R709-D752 WeakPolarHBondContact CD-OD2 3.27Å; R709-D752 IonicContact CZ-OD2 3.41Å; R709-D752 IonicContact NE-OD2 2.76Å; R709-D752 IonicContact NH1-OD2 2.93Å; R709-D752 PolarHBondContact NH1-OD2 2.94Å; R709-V753 HydrophobicContact CG-CG2 3.57Å
710T87.2Confident80.1Confident26 Ų2656.7 Ų56.716%0.1627%0.267CS..Hα-helixtrans-78.9-43.2179.6-53.60000110I666 R706 V707 Q708 L712 R713 I714I666-T710 HydrophobicContact CD1-CG2 4.4Å; I666-T710 HydrophobicContact CG1-CG2 4.19Å; R706-T710 WeakPolarHBondContact O-CB 3.41Å; R706-T710 PolarHBondContact O-N 2.82Å; R706-T710 VanDerWaalsContact O-N 3.09Å; R706-T710 PolarHBondContact O-OG1 2.88Å; V707-T710 PolarHBondContact O-N 2.72Å; V707-T710 VanDerWaalsContact O-N 3.08Å; Q708-T710 PolarHBondContact O-N 3.33Å; T710-L712 PolarHBondContact O-N 2.92Å; T710-R713 WeakPolarHBondContact O-CB 3.25Å; T710-R713 PolarHBondContact O-N 2.93Å; T710-R713 PolarHBondContact OG1-NH2 2.93Å; T710-R713 VanDerWaalsContact OG1-NH2 3.15Å; T710-I714 HydrophobicContact CG2-CD1 4.14Å; T710-I714 VanDerWaalsContact O-CG1 3.31Å; T710-I714 WeakPolarHBondContact O-CG1 3.25Å; T710-I714 PolarHBondContact O-N 2.81Å
711A85.9Confident80.3Confident0 Ų057.2 Ų57.20%027%0.27CS..Hα-helixtrans-58-48.4173.400000112.2I666 L695 L696 V707 Q708 R713 I714 I715I666-A711 HydrophobicContact CD1-CB 4.18Å; L695-A711 HydrophobicContact CD2-CB 3.95Å; L696-A711 HydrophobicContact CD2-CB 4.1Å; V707-A711 PolarHBondContact O-N 3.31Å; Q708-A711 PolarHBondContact O-N 3.31Å; A711-R713 VanDerWaalsContact C-N 3.31Å; A711-R713 PolarHBondContact O-N 2.87Å; A711-I714 WeakPolarHBondContact O-CB 3.38Å; A711-I714 PolarHBondContact O-N 3.24Å; A711-I714 VanDerWaalsContact O-N 3.15Å; A711-I715 WeakPolarHBondContact O-CG1 3.48Å; A711-I715 PolarHBondContact O-N 3.39Å
712L86.6Confident80.5Confident1 Ų153.1 Ų53.11%0.00525%0.25CC..Hα-helixtrans-62.5-36.8177.1-68.4175.6000112.3L696 Q708 T710 I715 K716 L740 V753 R756 A757 I760L696-L712 HydrophobicContact CD1-CD2 4.39Å; L696-L712 HydrophobicContact CD2-CD2 4.32Å; L696-L712 HydrophobicContact CD2-CG 4.43Å; Q708-L712 WeakPolarHBondContact O-CB 3.41Å; Q708-L712 VanDerWaalsContact O-CG 3.31Å; Q708-L712 WeakPolarHBondContact O-CG 3.5Å; Q708-L712 PolarHBondContact O-N 3.17Å; T710-L712 PolarHBondContact O-N 2.92Å; L712-I715 PolarHBondContact O-N 2.97Å; L712-K716 WeakPolarHBondContact O-CB 3.28Å; L712-K716 PolarHBondContact O-N 3.37Å; L712-L740 HydrophobicContact CD2-CD2 3.38Å; L712-V753 HydrophobicContact CD1-CG1 3.68Å; L712-R756 HydrophobicContact CD1-CB 4.19Å; L712-A757 HydrophobicContact CD1-CB 4.37Å; L712-I760 HydrophobicContact CB-CD1 4.09Å; L712-I760 HydrophobicContact CD2-CD1 3.98Å; L712-I760 WeakPolarHBondContact O-CD1 3.47Å
713R87.2Confident80.1Confident102 Ų10258.7 Ų58.739%0.38528%0.275SS..Hα-helixtrans-63.8-41.5174-87.5-179.1-79.4150.3-3.5112.3R709 T710 A711 R717R709-R713 WeakPolarHBondContact O-CB 3.46Å; R709-R713 WeakPolarHBondContact O-CG 2.99Å; R709-R713 PolarHBondContact O-N 3.08Å; R709-R713 PolarHBondContact O-NE 3.39Å; T710-R713 WeakPolarHBondContact O-CB 3.25Å; T710-R713 PolarHBondContact O-N 2.93Å; T710-R713 PolarHBondContact OG1-NH2 2.93Å; T710-R713 VanDerWaalsContact OG1-NH2 3.15Å; A711-R713 VanDerWaalsContact C-N 3.31Å; A711-R713 PolarHBondContact O-N 2.87Å; R713-R717 WeakPolarHBondContact O-CB 3.41Å; R713-R717 PolarHBondContact O-N 2.84Å; R713-R717 VanDerWaalsContact O-N 3.1Å
714I87.5Confident80Confident3 Ų355.3 Ų55.32%0.01526%0.259CS..Hα-helixtrans-63.2-52.3176.2-69.7162.7000109.6I666 L669 V673 F692 T710 A711 K716 R717 L718I666-I714 HydrophobicContact CG1-CD1 3.98Å; L669-I714 HydrophobicContact CB-CD1 4.27Å; L669-I714 HydrophobicContact CD2-CD1 4.1Å; L669-I714 HydrophobicContact CD2-CG2 3.94Å; L669-I714 HydrophobicContact CG-CD1 4.05Å; L669-I714 HydrophobicContact CG-CG2 4.04Å; V673-I714 HydrophobicContact CG2-CG2 4.19Å; F692-I714 HydrophobicContact CE1-CG2 4.2Å; F692-I714 HydrophobicContact CZ-CG2 3.98Å; T710-I714 HydrophobicContact CG2-CD1 4.14Å; T710-I714 VanDerWaalsContact O-CG1 3.31Å; T710-I714 WeakPolarHBondContact O-CG1 3.25Å; T710-I714 PolarHBondContact O-N 2.81Å; A711-I714 WeakPolarHBondContact O-CB 3.38Å; A711-I714 PolarHBondContact O-N 3.24Å; A711-I714 VanDerWaalsContact O-N 3.15Å; I714-K716 PolarHBondContact O-N 3.5Å; I714-R717 PolarHBondContact O-N 2.69Å; I714-R717 VanDerWaalsContact O-N 3.17Å; I714-L718 HydrophobicContact CG2-CD1 3.8Å; I714-L718 HydrophobicContact CG2-CG 4.3Å; I714-L718 WeakPolarHBondContact O-CG 3.33Å; I714-L718 PolarHBondContact O-N 3.33Å
715I85.8Confident79.4Confident2 Ų256 Ų561%0.0127%0.271CS..Hα-helixtrans-56.5-50179.8-67.6165.3000110.7F692 L696 A711 L712 R717 L718 I719 L736 I760F692-I715 HydrophobicContact CB-CD1 4.21Å; F692-I715 HydrophobicContact CD1-CD1 4.11Å; F692-I715 HydrophobicContact CD1-CG1 4.07Å; F692-I715 HydrophobicContact CD2-CG1 4.41Å; F692-I715 HydrophobicContact CE1-CG1 4.24Å; F692-I715 HydrophobicContact CG-CD1 4.16Å; F692-I715 HydrophobicContact CG-CG1 4.16Å; F692-I715 HydrophobicContact CZ-CG1 4.46Å; L696-I715 HydrophobicContact CD1-CD1 3.95Å; A711-I715 WeakPolarHBondContact O-CG1 3.48Å; A711-I715 PolarHBondContact O-N 3.39Å; L712-I715 PolarHBondContact O-N 2.97Å; I715-R717 VanDerWaalsContact C-N 3.33Å; I715-R717 PolarHBondContact O-N 3.07Å; I715-L718 PolarHBondContact O-N 3.48Å; I715-I719 HydrophobicContact CG2-CD1 3.59Å; I715-I719 HydrophobicContact CG2-CG1 4.41Å; I715-I719 WeakPolarHBondContact O-CD1 3.48Å; I715-I719 VanDerWaalsContact O-CG1 3.25Å; I715-I719 WeakPolarHBondContact O-CG1 3.42Å; I715-I719 PolarHBondContact O-N 3.28Å; I715-L736 HydrophobicContact CD1-CD1 4.48Å; I715-I760 HydrophobicContact CG2-CD1 4.46Å; I715-I760 HydrophobicContact CG2-CG2 4.4Å
716K85.8Confident78.5Confident39 Ų3957.5 Ų57.517%0.1729%0.289CS..Hα-helixtrans-54.2-49.4176.8-170.3175.4-172.1175.80111.7L712 I714 I719 Q720 E759 I760 E763L712-K716 WeakPolarHBondContact O-CB 3.28Å; L712-K716 PolarHBondContact O-N 3.37Å; I714-K716 PolarHBondContact O-N 3.5Å; K716-I719 PolarHBondContact O-N 3.15Å; K716-Q720 VanDerWaalsContact O-CG 3.29Å; K716-Q720 WeakPolarHBondContact O-CG 3.24Å; K716-Q720 PolarHBondContact O-N 3.47Å; K716-E759 IonicContact NZ-OE2 3.59Å; K716-E759 PolarHBondContact NZ-OE2 3.06Å; K716-I760 HydrophobicContact CB-CD1 3.97Å; K716-I760 HydrophobicContact CB-CG1 3.76Å; K716-I760 HydrophobicContact CD-CG1 4.33Å; K716-I760 HydrophobicContact CG-CG1 4.01Å; K716-E763 VanDerWaalsContact CE-CD 3.5Å; K716-E763 WeakPolarHBondContact CE-OE1 3.34Å; K716-E763 WeakPolarHBondContact CE-OE2 3.32Å; K716-E763 WeakPolarHBondContact CG-OE2 3.33Å; K716-E763 IonicContact NZ-OE1 3.27Å
717R84.6Confident78Confident108 Ų10850.8 Ų50.841%0.40826%0.264SS..Hα-helixtrans-66.5-39.8-177.3-177.558.2168.7-178.32.2112.2V673 R713 I714 I715 Q720 T721V673-R717 HydrophobicContact CG1-CB 3.58Å; V673-R717 HydrophobicContact CG1-CG 3.36Å; R713-R717 WeakPolarHBondContact O-CB 3.41Å; R713-R717 PolarHBondContact O-N 2.84Å; R713-R717 VanDerWaalsContact O-N 3.1Å; I714-R717 PolarHBondContact O-N 2.69Å; I714-R717 VanDerWaalsContact O-N 3.17Å; I715-R717 VanDerWaalsContact C-N 3.33Å; I715-R717 PolarHBondContact O-N 3.07Å; R717-Q720 PolarHBondContact O-N 3.03Å; R717-T721 WeakPolarHBondContact O-CG2 3.4Å; R717-T721 PolarHBondContact O-N 3.24Å; R717-T721 PolarHBondContact O-OG1 3.25Å
718L83.6Confident77.5Confident1 Ų152.6 Ų52.61%0.00527%0.272CS..Hα-helixtrans-61.5-47.3175.5-71.1173.5000110.9V673 C683 L684 F692 I714 I715 Q720 T721 T722V673-L718 HydrophobicContact CG1-CD2 4.2Å; V673-L718 HydrophobicContact CG1-CG 4.21Å; V673-L718 HydrophobicContact CG2-CD2 3.79Å; V673-L718 HydrophobicContact CG2-CG 4.22Å; C683-L718 HydrophobicContact CB-CD1 4.21Å; C683-L718 HydrophobicContact CB-CD2 4.05Å; L684-L718 HydrophobicContact CD2-CB 4.45Å; F692-L718 HydrophobicContact CE2-CD1 4.22Å; F692-L718 HydrophobicContact CZ-CD1 4.11Å; I714-L718 HydrophobicContact CG2-CD1 3.8Å; I714-L718 HydrophobicContact CG2-CG 4.3Å; I714-L718 WeakPolarHBondContact O-CG 3.33Å; I714-L718 PolarHBondContact O-N 3.33Å; I715-L718 PolarHBondContact O-N 3.48Å; L718-Q720 VanDerWaalsContact C-N 3.33Å; L718-Q720 PolarHBondContact O-N 3.39Å; L718-T721 PolarHBondContact O-N 3.36Å; L718-T721 VanDerWaalsContact O-N 3.14Å; L718-T721 PolarHBondContact O-OG1 2.9Å; L718-T721 VanDerWaalsContact O-OG1 3.09Å; L718-T722 PolarHBondContact O-N 3.1Å; L718-T722 PolarHBondContact O-OG1 3.32Å
719I81.3Confident77Confident26 Ų2660.5 Ų60.513%0.13331%0.309CS..Hα-helixtrans-58.3-45.1177.8-65.9163.7000111I715 K716 T721 T722 W727 I760 L764I715-I719 HydrophobicContact CG2-CD1 3.59Å; I715-I719 HydrophobicContact CG2-CG1 4.41Å; I715-I719 WeakPolarHBondContact O-CD1 3.48Å; I715-I719 VanDerWaalsContact O-CG1 3.25Å; I715-I719 WeakPolarHBondContact O-CG1 3.42Å; I715-I719 PolarHBondContact O-N 3.28Å; K716-I719 PolarHBondContact O-N 3.15Å; I719-T721 PolarHBondContact O-N 3.2Å; I719-T722 PolarHBondContact O-N 2.75Å; I719-W727 HydrophobicContact CD1-CH2 4.03Å; I719-W727 HydrophobicContact CD1-CZ2 4.16Å; I719-W727 HydrophobicContact CG1-CH2 4.1Å; I719-W727 HydrophobicContact CG1-CZ2 3.77Å; I719-W727 HydrophobicContact CG2-CZ2 4.4Å; I719-I760 HydrophobicContact CD1-CG2 3.66Å; I719-L764 HydrophobicContact CD1-CD1 4.45Å; I719-L764 HydrophobicContact CD1-CD2 4.1Å; I719-L764 HydrophobicContact CD1-CG 4.45Å; I719-L764 HydrophobicContact CG2-CD2 4.03Å
720Q80.3Confident76.8Confident100 Ų10058.4 Ų58.447%0.46730%0.304SS..Hα-helixtrans-65-21.7179.9-73177.5-9.900114.4K716 R717 L718 E763K716-Q720 VanDerWaalsContact O-CG 3.29Å; K716-Q720 WeakPolarHBondContact O-CG 3.24Å; K716-Q720 PolarHBondContact O-N 3.47Å; R717-Q720 PolarHBondContact O-N 3.03Å; L718-Q720 VanDerWaalsContact C-N 3.33Å; L718-Q720 PolarHBondContact O-N 3.39Å; Q720-E763 PolarHBondContact NE2-OE1 3.47Å; Q720-E763 PolarHBondContact NE2-OE2 2.96Å
721T75.2Confident76.4Confident49 Ų4961.6 Ų61.630%0.30133%0.325SS..Hα-helixtrans-106.8-2.1-174.954.40000114G678 R717 L718 I719G678-T721 PolarHBondContact N-OG1 3.18Å; R717-T721 WeakPolarHBondContact O-CG2 3.4Å; R717-T721 PolarHBondContact O-N 3.24Å; R717-T721 PolarHBondContact O-OG1 3.25Å; L718-T721 PolarHBondContact O-N 3.36Å; L718-T721 VanDerWaalsContact O-N 3.14Å; L718-T721 PolarHBondContact O-OG1 2.9Å; L718-T721 VanDerWaalsContact O-OG1 3.09Å; I719-T721 PolarHBondContact O-N 3.2Å
722T70.7Confident76.2Confident43 Ų4364.5 Ų64.526%0.26434%0.339SS..  trans-107.6121.2-175.7-40.50000110.3L684 L718 I719 Q724L684-T722 HydrophobicContact CD1-CG2 4.1Å; L718-T722 PolarHBondContact O-N 3.1Å; L718-T722 PolarHBondContact O-OG1 3.32Å; I719-T722 PolarHBondContact O-N 2.75Å; T722-Q724 VanDerWaalsContact C-N 3.25Å; T722-Q724 PolarHBondContact O-N 2.83Å
723D61.4Low75.9Confident172 Ų17264.5 Ų64.592%0.9234%0.339SS*.  trans-76.8-3.5-176.6-72.8-26.5000114.3
724Q57.2Low75.6Confident131 Ų13163.5 Ų63.561%0.61234%0.344SS*.  trans-108.6119.7-169.4-67.1-174.71000113.1T722 G726T722-Q724 VanDerWaalsContact C-N 3.25Å; T722-Q724 PolarHBondContact O-N 2.83Å; Q724-G726 VanDerWaalsContact C-N 3.34Å; Q724-G726 PolarHBondContact O-N 3.5Å
725S56.9Low75.3Confident94 Ų9464.2 Ų64.266%0.65735%0.352SS*.G310 helixtrans-82.1-0-179.556.30000115.1W727S725-W727 VanDerWaalsContact C-N 3.28Å; S725-W727 PolarHBondContact O-N 2.9Å
726G60.3Low75.2Confident49 Ų4964.2 Ų64.251%0.50535%0.352SS..G310 helixtrans-72-13.6-17100000115.7Q724Q724-G726 VanDerWaalsContact C-N 3.34Å; Q724-G726 PolarHBondContact O-N 3.5Å
727W72Confident75Confident26 Ų2663.8 Ų63.810%0.09835%0.353CS..G310 helixtrans-83.7-17.6-177.470.1-91.4000113.7L684 L689 I719 S725 E729 C730 L764L684-W727 HydrophobicContact CB-CB 4.06Å; L684-W727 HydrophobicContact CB-CD2 4.43Å; L684-W727 HydrophobicContact CB-CG 3.95Å; L684-W727 HydrophobicContact CD1-CD2 4.23Å; L684-W727 HydrophobicContact CD1-CG 4.08Å; L689-W727 HydrophobicContact CD1-CB 4.25Å; L689-W727 HydrophobicContact CD1-CE3 4.03Å; L689-W727 HydrophobicContact CD2-CE3 3.9Å; L689-W727 HydrophobicContact CD2-CZ3 4.21Å; I719-W727 HydrophobicContact CD1-CH2 4.03Å; I719-W727 HydrophobicContact CD1-CZ2 4.16Å; I719-W727 HydrophobicContact CG1-CH2 4.1Å; I719-W727 HydrophobicContact CG1-CZ2 3.77Å; I719-W727 HydrophobicContact CG2-CZ2 4.4Å; S725-W727 VanDerWaalsContact C-N 3.28Å; S725-W727 PolarHBondContact O-N 2.9Å; W727-E729 VanDerWaalsContact C-N 3.29Å; W727-C730 PolarHBondContact O-SG 3.35Å; W727-L764 HydrophobicContact CH2-CD1 4.2Å; W727-L764 HydrophobicContact CH2-CD2 3.35Å; W727-L764 HydrophobicContact CH2-CG 4.43Å; W727-L764 HydrophobicContact CZ2-CD2 3.37Å
728L71.1Confident75Confident65 Ų6560.8 Ų60.834%0.3435%0.348SS..SBendtrans-71.3-27.6172.8-9192.8000112.2C730 L764L728-C730 VanDerWaalsContact C-N 3.3Å; L728-C730 PolarHBondContact O-N 3.05Å; L728-L764 HydrophobicContact CD1-CD2 3.95Å; L728-L764 HydrophobicContact CD2-CD2 4.49Å
729E71.3Confident75Confident170 Ų17060.9 Ų60.979%0.79435%0.349SS*.SBendtrans-80.2-12.1-174.5-62.2-176.6175.800112.7W727W727-E729 VanDerWaalsContact C-N 3.29Å
730C80.4Confident75.1Confident20 Ų2059.7 Ų59.714%0.13534%0.343CS..SBendtrans-83.3151178.874.80000112.3W727 L728 E732 G733 T734W727-C730 PolarHBondContact O-SG 3.35Å; L728-C730 VanDerWaalsContact C-N 3.3Å; L728-C730 PolarHBondContact O-N 3.05Å; C730-E732 PolarHBondContact O-N 3.07Å; C730-G733 PolarHBondContact O-N 3.45Å; C730-G733 PolarHBondContact SG-N 3.38Å; C730-T734 PolarHBondContact O-N 2.75Å; C730-T734 VanDerWaalsContact O-N 3.1Å
731P79.8Confident75.3Confident93 Ų9359.2 Ų59.260%0.60434%0.341SS*.Hα-helixtrans-60.4-30.7-179.520.4-27.5000112.3T734 G735P731-T734 PolarHBondContact O-OG1 3.47Å; P731-G735 PolarHBondContact O-N 3.35Å
732E82.3Confident75.7Confident61 Ų6162 Ų6229%0.28535%0.353SS..Hα-helixtrans-72.1-32.9176.6-60.478-171.600112.4P686 L689 Q690 C730 G735 L736P686-E732 HydrophobicContact CB-CB 4.33Å; P686-E732 HydrophobicContact CB-CG 4.06Å; P686-E732 WeakPolarHBondContact O-CB 3.32Å; P686-E732 WeakPolarHBondContact O-CG 3.48Å; L689-E732 HydrophobicContact CB-CB 4.08Å; Q690-E732 HydrophobicContact CB-CG 4.49Å; C730-E732 PolarHBondContact O-N 3.07Å; E732-G735 CarbonylContact O-C 3.58Å; E732-G735 PolarHBondContact O-N 3.15Å; E732-L736 PolarHBondContact O-N 3Å
733G79.3Confident76.2Confident0 Ų060 Ų600%034%0.341CS..Hα-helixtrans-70.6-42.6174.600000112.7C730 G735 L736 T737C730-G733 PolarHBondContact O-N 3.45Å; C730-G733 PolarHBondContact SG-N 3.38Å; G733-G735 VanDerWaalsContact C-N 3.26Å; G733-G735 PolarHBondContact O-N 3.1Å; G733-L736 PolarHBondContact O-N 3.06Å; G733-T737 PolarHBondContact O-N 3.3Å; G733-T737 PolarHBondContact O-OG1 3.13Å
734T80.4Confident77.1Confident81 Ų8153.4 Ų53.450%0.49731%0.311SS..Hα-helixtrans-62.8-36.5170.164.10000111.3C730 P731 T737 S738C730-T734 PolarHBondContact O-N 2.75Å; C730-T734 VanDerWaalsContact O-N 3.1Å; P731-T734 PolarHBondContact O-OG1 3.47Å; T734-T737 PolarHBondContact O-N 3.44Å; T734-S738 PolarHBondContact O-N 2.94Å
735G81.4Confident78.2Confident18 Ų1854.5 Ų54.519%0.18632%0.316CS..Hα-helixtrans-65.7-30.8174.200000114.8R697 P731 E732 G733 S738 V739R697-G735 PolarHBondContact NH2-O 2.87Å; R697-G735 VanDerWaalsContact NH2-O 3.12Å; P731-G735 PolarHBondContact O-N 3.35Å; E732-G735 CarbonylContact O-C 3.58Å; E732-G735 PolarHBondContact O-N 3.15Å; G733-G735 VanDerWaalsContact C-N 3.26Å; G733-G735 PolarHBondContact O-N 3.1Å; G735-S738 PolarHBondContact O-OG 2.93Å; G735-V739 WeakPolarHBondContact O-CG2 3.34Å
736L83.6Confident79Confident3 Ų351.8 Ų51.82%0.01630%0.297CS..Hα-helixtrans-75.8-39.5171.5-178.563.9000111.1L689 F692 S693 L696 I715 E732 G733 S738 V739 L740L689-L736 HydrophobicContact CD2-CD2 3.65Å; F692-L736 HydrophobicContact CB-CD1 4.19Å; S693-L736 WeakPolarHBondContact OG-CA 3.34Å; S693-L736 WeakPolarHBondContact OG-CB 3.45Å; S693-L736 WeakPolarHBondContact OG-CD1 3.32Å; L696-L736 HydrophobicContact CD1-CD1 3.99Å; I715-L736 HydrophobicContact CD1-CD1 4.48Å; E732-L736 PolarHBondContact O-N 3Å; G733-L736 PolarHBondContact O-N 3.06Å; L736-S738 VanDerWaalsContact C-N 3.34Å; L736-S738 PolarHBondContact O-N 2.91Å; L736-V739 PolarHBondContact O-N 3.38Å; L736-L740 HydrophobicContact CG-CD1 4.34Å; L736-L740 WeakPolarHBondContact O-CG 3.35Å; L736-L740 PolarHBondContact O-N 2.72Å
737T82.3Confident79.1Confident29 Ų2957.5 Ų57.518%0.17832%0.316CS..Hα-helixtrans-62.5-40.8179.6-54.20000111.5G733 T734 V739 L740 Q741 L761G733-T737 PolarHBondContact O-N 3.3Å; G733-T737 PolarHBondContact O-OG1 3.13Å; T734-T737 PolarHBondContact O-N 3.44Å; T737-V739 PolarHBondContact O-N 3.31Å; T737-L740 PolarHBondContact O-N 3.32Å; T737-Q741 WeakPolarHBondContact O-CG 3.32Å; T737-Q741 PolarHBondContact O-N 3.43Å; T737-L761 HydrophobicContact CG2-CD2 3.82Å
738S83.9Confident78.8Confident45 Ų4566 Ų6632%0.31535%0.348SS..Hα-helixtrans-63.4-39.6174.662.50000112.5T734 G735 L736 L740 Q741 D742T734-S738 PolarHBondContact O-N 2.94Å; G735-S738 PolarHBondContact O-OG 2.93Å; L736-S738 VanDerWaalsContact C-N 3.34Å; L736-S738 PolarHBondContact O-N 2.91Å; S738-L740 VanDerWaalsContact C-N 3.33Å; S738-L740 PolarHBondContact O-N 3.34Å; S738-Q741 PolarHBondContact O-N 3.18Å; S738-D742 VanDerWaalsContact O-CG 3.28Å; S738-D742 PolarHBondContact O-N 3.28Å
739V83.9Confident78.6Confident3 Ų363.6 Ų63.62%0.01834%0.336CS..Hα-helixtrans-64.9-38.6175.2176.60000111.5L696 R697 G735 L736 T737 D742 I743L696-V739 HydrophobicContact CB-CG1 3.78Å; L696-V739 HydrophobicContact CD1-CG1 4.27Å; R697-V739 HydrophobicContact CG-CG1 4.2Å; R697-V739 HydrophobicContact CG-CG2 3.86Å; G735-V739 WeakPolarHBondContact O-CG2 3.34Å; L736-V739 PolarHBondContact O-N 3.38Å; T737-V739 PolarHBondContact O-N 3.31Å; V739-D742 PolarHBondContact O-N 2.97Å; V739-I743 HydrophobicContact CG1-CD1 3.85Å; V739-I743 HydrophobicContact CG1-CG1 4.48Å; V739-I743 WeakPolarHBondContact O-CB 3.1Å; V739-I743 VanDerWaalsContact O-CG1 3.23Å; V739-I743 WeakPolarHBondContact O-CG1 3.26Å; V739-I743 PolarHBondContact O-N 3.48Å
740L83.9Confident78.8Confident1 Ų158 Ų581%0.00532%0.315CS..Hα-helixtrans-66.5-38.5176-68.8172.7000111.7L696 L712 L736 T737 S738 I743 A744 A757 I760 L761L696-L740 HydrophobicContact CD1-CD2 4.28Å; L712-L740 HydrophobicContact CD2-CD2 3.38Å; L736-L740 HydrophobicContact CG-CD1 4.34Å; L736-L740 WeakPolarHBondContact O-CG 3.35Å; L736-L740 PolarHBondContact O-N 2.72Å; T737-L740 PolarHBondContact O-N 3.32Å; S738-L740 VanDerWaalsContact C-N 3.33Å; S738-L740 PolarHBondContact O-N 3.34Å; L740-I743 PolarHBondContact O-N 3.23Å; L740-A744 WeakPolarHBondContact O-CB 3.32Å; L740-A744 PolarHBondContact O-N 2.98Å; L740-A757 HydrophobicContact CD2-CB 4.34Å; L740-I760 HydrophobicContact CD1-CG2 3.96Å; L740-L761 HydrophobicContact CB-CD1 4.29Å; L740-L761 HydrophobicContact CB-CD2 3.94Å; L740-L761 HydrophobicContact CB-CG 4.09Å
741Q83.8Confident78.4Confident91 Ų9160.8 Ų60.843%0.42534%0.339SS..Hα-helixtrans-63.7-47.7173.3-73.8171-10.100111.1T737 S738 I743 A744 E745 L761T737-Q741 WeakPolarHBondContact O-CG 3.32Å; T737-Q741 PolarHBondContact O-N 3.43Å; S738-Q741 PolarHBondContact O-N 3.18Å; Q741-I743 VanDerWaalsContact C-N 3.27Å; Q741-I743 PolarHBondContact O-N 3.44Å; Q741-A744 PolarHBondContact O-N 2.95Å; Q741-A744 VanDerWaalsContact O-N 3.13Å; Q741-E745 WeakPolarHBondContact O-CB 3.17Å; Q741-E745 WeakPolarHBondContact O-CG 3.3Å; Q741-E745 PolarHBondContact O-N 3Å; Q741-L761 HydrophobicContact CG-CD1 3.86Å; Q741-L761 HydrophobicContact CG-CD2 4.06Å
742D83.2Confident78.1Confident106 Ų10659.4 Ų59.457%0.56733%0.327SS*.Hα-helixtrans-57.1-40.9176-71.3-20000111.7S738 V739 S746S738-D742 VanDerWaalsContact O-CG 3.28Å; S738-D742 PolarHBondContact O-N 3.28Å; V739-D742 PolarHBondContact O-N 2.97Å; D742-S746 WeakPolarHBondContact O-CB 3.39Å; D742-S746 PolarHBondContact O-N 2.91Å
743I82.3Confident78Confident2 Ų256.5 Ų56.51%0.0131%0.313CS..Hα-helixtrans-70.9-38.7177.8-69.8169000111.8L696 V739 L740 Q741 V753 A757L696-I743 HydrophobicContact CB-CD1 4.11Å; L696-I743 HydrophobicContact CD1-CD1 4.41Å; L696-I743 HydrophobicContact CD2-CD1 4.25Å; L696-I743 HydrophobicContact CG-CD1 4.5Å; V739-I743 HydrophobicContact CG1-CD1 3.85Å; V739-I743 HydrophobicContact CG1-CG1 4.48Å; V739-I743 WeakPolarHBondContact O-CB 3.1Å; V739-I743 VanDerWaalsContact O-CG1 3.23Å; V739-I743 WeakPolarHBondContact O-CG1 3.26Å; V739-I743 PolarHBondContact O-N 3.48Å; L740-I743 PolarHBondContact O-N 3.23Å; Q741-I743 VanDerWaalsContact C-N 3.27Å; Q741-I743 PolarHBondContact O-N 3.44Å; I743-V753 HydrophobicContact CG2-CG1 3.73Å; I743-A757 HydrophobicContact CB-CB 4.34Å; I743-A757 HydrophobicContact CG2-CB 3.89Å
744A79.9Confident78Confident33 Ų3357.4 Ų57.427%0.27332%0.32SS..Hα-helixtrans-70-33.9179.300000112.6L740 Q741 A757 A758 L761L740-A744 WeakPolarHBondContact O-CB 3.32Å; L740-A744 PolarHBondContact O-N 2.98Å; Q741-A744 PolarHBondContact O-N 2.95Å; Q741-A744 VanDerWaalsContact O-N 3.13Å; A744-A757 HydrophobicContact CB-CB 4.19Å; A744-A758 HydrophobicContact CB-CB 4.39Å; A744-L761 HydrophobicContact CB-CD1 4.11Å
745E79.6Confident78Confident154 Ų15457.2 Ų57.272%0.7232%0.319SS*.Hα-helixtrans-92.6-16.2-177.8-65.2179.6-174.900113.5Q741 N747Q741-E745 WeakPolarHBondContact O-CB 3.17Å; Q741-E745 WeakPolarHBondContact O-CG 3.3Å; Q741-E745 PolarHBondContact O-N 3Å; E745-N747 PolarHBondContact O-N 3.39Å
746S74.4Confident78Confident37 Ų3760.3 Ų60.326%0.25933%0.326SS..  trans-76.2116.9-177.4176.90000113D742 R748 C749D742-S746 WeakPolarHBondContact O-CB 3.39Å; D742-S746 PolarHBondContact O-N 2.91Å; S746-R748 PolarHBondContact O-N 2.95Å; S746-R748 PolarHBondContact OG-N 3.25Å; S746-C749 PolarHBondContact O-N 2.87Å
747N63.1Low77.8Confident170 Ų17060.2 Ų60.291%0.90933%0.325SS*.THydrogen-bonded Turntrans-63.4-5.1169.7-73.6-25.6000114.5E745E745-N747 PolarHBondContact O-N 3.39Å
748R64.2Low77.7Confident204 Ų20460.5 Ų60.577%0.7733%0.33SS*.THydrogen-bonded Turntrans-93.8-13.3179.6-61.4-176.6179-175.90.6113S746S746-R748 PolarHBondContact O-N 2.95Å; S746-R748 PolarHBondContact OG-N 3.25Å
749C68.5Low77.6Confident15 Ų1561.5 Ų61.510%0.10133%0.33CS..SBendtrans-87.9145.1177.3-69.30000111.1S746S746-C749 PolarHBondContact O-N 2.87Å
750P74Confident77.4Confident52 Ų5261.4 Ų61.434%0.33833%0.329SS..  trans-58.1141.9172.6-2940.1000112.4P705 D752 V753 A754P705-P750 HydrophobicContact CB-CB 4.39Å; P705-P750 HydrophobicContact CB-CG 3.79Å; P705-P750 HydrophobicContact CG-CB 4.28Å; P705-P750 HydrophobicContact CG-CG 3.79Å; P750-D752 VanDerWaalsContact CB-OD1 3.31Å; P750-D752 WeakPolarHBondContact CB-OD1 3.39Å; P750-D752 PolarHBondContact O-N 2.83Å; P750-D752 VanDerWaalsContact O-N 3.13Å; P750-V753 HydrophobicContact CB-CG2 4.27Å; P750-V753 WeakPolarHBondContact O-CB 3.27Å; P750-V753 PolarHBondContact O-N 3Å; P750-A754 PolarHBondContact O-N 3.18Å; P750-A754 VanDerWaalsContact O-N 3.11Å
751A72.1Confident77.2Confident78 Ų7863 Ų6365%0.64534%0.338SS*.Hα-helixtrans-57.4-32.6-172.400000113.7T755A751-T755 WeakPolarHBondContact O-CB 3.45Å; A751-T755 PolarHBondContact O-N 2.81Å; A751-T755 PolarHBondContact O-OG1 3.35Å
752D74.8Confident76.9Confident65 Ų6564.7 Ų64.735%0.34835%0.345SS..Hα-helixtrans-71.7-28177.562.4-18.8000113.4R709 P750 R756R709-D752 WeakPolarHBondContact CD-OD2 3.27Å; R709-D752 IonicContact CZ-OD2 3.41Å; R709-D752 IonicContact NE-OD2 2.76Å; R709-D752 IonicContact NH1-OD2 2.93Å; R709-D752 PolarHBondContact NH1-OD2 2.94Å; P750-D752 VanDerWaalsContact CB-OD1 3.31Å; P750-D752 WeakPolarHBondContact CB-OD1 3.39Å; P750-D752 PolarHBondContact O-N 2.83Å; P750-D752 VanDerWaalsContact O-N 3.13Å; D752-R756 WeakPolarHBondContact O-CG 3.48Å; D752-R756 PolarHBondContact O-N 3.36Å
753V79.5Confident76.4Confident0 Ų063.3 Ų63.30%034%0.336CS..Hα-helixtrans-75.8-48.4173.4179.80000110.4P705 Q708 R709 L712 I743 P750 T755 R756 A757P705-V753 HydrophobicContact CB-CG2 3.78Å; Q708-V753 HydrophobicContact CB-CG1 4.25Å; R709-V753 HydrophobicContact CG-CG2 3.57Å; L712-V753 HydrophobicContact CD1-CG1 3.68Å; I743-V753 HydrophobicContact CG2-CG1 3.73Å; P750-V753 HydrophobicContact CB-CG2 4.27Å; P750-V753 WeakPolarHBondContact O-CB 3.27Å; P750-V753 PolarHBondContact O-N 3Å; V753-T755 VanDerWaalsContact C-N 3.35Å; V753-T755 PolarHBondContact O-N 2.92Å; V753-R756 PolarHBondContact O-N 2.7Å; V753-A757 PolarHBondContact O-N 3.39Å
754A78.8Confident75.9Confident18 Ų1864.8 Ų64.815%0.14934%0.344CS..Hα-helixtrans-61.4-42.2179.900000111.9P750 R756 A757 A758P750-A754 PolarHBondContact O-N 3.18Å; P750-A754 VanDerWaalsContact O-N 3.11Å; A754-R756 PolarHBondContact O-N 3.02Å; A754-A757 PolarHBondContact O-N 3.13Å; A754-A758 PolarHBondContact O-N 3.36Å
755T81.1Confident75.1Confident78 Ų7867.3 Ų67.348%0.47936%0.359SS..Hα-helixtrans-61.8-42.8177.1-52.10000111.6A751 V753 A758 E759A751-T755 WeakPolarHBondContact O-CB 3.45Å; A751-T755 PolarHBondContact O-N 2.81Å; A751-T755 PolarHBondContact O-OG1 3.35Å; V753-T755 VanDerWaalsContact C-N 3.35Å; V753-T755 PolarHBondContact O-N 2.92Å; T755-A758 PolarHBondContact O-N 3.32Å; T755-E759 WeakPolarHBondContact O-CG 2.84Å; T755-E759 PolarHBondContact O-N 2.84Å
756R80.6Confident73.9Confident83 Ų8363.4 Ų63.431%0.31336%0.36SS..Hα-helixtrans-68.8-36.1178.5-76.5176.9173.6-82.2-2113.1L712 D752 V753 A754 A758 E759 I760L712-R756 HydrophobicContact CD1-CB 4.19Å; D752-R756 WeakPolarHBondContact O-CG 3.48Å; D752-R756 PolarHBondContact O-N 3.36Å; V753-R756 PolarHBondContact O-N 2.7Å; A754-R756 PolarHBondContact O-N 3.02Å; R756-A758 VanDerWaalsContact C-N 3.34Å; R756-E759 PolarHBondContact O-N 3.09Å; R756-I760 VanDerWaalsContact O-CG1 3.31Å; R756-I760 WeakPolarHBondContact O-CG1 3.36Å; R756-I760 PolarHBondContact O-N 3.33Å; R756-I760 VanDerWaalsContact O-N 3.15Å
757A79.5Confident72.1Confident0 Ų069.6 Ų69.60%040%0.403CS..Hα-helixtrans-64.3-42.1173.600000110.9L712 L740 I743 A744 V753 A754 I760 L761L712-A757 HydrophobicContact CD1-CB 4.37Å; L740-A757 HydrophobicContact CD2-CB 4.34Å; I743-A757 HydrophobicContact CB-CB 4.34Å; I743-A757 HydrophobicContact CG2-CB 3.89Å; A744-A757 HydrophobicContact CB-CB 4.19Å; V753-A757 PolarHBondContact O-N 3.39Å; A754-A757 PolarHBondContact O-N 3.13Å; A757-I760 PolarHBondContact O-N 3.02Å; A757-L761 WeakPolarHBondContact O-CG 3.29Å; A757-L761 PolarHBondContact O-N 3.19Å
758A80.3Confident72.6Confident35 Ų3564.6 Ų64.629%0.28938%0.378SS..Hα-helixtrans-63-40.6174.500000112.9A744 A754 T755 R756 I760 L761 Q762A744-A758 HydrophobicContact CB-CB 4.39Å; A754-A758 PolarHBondContact O-N 3.36Å; T755-A758 PolarHBondContact O-N 3.32Å; R756-A758 VanDerWaalsContact C-N 3.34Å; A758-I760 VanDerWaalsContact C-N 3.34Å; A758-I760 PolarHBondContact O-N 3.33Å; A758-L761 PolarHBondContact O-N 3.31Å; A758-Q762 WeakPolarHBondContact O-CG 3.41Å; A758-Q762 PolarHBondContact O-N 2.97Å
759E81.6Confident73Confident67 Ų6757.2 Ų57.231%0.31336%0.357SS..Hα-helixtrans-59.9-41.8174.2-74.8174.2-16300112.4K716 T755 R756 Q762 E763K716-E759 IonicContact NZ-OE2 3.59Å; K716-E759 PolarHBondContact NZ-OE2 3.06Å; T755-E759 WeakPolarHBondContact O-CG 2.84Å; T755-E759 PolarHBondContact O-N 2.84Å; R756-E759 PolarHBondContact O-N 3.09Å; E759-Q762 PolarHBondContact O-N 2.98Å; E759-E763 PolarHBondContact O-N 3.26Å
760I81.3Confident73.3Confident1 Ų159.6 Ų59.61%0.00537%0.371CS..Hα-helixtrans-67-43177.9-65.6163.9000110.2L712 I715 K716 I719 L740 R756 A757 A758 Q762 E763 L764L712-I760 HydrophobicContact CB-CD1 4.09Å; L712-I760 HydrophobicContact CD2-CD1 3.98Å; L712-I760 WeakPolarHBondContact O-CD1 3.47Å; I715-I760 HydrophobicContact CG2-CD1 4.46Å; I715-I760 HydrophobicContact CG2-CG2 4.4Å; K716-I760 HydrophobicContact CB-CD1 3.97Å; K716-I760 HydrophobicContact CB-CG1 3.76Å; K716-I760 HydrophobicContact CD-CG1 4.33Å; K716-I760 HydrophobicContact CG-CG1 4.01Å; I719-I760 HydrophobicContact CD1-CG2 3.66Å; L740-I760 HydrophobicContact CD1-CG2 3.96Å; R756-I760 VanDerWaalsContact O-CG1 3.31Å; R756-I760 WeakPolarHBondContact O-CG1 3.36Å; R756-I760 PolarHBondContact O-N 3.33Å; R756-I760 VanDerWaalsContact O-N 3.15Å; A757-I760 PolarHBondContact O-N 3.02Å; A758-I760 VanDerWaalsContact C-N 3.34Å; A758-I760 PolarHBondContact O-N 3.33Å; I760-Q762 VanDerWaalsContact C-N 3.29Å; I760-Q762 PolarHBondContact O-N 3.26Å; I760-E763 PolarHBondContact O-N 2.98Å; I760-L764 HydrophobicContact CG2-CD1 3.93Å; I760-L764 HydrophobicContact CG2-CG 4.42Å; I760-L764 VanDerWaalsContact O-CG 3.23Å; I760-L764 WeakPolarHBondContact O-CG 3.06Å; I760-L764 PolarHBondContact O-N 2.99Å
761L78.6Confident73.2Confident34 Ų3460 Ų6018%0.17837%0.373CS..Hα-helixtrans-61.7-36.8176-71.4169.5000112.2T737 L740 Q741 A744 A757 A758 L764 S765T737-L761 HydrophobicContact CG2-CD2 3.82Å; L740-L761 HydrophobicContact CB-CD1 4.29Å; L740-L761 HydrophobicContact CB-CD2 3.94Å; L740-L761 HydrophobicContact CB-CG 4.09Å; Q741-L761 HydrophobicContact CG-CD1 3.86Å; Q741-L761 HydrophobicContact CG-CD2 4.06Å; A744-L761 HydrophobicContact CB-CD1 4.11Å; A757-L761 WeakPolarHBondContact O-CG 3.29Å; A757-L761 PolarHBondContact O-N 3.19Å; A758-L761 PolarHBondContact O-N 3.31Å; L761-L764 PolarHBondContact O-N 3.46Å; L761-S765 WeakPolarHBondContact O-CB 3.3Å; L761-S765 PolarHBondContact O-N 3.04Å; L761-S765 PolarHBondContact O-OG 3.16Å
762Q77.1Confident73.3Confident126 Ų12658.9 Ų58.959%0.58936%0.357SS*.Hα-helixtrans-64.5-47.6174.1-76.5176.4-1.400111.7A758 E759 I760 L764 S765 G766A758-Q762 WeakPolarHBondContact O-CG 3.41Å; A758-Q762 PolarHBondContact O-N 2.97Å; E759-Q762 PolarHBondContact O-N 2.98Å; I760-Q762 VanDerWaalsContact C-N 3.29Å; I760-Q762 PolarHBondContact O-N 3.26Å; Q762-L764 VanDerWaalsContact C-N 3.25Å; Q762-L764 PolarHBondContact O-N 3.29Å; Q762-S765 WeakPolarHBondContact CA-OG 3.28Å; Q762-S765 PolarHBondContact O-N 3.45Å; Q762-S765 VanDerWaalsContact O-N 3.16Å; Q762-S765 PolarHBondContact O-OG 3.24Å; Q762-G766 PolarHBondContact O-N 3.29Å
763E73.9Confident73.2Confident77 Ų7758.5 Ų58.536%0.3636%0.357SS..Hα-helixtrans-59.4-35175.7-76.4179.7179.800112.2K716 Q720 E759 I760K716-E763 VanDerWaalsContact CE-CD 3.5Å; K716-E763 WeakPolarHBondContact CE-OE1 3.34Å; K716-E763 WeakPolarHBondContact CE-OE2 3.32Å; K716-E763 WeakPolarHBondContact CG-OE2 3.33Å; K716-E763 IonicContact NZ-OE1 3.27Å; Q720-E763 PolarHBondContact NE2-OE1 3.47Å; Q720-E763 PolarHBondContact NE2-OE2 2.96Å; E759-E763 PolarHBondContact O-N 3.26Å; I760-E763 PolarHBondContact O-N 2.98Å
764L71.3Confident72.8Confident34 Ų3462.6 Ų62.618%0.17838%0.383CS..Hα-helixtrans-74.4-30.1177.1-68.6169.4000113.8I719 W727 L728 I760 L761 Q762 G766I719-L764 HydrophobicContact CD1-CD1 4.45Å; I719-L764 HydrophobicContact CD1-CD2 4.1Å; I719-L764 HydrophobicContact CD1-CG 4.45Å; I719-L764 HydrophobicContact CG2-CD2 4.03Å; W727-L764 HydrophobicContact CH2-CD1 4.2Å; W727-L764 HydrophobicContact CH2-CD2 3.35Å; W727-L764 HydrophobicContact CH2-CG 4.43Å; W727-L764 HydrophobicContact CZ2-CD2 3.37Å; L728-L764 HydrophobicContact CD1-CD2 3.95Å; L728-L764 HydrophobicContact CD2-CD2 4.49Å; I760-L764 HydrophobicContact CG2-CD1 3.93Å; I760-L764 HydrophobicContact CG2-CG 4.42Å; I760-L764 VanDerWaalsContact O-CG 3.23Å; I760-L764 WeakPolarHBondContact O-CG 3.06Å; I760-L764 PolarHBondContact O-N 2.99Å; L761-L764 PolarHBondContact O-N 3.46Å; Q762-L764 VanDerWaalsContact C-N 3.25Å; Q762-L764 PolarHBondContact O-N 3.29Å; L764-G766 VanDerWaalsContact C-N 3.28Å; L764-G766 PolarHBondContact O-N 2.78Å
765S62.5Low72.3Confident86 Ų8666.1 Ų66.160%0.60140%0.401SS*.Hα-helixtrans-80.5-4.8-179.365.90000114.3L761 Q762L761-S765 WeakPolarHBondContact O-CB 3.3Å; L761-S765 PolarHBondContact O-N 3.04Å; L761-S765 PolarHBondContact O-OG 3.16Å; Q762-S765 WeakPolarHBondContact CA-OG 3.28Å; Q762-S765 PolarHBondContact O-N 3.45Å; Q762-S765 VanDerWaalsContact O-N 3.16Å; Q762-S765 PolarHBondContact O-OG 3.24Å
766G54.9Low71.6Confident72 Ų7265.1 Ų65.174%0.74239%0.394SS*.THydrogen-bonded Turntrans64.847.8176.600000114.1Q762 L764Q762-G766 PolarHBondContact O-N 3.29Å; L764-G766 VanDerWaalsContact C-N 3.28Å; L764-G766 PolarHBondContact O-N 2.78Å
767S37.5Very low70.8Confident166 Ų16663.5 Ų63.5100%1.16140%0.402SS*.  trans-102.80169.6-177.60000113

Retrieved 767 of 767 residues in 618.3 ms (Link to these results)

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