A0A077ZHZ6_TRITR Loading...

E3 SUMO-protein ligase NSE2

AlphaFold DB , UniProt , Accession A0A077ZHZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 513 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
1M37.8Very low62.9Low238 Ų23883 Ų83100%1.17242%0.421SS*.  092.40-161.7176.5-157.200105L3M1-L3 PolarHBondContact O-N 3.12Å
2Y51Low63.2Low134 Ų13477.7 Ų77.753%0.52539%0.393SS..  trans-80.6116.8-175.5-79.3-71.7000109S4 A36Y2-S4 PolarHBondContact O-N 3.17Å; Y2-S4 VanDerWaalsContact O-N 3.13Å; Y2-A36 HydrophobicContact CD1-CB 4.12Å; Y2-A36 HydrophobicContact CE1-CB 3.12Å; Y2-A36 HydrophobicContact CE2-CB 4.2Å; Y2-A36 WeakPolarHBondContact OH-CA 3.43Å; Y2-A36 WeakPolarHBondContact OH-CB 3.47Å
3L54Low63.7Low101 Ų10181.2 Ų81.253%0.52941%0.407SS..  trans-61.4113.2159.9-79.6161.9000106M1 V5M1-L3 PolarHBondContact O-N 3.12Å; L3-V5 PolarHBondContact O-N 3.17Å
4S65.7Low64Low27 Ų2780 Ų8019%0.18943%0.426CS..  trans-56.9139.7174177.90000107.8Y2 E6 S7 T8Y2-S4 PolarHBondContact O-N 3.17Å; Y2-S4 VanDerWaalsContact O-N 3.13Å; S4-E6 PolarHBondContact O-N 3.04Å; S4-E6 VanDerWaalsContact OG-CB 3.29Å; S4-E6 WeakPolarHBondContact OG-CB 3.34Å; S4-E6 WeakPolarHBondContact OG-CG 3.17Å; S4-E6 PolarHBondContact OG-N 2.83Å; S4-E6 PolarHBondContact OG-OE2 3Å; S4-S7 WeakPolarHBondContact O-CA 3.43Å; S4-S7 VanDerWaalsContact O-CB 3.28Å; S4-S7 WeakPolarHBondContact O-CB 3.49Å; S4-S7 PolarHBondContact O-N 3.14Å; S4-T8 PolarHBondContact O-N 3.48Å
5V68.8Low64.3Low2 Ų282.9 Ų82.91%0.01243%0.429CS..Hα-helixtrans-53-28.3168.6168.10000110.7L3 S7 T8 V9 D83 V87 Y107L3-V5 PolarHBondContact O-N 3.17Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 3.3Å; V5-T8 PolarHBondContact O-N 3.38Å; V5-V9 HydrophobicContact CG1-CG2 4.01Å; V5-V9 VanDerWaalsContact O-CB 3.31Å; V5-V9 WeakPolarHBondContact O-CB 3.42Å; V5-V9 WeakPolarHBondContact O-CG2 3.21Å; V5-V9 PolarHBondContact O-N 3.48Å; V5-D83 HydrophobicContact CB-CB 4.42Å; V5-D83 HydrophobicContact CG2-CB 3.41Å; V5-D83 VanDerWaalsContact CG2-CB 3.41Å; V5-V87 HydrophobicContact CG2-CG2 4.16Å; V5-Y107 HydrophobicContact CG1-CE1 4.28Å; V5-Y107 HydrophobicContact CG1-CE2 4.22Å
6E69.7Low64.2Low103 Ų10388.6 Ų88.648%0.48146%0.46SS..Hα-helixtrans-59.1-41.7171.2-61.2164.7153.400112.2S4 V9 L10 Y107S4-E6 PolarHBondContact O-N 3.04Å; S4-E6 VanDerWaalsContact OG-CB 3.29Å; S4-E6 WeakPolarHBondContact OG-CB 3.34Å; S4-E6 WeakPolarHBondContact OG-CG 3.17Å; S4-E6 PolarHBondContact OG-N 2.83Å; S4-E6 PolarHBondContact OG-OE2 3Å; E6-V9 PolarHBondContact O-N 3.11Å; E6-L10 WeakPolarHBondContact O-CB 3.44Å; E6-L10 WeakPolarHBondContact O-CG 3.5Å; E6-L10 PolarHBondContact O-N 3.02Å; E6-Y107 HydrophobicContact CG-CE1 4.17Å
7S71Confident63.9Low50 Ų5088.8 Ų88.835%0.3547%0.471SS..Hα-helixtrans-66-41.4176-53.70000111.2S4 V5 L10 L11S4-S7 WeakPolarHBondContact O-CA 3.43Å; S4-S7 VanDerWaalsContact O-CB 3.28Å; S4-S7 WeakPolarHBondContact O-CB 3.49Å; S4-S7 PolarHBondContact O-N 3.14Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 3.3Å; S7-L10 PolarHBondContact O-N 3.48Å; S7-L11 WeakPolarHBondContact O-CG 3.09Å; S7-L11 PolarHBondContact O-N 3.01Å
8T67.9Low63.8Low18 Ų1889 Ų8911%0.1147%0.465CS..Hα-helixtrans-66.5-42.6177.2-45.30000111.6S4 V5 L10 L11 F12 L29S4-T8 PolarHBondContact O-N 3.48Å; V5-T8 PolarHBondContact O-N 3.38Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 3.38Å; T8-L11 WeakPolarHBondContact O-CB 3.17Å; T8-L11 PolarHBondContact O-N 3.46Å; T8-F12 HydrophobicContact CG2-CD2 3.9Å; T8-F12 HydrophobicContact CG2-CE2 3.45Å; T8-F12 VanDerWaalsContact CG2-CE2 3.45Å; T8-F12 HydrophobicContact CG2-CZ 4.45Å; T8-F12 WeakPolarHBondContact O-CD2 3.49Å; T8-F12 PolarHBondContact O-N 3Å; T8-L29 HydrophobicContact CG2-CD2 3.52Å
9V67.5Low63.9Low13 Ų1385.7 Ų85.78%0.07946%0.455CS..Hα-helixtrans-57-47.6173.6161.30000110.9V5 E6 L11 F12 Q13 M90 M104V5-V9 HydrophobicContact CG1-CG2 4.01Å; V5-V9 VanDerWaalsContact O-CB 3.31Å; V5-V9 WeakPolarHBondContact O-CB 3.42Å; V5-V9 WeakPolarHBondContact O-CG2 3.21Å; V5-V9 PolarHBondContact O-N 3.48Å; E6-V9 PolarHBondContact O-N 3.11Å; V9-L11 VanDerWaalsContact C-N 3.28Å; V9-L11 PolarHBondContact O-N 3.38Å; V9-F12 PolarHBondContact O-N 3.37Å; V9-F12 VanDerWaalsContact O-N 3.11Å; V9-Q13 WeakPolarHBondContact O-CG 3.44Å; V9-Q13 PolarHBondContact O-N 3.4Å; V9-M90 HydrophobicContact CG2-CE 3.48Å; V9-M90 VanDerWaalsContact CG2-CE 3.48Å; V9-M104 HydrophobicContact CB-SD 4.01Å; V9-M104 HydrophobicContact CG1-CE 4.28Å; V9-M104 HydrophobicContact CG1-CG 4.39Å; V9-M104 HydrophobicContact CG1-SD 3.2Å; V9-M104 WeakPolarHBondContact CG1-SD 3.46Å; V9-M104 HydrophobicContact CG2-CE 3.6Å; V9-M104 HydrophobicContact CG2-SD 3.53Å; V9-M104 VanDerWaalsContact CG2-SD 3.53Å
10L71.1Confident63.9Low113 Ų11387.3 Ų87.359%0.59247%0.47SS*.Hα-helixtrans-63.2-36.8178.9-73.1169.1000111.6E6 S7 T8 F12 Q13 G14E6-L10 WeakPolarHBondContact O-CB 3.44Å; E6-L10 WeakPolarHBondContact O-CG 3.5Å; E6-L10 PolarHBondContact O-N 3.02Å; S7-L10 PolarHBondContact O-N 3.48Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 3.38Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.48Å; L10-Q13 PolarHBondContact O-N 3.41Å; L10-G14 PolarHBondContact O-N 3.19Å
11L67.6Low64.3Low114 Ų11488.7 Ų88.760%0.59748%0.478SS*.Hα-helixtrans-64-36173.6-73.1169000112.4S7 T8 V9S7-L11 WeakPolarHBondContact O-CG 3.09Å; S7-L11 PolarHBondContact O-N 3.01Å; T8-L11 WeakPolarHBondContact O-CB 3.17Å; T8-L11 PolarHBondContact O-N 3.46Å; V9-L11 VanDerWaalsContact C-N 3.28Å; V9-L11 PolarHBondContact O-N 3.38Å
12F66.8Low66.3Low19 Ų1978 Ų788%0.08343%0.425CS..Hα-helixtrans-73.7-31.8176.5-77-62.7000113.5T8 V9 L10 G14 Y18 N22 I26T8-F12 HydrophobicContact CG2-CD2 3.9Å; T8-F12 HydrophobicContact CG2-CE2 3.45Å; T8-F12 VanDerWaalsContact CG2-CE2 3.45Å; T8-F12 HydrophobicContact CG2-CZ 4.45Å; T8-F12 WeakPolarHBondContact O-CD2 3.49Å; T8-F12 PolarHBondContact O-N 3Å; V9-F12 PolarHBondContact O-N 3.37Å; V9-F12 VanDerWaalsContact O-N 3.11Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.48Å; F12-G14 VanDerWaalsContact C-N 3.25Å; F12-G14 PolarHBondContact O-N 3Å; F12-Y18 HydrophobicContact CD1-CE1 4.25Å; F12-N22 HydrophobicContact CE1-CB 4.5Å; F12-I26 HydrophobicContact CZ-CG1 4.14Å
13Q69.3Low67.9Low123 Ų12375.2 Ų75.258%0.57542%0.419SS*.Hα-helixtrans-68-24.3177.1-73.7-179.1-7.700113.2V9 L10V9-Q13 WeakPolarHBondContact O-CG 3.44Å; V9-Q13 PolarHBondContact O-N 3.4Å; L10-Q13 PolarHBondContact O-N 3.41Å
14G68.5Low69.5Low65 Ų6574.8 Ų74.867%0.6742%0.421SS*.THydrogen-bonded Turntrans-90.7-3.9-178.300000115.8L10 F12L10-G14 PolarHBondContact O-N 3.19Å; F12-G14 VanDerWaalsContact C-N 3.25Å; F12-G14 PolarHBondContact O-N 3Å
15R68.4Low70.5Confident123 Ų12377.3 Ų77.346%0.46443%0.43SS..  trans-105.5104.7-178.8-75.5-175.4177.5170.31.2110.4S17 E25R15-S17 PolarHBondContact O-N 3.48Å; R15-E25 IonicContact NH1-OE1 3.17Å; R15-E25 PolarHBondContact NH1-OE1 3.49Å; R15-E25 VanDerWaalsContact NH1-OE1 3.17Å; R15-E25 IonicContact NH1-OE2 3.17Å; R15-E25 PolarHBondContact NH1-OE2 3.02Å; R15-E25 VanDerWaalsContact NH1-OE2 3.17Å; R15-E25 IonicContact NH2-OE1 3.89Å
16D61.4Low71.4Confident174 Ų17477.8 Ų77.893%0.9343%0.432SS*.SBendtrans-67.70.3177.1-67.7-32.1000114.5
17S59.4Low72.4Confident93 Ų9377.2 Ų77.265%0.6543%0.43SS*.  trans-139.7111.4179.9-176.80000111.2R15 G19R15-S17 PolarHBondContact O-N 3.48Å; S17-G19 PolarHBondContact O-N 2.99Å; S17-G19 VanDerWaalsContact O-N 3.12Å
18Y62.4Low73.4Confident92 Ų9277.7 Ų77.736%0.36143%0.433SS..  trans-77.589.8172.3-76.8-100.1000109.4F12 N22 M100F12-Y18 HydrophobicContact CD1-CE1 4.25Å; Y18-N22 WeakPolarHBondContact CD1-ND2 3.2Å; Y18-M100 HydrophobicContact CE1-CE 4.42Å
19G66.3Low74.4Confident27 Ų2777.5 Ų77.528%0.27843%0.431SS..  trans-75.1161175.200000113S17 N21 N22S17-G19 PolarHBondContact O-N 2.99Å; S17-G19 VanDerWaalsContact O-N 3.12Å; G19-N21 PolarHBondContact O-N 3.48Å; G19-N22 PolarHBondContact O-N 3.34Å; G19-N22 VanDerWaalsContact O-N 3.14Å
20P63.8Low75.5Confident117 Ų11778 Ų7876%0.7643%0.433SS*.THydrogen-bonded Turntrans-57.9-16.817722.1-32.6000114.4N22P20-N22 PolarHBondContact O-N 3.4Å
21N72.5Confident76.4Confident116 Ų11677.1 Ų77.162%0.6243%0.429SS*.THydrogen-bonded Turntrans-70.9-10.8177.3-65.8-5000114G19 N23 T24 E25G19-N21 PolarHBondContact O-N 3.48Å; N21-N23 VanDerWaalsContact C-N 3.29Å; N21-N23 PolarHBondContact O-N 3.02Å; N21-T24 PolarHBondContact O-N 2.96Å; N21-T24 PolarHBondContact O-OG1 3.05Å; N21-E25 PolarHBondContact O-N 3.06Å
22N78.9Confident77.5Confident14 Ų1475.3 Ų75.38%0.07542%0.418CS..Hα-helixtrans-69.2-28.1-177.8-69.87.6000112.6F12 Y18 G19 P20 T24 E25 I26F12-N22 HydrophobicContact CE1-CB 4.5Å; Y18-N22 WeakPolarHBondContact CD1-ND2 3.2Å; G19-N22 PolarHBondContact O-N 3.34Å; G19-N22 VanDerWaalsContact O-N 3.14Å; P20-N22 PolarHBondContact O-N 3.4Å; N22-T24 PolarHBondContact O-N 2.85Å; N22-E25 PolarHBondContact O-N 3.47Å; N22-I26 WeakPolarHBondContact O-CB 3.31Å; N22-I26 WeakPolarHBondContact O-CD1 3.17Å; N22-I26 WeakPolarHBondContact O-CG1 3.28Å; N22-I26 PolarHBondContact O-N 2.97Å
23N84.6Confident78.5Confident75 Ų7574.9 Ų74.940%0.40142%0.416SS..Hα-helixtrans-66.3-38.8-179.8-76.4-20.9000112.3N21 I26 E27N21-N23 VanDerWaalsContact C-N 3.29Å; N21-N23 PolarHBondContact O-N 3.02Å; N23-I26 PolarHBondContact O-N 2.89Å; N23-E27 WeakPolarHBondContact O-CG 3.39Å; N23-E27 PolarHBondContact O-N 3.19Å
24T87.5Confident79.4Confident93 Ų9371.5 Ų71.557%0.57140%0.402SS*.Hα-helixtrans-69.9-37.7177.344.40000112.1N21 N22 E27 S28N21-T24 PolarHBondContact O-N 2.96Å; N21-T24 PolarHBondContact O-OG1 3.05Å; N22-T24 PolarHBondContact O-N 2.85Å; T24-E27 PolarHBondContact O-N 3.04Å; T24-S28 WeakPolarHBondContact O-CB 3.18Å; T24-S28 PolarHBondContact O-N 3.45Å
25E88.3Confident80.4Confident80 Ų8071.8 Ų71.837%0.37439%0.388SS..Hα-helixtrans-64.9-42.4175-68.7-180174.400111R15 N21 N22 S28 L29R15-E25 IonicContact NH1-OE1 3.17Å; R15-E25 PolarHBondContact NH1-OE1 3.49Å; R15-E25 VanDerWaalsContact NH1-OE1 3.17Å; R15-E25 IonicContact NH1-OE2 3.17Å; R15-E25 PolarHBondContact NH1-OE2 3.02Å; R15-E25 VanDerWaalsContact NH1-OE2 3.17Å; R15-E25 IonicContact NH2-OE1 3.89Å; N21-E25 PolarHBondContact O-N 3.06Å; N22-E25 PolarHBondContact O-N 3.47Å; E25-S28 PolarHBondContact O-N 3.43Å; E25-L29 PolarHBondContact O-N 3.45Å
26I87.5Confident81.3Confident11 Ų1166 Ų666%0.05637%0.367CS..Hα-helixtrans-63.7-44.4177-71.3169.3000111.5F12 N22 N23 L29 I30 V87 K91F12-I26 HydrophobicContact CZ-CG1 4.14Å; N22-I26 WeakPolarHBondContact O-CB 3.31Å; N22-I26 WeakPolarHBondContact O-CD1 3.17Å; N22-I26 WeakPolarHBondContact O-CG1 3.28Å; N22-I26 PolarHBondContact O-N 2.97Å; N23-I26 PolarHBondContact O-N 2.89Å; I26-L29 PolarHBondContact O-N 3.34Å; I26-I30 HydrophobicContact CG2-CD1 4.03Å; I26-I30 WeakPolarHBondContact O-CG1 3.43Å; I26-I30 PolarHBondContact O-N 3.41Å; I26-V87 HydrophobicContact CG2-CG1 3.81Å; I26-K91 HydrophobicContact CD1-CB 4.39Å; I26-K91 HydrophobicContact CG2-CB 4.1Å; I26-K91 HydrophobicContact CG2-CD 4.38Å; I26-K91 HydrophobicContact CG2-CG 4.4Å
27E90Very high82.5Confident92 Ų9259.3 Ų59.343%0.4334%0.335SS..Hα-helixtrans-65.5-39.3177.6-75.9177.1-177.900112.2N23 T24 L29 I30 N31 K91N23-E27 WeakPolarHBondContact O-CG 3.39Å; N23-E27 PolarHBondContact O-N 3.19Å; T24-E27 PolarHBondContact O-N 3.04Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.22Å; E27-I30 PolarHBondContact O-N 2.78Å; E27-N31 VanDerWaalsContact O-CG 3.31Å; E27-N31 PolarHBondContact O-N 3.48Å; E27-N31 PolarHBondContact O-ND2 3.29Å; E27-K91 IonicContact OE1-NZ 2.66Å; E27-K91 PolarHBondContact OE1-NZ 2.82Å
28S91.6Very high83.8Confident59 Ų5962.3 Ų62.341%0.41333%0.332SS..Hα-helixtrans-57.5-46.7172.5-167.60000111.4T24 E25 I30 N31 E32T24-S28 WeakPolarHBondContact O-CB 3.18Å; T24-S28 PolarHBondContact O-N 3.45Å; E25-S28 PolarHBondContact O-N 3.43Å; S28-I30 PolarHBondContact O-N 3.13Å; S28-N31 PolarHBondContact O-N 2.78Å; S28-E32 WeakPolarHBondContact O-CG 3.34Å; S28-E32 PolarHBondContact O-N 3.04Å
29L89.3Confident84.9Confident15 Ų1562.1 Ų62.18%0.07934%0.338CS..Hα-helixtrans-65.5-37.3179.7-173.564.7000112.6T8 E25 I26 E27 N31 E32 L33 V87T8-L29 HydrophobicContact CG2-CD2 3.52Å; E25-L29 PolarHBondContact O-N 3.45Å; I26-L29 PolarHBondContact O-N 3.34Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.22Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-E32 PolarHBondContact O-N 3.3Å; L29-L33 HydrophobicContact CG-CD1 4.5Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.01Å; L29-V87 HydrophobicContact CB-CG1 4.47Å; L29-V87 HydrophobicContact CD2-CB 4.49Å; L29-V87 HydrophobicContact CD2-CG1 4.03Å; L29-V87 HydrophobicContact CD2-CG2 3.56Å; L29-V87 HydrophobicContact CG-CG1 4.43Å; L29-V87 HydrophobicContact CG-CG2 4.3Å
30I89.7Confident85.9Confident22 Ų2262.2 Ų62.211%0.11333%0.332CS..Hα-helixtrans-61.9-43.1174.5-70.3168.4000110.5I26 E27 S28 L33 D34 V87 Q88I26-I30 HydrophobicContact CG2-CD1 4.03Å; I26-I30 WeakPolarHBondContact O-CG1 3.43Å; I26-I30 PolarHBondContact O-N 3.41Å; E27-I30 PolarHBondContact O-N 2.78Å; S28-I30 PolarHBondContact O-N 3.13Å; I30-L33 PolarHBondContact O-N 3.32Å; I30-D34 PolarHBondContact O-N 3.14Å; I30-V87 HydrophobicContact CD1-CG1 4.19Å; I30-V87 HydrophobicContact CG1-CB 4.48Å; I30-V87 HydrophobicContact CG1-CG1 3.67Å; I30-Q88 HydrophobicContact CD1-CG 3.81Å; I30-Q88 HydrophobicContact CG1-CG 4.46Å
31N90.2Very high86.9Confident96 Ų9659.8 Ų59.851%0.51331%0.312SS..Hα-helixtrans-65.5-42.4178-67.4-26.7000111.6E27 S28 L29 L33 D34 D35E27-N31 VanDerWaalsContact O-CG 3.31Å; E27-N31 PolarHBondContact O-N 3.48Å; E27-N31 PolarHBondContact O-ND2 3.29Å; S28-N31 PolarHBondContact O-N 2.78Å; L29-N31 VanDerWaalsContact C-N 3.32Å; N31-L33 VanDerWaalsContact C-N 3.3Å; N31-L33 PolarHBondContact O-N 3.06Å; N31-D34 PolarHBondContact O-N 2.96Å; N31-D34 VanDerWaalsContact O-N 3.12Å; N31-D35 PolarHBondContact O-N 2.66Å
32E91.4Very high87.3Confident76 Ų7657.6 Ų57.636%0.35530%0.303SS..Hα-helixtrans-60.3-38174.8-74176.3-153.300112.4S28 L29 D35 A36S28-E32 WeakPolarHBondContact O-CG 3.34Å; S28-E32 PolarHBondContact O-N 3.04Å; L29-E32 PolarHBondContact O-N 3.3Å; E32-D35 PolarHBondContact O-N 2.99Å; E32-A36 PolarHBondContact O-N 3.46Å
33L88.1Confident87.5Confident9 Ų962.6 Ų62.65%0.04733%0.326CS..Hα-helixtrans-68.1-35.6174.7-73169.7000112.3L29 I30 N31 A36 A37 I80 D83 K84 V87L29-L33 HydrophobicContact CG-CD1 4.5Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.01Å; I30-L33 PolarHBondContact O-N 3.32Å; N31-L33 VanDerWaalsContact C-N 3.3Å; N31-L33 PolarHBondContact O-N 3.06Å; L33-A36 VanDerWaalsContact O-CB 3.28Å; L33-A36 WeakPolarHBondContact O-CB 3.33Å; L33-A36 PolarHBondContact O-N 2.75Å; L33-A37 PolarHBondContact O-N 2.9Å; L33-A37 VanDerWaalsContact O-N 3.1Å; L33-I80 HydrophobicContact CB-CG2 4.19Å; L33-I80 HydrophobicContact CD2-CG2 4.24Å; L33-I80 VanDerWaalsContact O-CG2 3.32Å; L33-I80 WeakPolarHBondContact O-CG2 3.44Å; L33-D83 HydrophobicContact CD1-CB 3.97Å; L33-D83 HydrophobicContact CD2-CB 3.87Å; L33-K84 HydrophobicContact CD1-CB 4.18Å; L33-V87 HydrophobicContact CD1-CG2 4.42Å
34D88.6Confident87.4Confident53 Ų5359.5 Ų59.528%0.28331%0.31SS..Hα-helixtrans-70-38.4175-79.8-26.7000112.1I30 N31 A36 A37 R38 K84I30-D34 PolarHBondContact O-N 3.14Å; N31-D34 PolarHBondContact O-N 2.96Å; N31-D34 VanDerWaalsContact O-N 3.12Å; D34-A36 VanDerWaalsContact C-N 3.3Å; D34-A36 PolarHBondContact O-N 3.07Å; D34-A37 PolarHBondContact O-N 3.4Å; D34-R38 WeakPolarHBondContact O-CG 3.31Å; D34-R38 PolarHBondContact O-N 3.26Å; D34-R38 VanDerWaalsContact O-N 3.1Å; D34-K84 IonicContact OD1-NZ 3.62Å; D34-K84 PolarHBondContact OD1-NZ 2.89Å; D34-K84 IonicContact OD2-NZ 3.76Å; D34-K84 PolarHBondContact OD2-NZ 3.41Å
35D89.2Confident87.2Confident70 Ų7059.2 Ų59.237%0.37430%0.302SS..Hα-helixtrans-59.9-42170.6-69.8-16.5000111.1N31 E32 A37 R38 D39N31-D35 PolarHBondContact O-N 2.66Å; E32-D35 PolarHBondContact O-N 2.99Å; D35-A37 PolarHBondContact O-N 3.12Å; D35-R38 PolarHBondContact O-N 3.35Å; D35-R38 IonicContact OD1-CZ 2.74Å; D35-R38 IonicContact OD1-NE 2.59Å; D35-R38 IonicContact OD1-NH2 3.45Å; D35-R38 PolarHBondContact OD1-NH2 3.38Å; D35-D39 PolarHBondContact O-N 3.02Å
36A87.3Confident86.8Confident3 Ų360.2 Ų60.23%0.02531%0.309CS..Hα-helixtrans-57.4-46.1174.400000114.6Y2 E32 L33 D34 R38 L40 I80Y2-A36 HydrophobicContact CD1-CB 4.12Å; Y2-A36 HydrophobicContact CE1-CB 3.12Å; Y2-A36 HydrophobicContact CE2-CB 4.2Å; Y2-A36 WeakPolarHBondContact OH-CA 3.43Å; Y2-A36 WeakPolarHBondContact OH-CB 3.47Å; E32-A36 PolarHBondContact O-N 3.46Å; L33-A36 VanDerWaalsContact O-CB 3.28Å; L33-A36 WeakPolarHBondContact O-CB 3.33Å; L33-A36 PolarHBondContact O-N 2.75Å; D34-A36 VanDerWaalsContact C-N 3.3Å; D34-A36 PolarHBondContact O-N 3.07Å; A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 3.41Å; A36-L40 VanDerWaalsContact O-CB 3.26Å; A36-L40 WeakPolarHBondContact O-CB 3.23Å; A36-L40 PolarHBondContact O-N 2.95Å; A36-I80 HydrophobicContact CB-CD1 3.76Å; A36-I80 HydrophobicContact CB-CG1 4.32Å
37A85.8Confident86.5Confident32 Ų3261.3 Ų61.326%0.26432%0.316SS..Hα-helixtrans-64.5-37.8179.700000110.8L33 D34 D35 L41 I80L33-A37 PolarHBondContact O-N 2.9Å; L33-A37 VanDerWaalsContact O-N 3.1Å; D34-A37 PolarHBondContact O-N 3.4Å; D35-A37 PolarHBondContact O-N 3.12Å; A37-L41 PolarHBondContact O-N 3.45Å; A37-L41 VanDerWaalsContact O-N 3.16Å; A37-I80 HydrophobicContact CB-CG2 4.26Å
38R86.1Confident86.1Confident156 Ų15657 Ų5759%0.58930%0.296SS*.Hα-helixtrans-67.3-50.6176.6-71.8-170.1-75.2-175.5-5.8111.8D34 D35 A36 L40 L41 T42D34-R38 WeakPolarHBondContact O-CG 3.31Å; D34-R38 PolarHBondContact O-N 3.26Å; D34-R38 VanDerWaalsContact O-N 3.1Å; D35-R38 PolarHBondContact O-N 3.35Å; D35-R38 IonicContact OD1-CZ 2.74Å; D35-R38 IonicContact OD1-NE 2.59Å; D35-R38 IonicContact OD1-NH2 3.45Å; D35-R38 PolarHBondContact OD1-NH2 3.38Å; A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 3.41Å; R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 3.34Å; R38-L41 WeakPolarHBondContact O-CB 3.47Å; R38-L41 PolarHBondContact O-N 3.36Å; R38-L41 VanDerWaalsContact O-N 3.08Å; R38-T42 PolarHBondContact O-N 3.36Å; R38-T42 PolarHBondContact O-OG1 3.22Å
39D86.8Confident85.5Confident89 Ų8957.3 Ų57.348%0.47629%0.291SS..Hα-helixtrans-58.4-42.1178.5-80.2-4.6000111.9D35 L41 T42 Q43D35-D39 PolarHBondContact O-N 3.02Å; D39-L41 VanDerWaalsContact C-N 3.35Å; D39-L41 PolarHBondContact O-N 2.89Å; D39-T42 PolarHBondContact O-N 3.43Å; D39-Q43 WeakPolarHBondContact O-CG 3.36Å; D39-Q43 PolarHBondContact O-N 3.29Å
40L86.9Confident85Confident28 Ų2859.9 Ų59.915%0.14731%0.311CS..Hα-helixtrans-61.4-43.1175.9-178.364.6000111.7A36 R38 Q43 V44 A73 T76 K77 I80A36-L40 VanDerWaalsContact O-CB 3.26Å; A36-L40 WeakPolarHBondContact O-CB 3.23Å; A36-L40 PolarHBondContact O-N 2.95Å; R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 3.34Å; L40-Q43 PolarHBondContact O-N 3Å; L40-V44 WeakPolarHBondContact O-CG2 3.35Å; L40-V44 PolarHBondContact O-N 3.2Å; L40-A73 HydrophobicContact CD1-CB 3.87Å; L40-A73 HydrophobicContact CD2-CB 4.49Å; L40-A73 WeakPolarHBondContact CD2-O 3.46Å; L40-A73 HydrophobicContact CG-CB 4.24Å; L40-T76 HydrophobicContact CD1-CG2 4.5Å; L40-T76 HydrophobicContact CD2-CG2 3.86Å; L40-K77 HydrophobicContact CD2-CB 4.02Å; L40-I80 HydrophobicContact CD2-CD1 4.34Å
41L84.5Confident84.5Confident66 Ų6660.6 Ų60.635%0.34631%0.313SS..Hα-helixtrans-64.8-41.3177.4-172.367.3000111.2A37 R38 D39 V44 Q45 C483A37-L41 PolarHBondContact O-N 3.45Å; A37-L41 VanDerWaalsContact O-N 3.16Å; R38-L41 WeakPolarHBondContact O-CB 3.47Å; R38-L41 PolarHBondContact O-N 3.36Å; R38-L41 VanDerWaalsContact O-N 3.08Å; D39-L41 VanDerWaalsContact C-N 3.35Å; D39-L41 PolarHBondContact O-N 2.89Å; L41-V44 PolarHBondContact O-N 3.47Å; L41-Q45 WeakPolarHBondContact O-CB 3.27Å; L41-Q45 PolarHBondContact O-N 2.96Å; L41-C483 HydrophobicContact CD1-CB 4.5Å
42T81.6Confident83.7Confident70 Ų7058.5 Ų58.543%0.42930%0.303SS..Hα-helixtrans-62.8-44.2175.2-60.30000111.6R38 D39 V44 Q45 L46R38-T42 PolarHBondContact O-N 3.36Å; R38-T42 PolarHBondContact O-OG1 3.22Å; D39-T42 PolarHBondContact O-N 3.43Å; T42-V44 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 2.92Å; T42-Q45 PolarHBondContact O-N 3.4Å; T42-L46 HydrophobicContact CG2-CD1 4.05Å; T42-L46 HydrophobicContact CG2-CG 4.4Å; T42-L46 WeakPolarHBondContact O-CG 3.24Å; T42-L46 PolarHBondContact O-N 2.93Å
43Q83.1Confident83Confident120 Ų12064.5 Ų64.556%0.56132%0.323SS*.Hα-helixtrans-62.4-41175.9-73.9179.223.700112.1D39 L40 L46 T47D39-Q43 WeakPolarHBondContact O-CG 3.36Å; D39-Q43 PolarHBondContact O-N 3.29Å; L40-Q43 PolarHBondContact O-N 3Å; Q43-L46 PolarHBondContact O-N 3.04Å; Q43-T47 VanDerWaalsContact O-CB 3.32Å; Q43-T47 WeakPolarHBondContact O-CB 3.49Å; Q43-T47 PolarHBondContact O-N 3.33Å; Q43-T47 PolarHBondContact O-OG1 3.17Å
44V83Confident82.2Confident10 Ų1066 Ų666%0.06134%0.34CS..Hα-helixtrans-60.3-47.1174165.60000110.6L40 L41 T42 T47 C48 L70 A73 V487L40-V44 WeakPolarHBondContact O-CG2 3.35Å; L40-V44 PolarHBondContact O-N 3.2Å; L41-V44 PolarHBondContact O-N 3.47Å; T42-V44 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 2.92Å; V44-T47 PolarHBondContact O-N 3.31Å; V44-C48 WeakPolarHBondContact O-CB 3.46Å; V44-C48 PolarHBondContact O-N 3.07Å; V44-C48 PolarHBondContact O-SG 3.16Å; V44-C48 VanDerWaalsContact O-SG 3.37Å; V44-L70 HydrophobicContact CG1-CD2 3.46Å; V44-L70 VanDerWaalsContact CG1-CD2 3.46Å; V44-L70 HydrophobicContact CG2-CD2 4.45Å; V44-A73 HydrophobicContact CG2-CB 3.43Å; V44-A73 VanDerWaalsContact CG2-CB 3.43Å; V44-V487 HydrophobicContact CG1-CG2 4.4Å
45Q82.2Confident80.7Confident87 Ų8771.3 Ų71.341%0.40737%0.368SS..Hα-helixtrans-60.8-49.4178.2-178.9-179-21.600111.8L41 T42 T47 C48 E49 I490L41-Q45 WeakPolarHBondContact O-CB 3.27Å; L41-Q45 PolarHBondContact O-N 2.96Å; T42-Q45 PolarHBondContact O-N 3.4Å; Q45-T47 VanDerWaalsContact C-N 3.3Å; Q45-T47 PolarHBondContact O-N 3.48Å; Q45-C48 WeakPolarHBondContact O-CB 3.41Å; Q45-C48 PolarHBondContact O-N 3.46Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.42Å; Q45-E49 PolarHBondContact NE2-OE1 2.74Å; Q45-E49 WeakPolarHBondContact O-CG 3.47Å; Q45-E49 PolarHBondContact O-N 3.19Å; Q45-I490 HydrophobicContact CB-CD1 4.41Å; Q45-I490 HydrophobicContact CG-CD1 4.28Å
46L80.6Confident79.3Confident100 Ų10070 Ų7052%0.52437%0.365SS..Hα-helixtrans-62.1-38.8178.7-70.1173.5000111.9T42 Q43 E49 S50T42-L46 HydrophobicContact CG2-CD1 4.05Å; T42-L46 HydrophobicContact CG2-CG 4.4Å; T42-L46 WeakPolarHBondContact O-CG 3.24Å; T42-L46 PolarHBondContact O-N 2.93Å; Q43-L46 PolarHBondContact O-N 3.04Å; L46-E49 PolarHBondContact O-N 3.16Å; L46-S50 WeakPolarHBondContact O-CB 3.31Å; L46-S50 PolarHBondContact O-N 3.05Å
47T81.1Confident77.7Confident34 Ų3477.5 Ų77.521%0.20940%0.404CS..Hα-helixtrans-61.2-50.2174.4-59.40000109.9Q43 V44 Q45 E49 S50 F51 L66 I69Q43-T47 VanDerWaalsContact O-CB 3.32Å; Q43-T47 WeakPolarHBondContact O-CB 3.49Å; Q43-T47 PolarHBondContact O-N 3.33Å; Q43-T47 PolarHBondContact O-OG1 3.17Å; V44-T47 PolarHBondContact O-N 3.31Å; Q45-T47 VanDerWaalsContact C-N 3.3Å; Q45-T47 PolarHBondContact O-N 3.48Å; T47-E49 PolarHBondContact O-N 3Å; T47-S50 PolarHBondContact O-N 3.48Å; T47-S50 VanDerWaalsContact O-N 3.17Å; T47-S50 PolarHBondContact O-OG 3.48Å; T47-F51 HydrophobicContact CG2-CD2 3.82Å; T47-F51 HydrophobicContact CG2-CE2 3.71Å; T47-F51 VanDerWaalsContact O-CD2 3.28Å; T47-F51 WeakPolarHBondContact O-CD2 3.38Å; T47-F51 PolarHBondContact O-N 2.92Å; T47-L66 HydrophobicContact CG2-CD1 4.26Å; T47-I69 HydrophobicContact CG2-CD1 3.75Å; T47-I69 HydrophobicContact CG2-CG2 4.16Å
48C80.3Confident77Confident1 Ų182 Ų821%0.00742%0.419CS..Hα-helixtrans-56.7-47.4175.8-78.20000112.6V44 Q45 S50 F51 V52 I490 I494V44-C48 WeakPolarHBondContact O-CB 3.46Å; V44-C48 PolarHBondContact O-N 3.07Å; V44-C48 PolarHBondContact O-SG 3.16Å; V44-C48 VanDerWaalsContact O-SG 3.37Å; Q45-C48 WeakPolarHBondContact O-CB 3.41Å; Q45-C48 PolarHBondContact O-N 3.46Å; C48-S50 VanDerWaalsContact C-N 3.31Å; C48-S50 PolarHBondContact O-N 3.05Å; C48-F51 WeakPolarHBondContact O-CB 3.3Å; C48-F51 PolarHBondContact O-N 3.1Å; C48-V52 WeakPolarHBondContact O-CG2 3.28Å; C48-V52 PolarHBondContact O-N 3.32Å; C48-I490 HydrophobicContact CB-CG2 3.3Å; C48-I494 HydrophobicContact CB-CD1 3.71Å; C48-I494 WeakPolarHBondContact O-CD1 3.41Å
49E79.4Confident76.2Confident66 Ų6677.6 Ų77.631%0.30841%0.411SS..Hα-helixtrans-60.5-39.5176.2-73177.9-16100112.1Q45 L46 T47 F51 V52 R53Q45-E49 WeakPolarHBondContact CG-OE1 3.42Å; Q45-E49 PolarHBondContact NE2-OE1 2.74Å; Q45-E49 WeakPolarHBondContact O-CG 3.47Å; Q45-E49 PolarHBondContact O-N 3.19Å; L46-E49 PolarHBondContact O-N 3.16Å; T47-E49 PolarHBondContact O-N 3Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-V52 PolarHBondContact O-N 3.48Å; E49-R53 WeakPolarHBondContact O-CB 2.95Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.04Å
50S79.3Confident75.6Confident70 Ų7081.3 Ų81.349%0.4943%0.425SS..Hα-helixtrans-64.4-38.3176.278.80000112.1L46 T47 C48 R53 G54L46-S50 WeakPolarHBondContact O-CB 3.31Å; L46-S50 PolarHBondContact O-N 3.05Å; T47-S50 PolarHBondContact O-N 3.48Å; T47-S50 VanDerWaalsContact O-N 3.17Å; T47-S50 PolarHBondContact O-OG 3.48Å; C48-S50 VanDerWaalsContact C-N 3.31Å; C48-S50 PolarHBondContact O-N 3.05Å; S50-R53 PolarHBondContact O-N 3.07Å; S50-G54 PolarHBondContact O-N 2.59Å
51F78.4Confident75.1Confident36 Ų3685.6 Ų85.616%0.15845%0.445CS..Hα-helixtrans-66.2-37.4172.9-88.2-74.6000112.3T47 C48 E49 D62 Q65 L66 I69T47-F51 HydrophobicContact CG2-CD2 3.82Å; T47-F51 HydrophobicContact CG2-CE2 3.71Å; T47-F51 VanDerWaalsContact O-CD2 3.28Å; T47-F51 WeakPolarHBondContact O-CD2 3.38Å; T47-F51 PolarHBondContact O-N 2.92Å; C48-F51 WeakPolarHBondContact O-CB 3.3Å; C48-F51 PolarHBondContact O-N 3.1Å; E49-F51 VanDerWaalsContact C-N 3.34Å; F51-D62 HydrophobicContact CD1-CB 3.89Å; F51-D62 HydrophobicContact CE1-CB 3.44Å; F51-D62 VanDerWaalsContact CE1-CB 3.44Å; F51-D62 WeakPolarHBondContact CE1-O 3.26Å; F51-D62 WeakPolarHBondContact CZ-O 3.1Å; F51-Q65 HydrophobicContact CZ-CB 4.18Å; F51-Q65 HydrophobicContact CZ-CG 4.32Å; F51-L66 HydrophobicContact CD2-CB 4.08Å; F51-L66 HydrophobicContact CD2-CD1 3.74Å; F51-L66 HydrophobicContact CD2-CD2 4.45Å; F51-L66 HydrophobicContact CD2-CG 4.29Å; F51-L66 HydrophobicContact CE1-CB 4.33Å; F51-L66 HydrophobicContact CE2-CB 3.8Å; F51-L66 HydrophobicContact CE2-CD1 3.96Å; F51-L66 HydrophobicContact CE2-CG 4.41Å; F51-L66 HydrophobicContact CG-CB 4.46Å; F51-L66 HydrophobicContact CG-CD1 4.5Å; F51-L66 HydrophobicContact CG-CD2 4.44Å; F51-L66 HydrophobicContact CZ-CB 3.93Å; F51-I69 HydrophobicContact CE2-CD1 4.44Å
52V73.9Confident74.7Confident52 Ų5284.3 Ų84.332%0.31544%0.438SS..Hα-helixtrans-68.3-42.7176.8-171.80000111.6C48 E49 I494C48-V52 WeakPolarHBondContact O-CG2 3.28Å; C48-V52 PolarHBondContact O-N 3.32Å; E49-V52 PolarHBondContact O-N 3.48Å; V52-I494 HydrophobicContact CG2-CB 3.76Å; V52-I494 HydrophobicContact CG2-CD1 3.76Å; V52-I494 HydrophobicContact CG2-CG1 3.35Å; V52-I494 HydrophobicContact CG2-CG2 3.82Å
53R77.5Confident74.5Confident203 Ų20385.1 Ų85.177%0.76644%0.435SS*.Hα-helixtrans-76.5-25.9-177.2-69.6-177.4-170.5-163.96.9112.8E49 S50 N55E49-R53 WeakPolarHBondContact O-CB 2.95Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.04Å; S50-R53 PolarHBondContact O-N 3.07Å; R53-N55 PolarHBondContact O-N 3.11Å
54G70.8Confident74.5Confident39 Ų3985.4 Ų85.440%0.40244%0.435SS..SBendtrans-69.3118.8177.600000110.9S50 S56S50-G54 PolarHBondContact O-N 2.59Å; G54-S56 PolarHBondContact O-N 3.44Å
55N57.6Low74.6Confident165 Ų16589.1 Ų89.188%0.88245%0.452SS*.  trans-67.368.3159-80.6-21.2000108.8R53 L57R53-N55 PolarHBondContact O-N 3.11Å; N55-L57 PolarHBondContact O-N 2.94Å; N55-L57 VanDerWaalsContact O-N 3.1Å
56S58.3Low74.6Confident43 Ų4385.4 Ų85.430%0.30144%0.435SS..  trans-62.1117.4178.7179.80000109.8G54 Q58 D62G54-S56 PolarHBondContact O-N 3.44Å; S56-Q58 PolarHBondContact O-N 3.31Å; S56-Q58 PolarHBondContact OG-N 3.5Å; S56-Q58 PolarHBondContact OG-O 3.5Å; S56-D62 WeakPolarHBondContact CB-OD2 3.34Å; S56-D62 PolarHBondContact OG-OD2 2.94Å
57L54.6Low74.8Confident160 Ų16084.9 Ų84.984%0.83843%0.426SS*.SBendtrans-69.4-9.1173.3-74.4158000112.2N55N55-L57 PolarHBondContact O-N 2.94Å; N55-L57 VanDerWaalsContact O-N 3.1Å
58Q71.7Confident75.1Confident127 Ų12788.6 Ų88.659%0.59344%0.441SS*.  trans-140.473-173.7-66.4-67-42.500110.8S56 E60 H61 D62S56-Q58 PolarHBondContact O-N 3.31Å; S56-Q58 PolarHBondContact OG-N 3.5Å; S56-Q58 PolarHBondContact OG-O 3.5Å; Q58-E60 PolarHBondContact O-N 3.44Å; Q58-E60 VanDerWaalsContact O-N 3.13Å; Q58-H61 HydrophobicContact CB-CB 4.15Å; Q58-H61 PolarHBondContact O-N 3.32Å; Q58-H61 VanDerWaalsContact O-N 3.16Å; Q58-D62 PolarHBondContact O-N 3.41Å
59P69.7Low75.3Confident63 Ų6391.2 Ų91.241%0.40945%0.454SS..Hα-helixtrans-53-38.8-176.118.3-31.3000113H61 D62 F63P59-H61 PolarHBondContact O-N 2.87Å; P59-D62 PolarHBondContact O-N 3.1Å; P59-F63 HydrophobicContact CB-CD2 4.22Å; P59-F63 HydrophobicContact CB-CE2 4.11Å; P59-F63 WeakPolarHBondContact O-CB 3.49Å; P59-F63 WeakPolarHBondContact O-CD2 3.45Å; P59-F63 PolarHBondContact O-N 3.38Å
60E73.2Confident75.6Confident167 Ų16788.6 Ų88.678%0.7844%0.442SS*.Hα-helixtrans-63.8-42.5-178.8-66.3-179.1-17400113.8Q58 D62 K64Q58-E60 PolarHBondContact O-N 3.44Å; Q58-E60 VanDerWaalsContact O-N 3.13Å; E60-D62 VanDerWaalsContact C-N 3.31Å; E60-K64 PolarHBondContact O-N 3.17Å
61H76.6Confident76Confident119 Ų11986.1 Ų86.155%0.55143%0.425SS*.Hα-helixtrans-64-43.2177.4175.9-86.8000110.3Q58 P59 K64 Q65Q58-H61 HydrophobicContact CB-CB 4.15Å; Q58-H61 PolarHBondContact O-N 3.32Å; Q58-H61 VanDerWaalsContact O-N 3.16Å; P59-H61 PolarHBondContact O-N 2.87Å; H61-K64 PolarHBondContact O-N 2.89Å; H61-Q65 PolarHBondContact O-N 3.35Å
62D75Confident76.5Confident38 Ų3887.8 Ų87.820%0.20344%0.441CS..Hα-helixtrans-70.3-40-175.7-82.424.4000112.3F51 S56 Q58 P59 E60 K64 Q65 L66F51-D62 HydrophobicContact CD1-CB 3.89Å; F51-D62 HydrophobicContact CE1-CB 3.44Å; F51-D62 VanDerWaalsContact CE1-CB 3.44Å; F51-D62 WeakPolarHBondContact CE1-O 3.26Å; F51-D62 WeakPolarHBondContact CZ-O 3.1Å; S56-D62 WeakPolarHBondContact CB-OD2 3.34Å; S56-D62 PolarHBondContact OG-OD2 2.94Å; Q58-D62 PolarHBondContact O-N 3.41Å; P59-D62 PolarHBondContact O-N 3.1Å; E60-D62 VanDerWaalsContact C-N 3.31Å; D62-K64 VanDerWaalsContact C-N 3.34Å; D62-K64 PolarHBondContact O-N 3.46Å; D62-Q65 PolarHBondContact O-N 2.99Å; D62-L66 WeakPolarHBondContact O-CB 3.34Å; D62-L66 PolarHBondContact O-N 3.23Å
63F78Confident77.2Confident87 Ų8785.8 Ų85.838%0.38243%0.43SS..Hα-helixtrans-63.1-39.3172.4-82.4-63.2000112.6P59 R67P59-F63 HydrophobicContact CB-CD2 4.22Å; P59-F63 HydrophobicContact CB-CE2 4.11Å; P59-F63 WeakPolarHBondContact O-CB 3.49Å; P59-F63 WeakPolarHBondContact O-CD2 3.45Å; P59-F63 PolarHBondContact O-N 3.38Å; F63-R67 WeakPolarHBondContact O-CB 3.41Å; F63-R67 PolarHBondContact O-N 3.33Å
64K83.6Confident77.6Confident126 Ų12677 Ų7755%0.54840%0.398SS..Hα-helixtrans-64-45.6176.1-175.1-174.8172.8-167.50111E60 H61 D62 R67 E68E60-K64 PolarHBondContact O-N 3.17Å; H61-K64 PolarHBondContact O-N 2.89Å; D62-K64 VanDerWaalsContact C-N 3.34Å; D62-K64 PolarHBondContact O-N 3.46Å; K64-R67 WeakPolarHBondContact O-CB 3.24Å; K64-R67 PolarHBondContact O-N 3.43Å; K64-E68 VanDerWaalsContact CE-OE1 3.27Å; K64-E68 WeakPolarHBondContact CE-OE1 3.42Å; K64-E68 WeakPolarHBondContact O-CG 3.26Å; K64-E68 PolarHBondContact O-N 2.9Å
65Q84.2Confident78.5Confident89 Ų8978.1 Ų78.142%0.41639%0.394SS..Hα-helixtrans-63.6-44.9178.1-172.7177.614.500111.6F51 H61 D62 R67 E68 I69F51-Q65 HydrophobicContact CZ-CB 4.18Å; F51-Q65 HydrophobicContact CZ-CG 4.32Å; H61-Q65 PolarHBondContact O-N 3.35Å; D62-Q65 PolarHBondContact O-N 2.99Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-R67 PolarHBondContact O-N 3.48Å; Q65-E68 PolarHBondContact O-N 2.86Å; Q65-I69 HydrophobicContact CG-CD1 4.13Å; Q65-I69 WeakPolarHBondContact O-CG1 3.48Å; Q65-I69 PolarHBondContact O-N 3.1Å
66L82.1Confident80Confident9 Ų973 Ų735%0.04737%0.369CS..Hα-helixtrans-58.4-42.8174.917960.2000111.3T47 F51 D62 E68 I69 L70 I494T47-L66 HydrophobicContact CG2-CD1 4.26Å; F51-L66 HydrophobicContact CD2-CB 4.08Å; F51-L66 HydrophobicContact CD2-CD1 3.74Å; F51-L66 HydrophobicContact CD2-CD2 4.45Å; F51-L66 HydrophobicContact CD2-CG 4.29Å; F51-L66 HydrophobicContact CE1-CB 4.33Å; F51-L66 HydrophobicContact CE2-CB 3.8Å; F51-L66 HydrophobicContact CE2-CD1 3.96Å; F51-L66 HydrophobicContact CE2-CG 4.41Å; F51-L66 HydrophobicContact CG-CB 4.46Å; F51-L66 HydrophobicContact CG-CD1 4.5Å; F51-L66 HydrophobicContact CG-CD2 4.44Å; F51-L66 HydrophobicContact CZ-CB 3.93Å; D62-L66 WeakPolarHBondContact O-CB 3.34Å; D62-L66 PolarHBondContact O-N 3.23Å; L66-E68 VanDerWaalsContact C-N 3.35Å; L66-E68 PolarHBondContact O-N 2.92Å; L66-I69 PolarHBondContact O-N 3.48Å; L66-L70 HydrophobicContact CD1-CD1 3.92Å; L66-L70 HydrophobicContact CD1-CG 4Å; L66-L70 HydrophobicContact CG-CD1 3.86Å; L66-L70 HydrophobicContact CG-CG 4.33Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.92Å; L66-I494 HydrophobicContact CD2-CD1 4.18Å
67R84.6Confident81.4Confident88 Ų8873.5 Ų73.533%0.33237%0.366SS..Hα-helixtrans-61.1-42.7176.3-176.3-174.3179.9-168.9-0112F63 K64 Q65 S71 F126 N127 Y130F63-R67 WeakPolarHBondContact O-CB 3.41Å; F63-R67 PolarHBondContact O-N 3.33Å; K64-R67 WeakPolarHBondContact O-CB 3.24Å; K64-R67 PolarHBondContact O-N 3.43Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-R67 PolarHBondContact O-N 3.48Å; R67-S71 WeakPolarHBondContact O-CB 3.39Å; R67-S71 PolarHBondContact O-N 3.22Å; R67-S71 PolarHBondContact O-OG 2.92Å; R67-F126 HydrophobicContact CG-CE1 4.17Å; R67-F126 HydrophobicContact CG-CZ 4.32Å; R67-N127 PolarHBondContact NH2-OD1 3.16Å; R67-Y130 HydrophobicContact CB-CD2 4.47Å; R67-Y130 HydrophobicContact CB-CE2 3.89Å; R67-Y130 HydrophobicContact CG-CD2 4.35Å; R67-Y130 HydrophobicContact CG-CE2 4.14Å
68E87.8Confident83.1Confident113 Ų11366.8 Ų66.853%0.52833%0.33SS..Hα-helixtrans-63.9-43.7177.5-73.4174.2-175.700111.3K64 Q65 L66 S71 S72K64-E68 VanDerWaalsContact CE-OE1 3.27Å; K64-E68 WeakPolarHBondContact CE-OE1 3.42Å; K64-E68 WeakPolarHBondContact O-CG 3.26Å; K64-E68 PolarHBondContact O-N 2.9Å; Q65-E68 PolarHBondContact O-N 2.86Å; L66-E68 VanDerWaalsContact C-N 3.35Å; L66-E68 PolarHBondContact O-N 2.92Å; E68-S71 PolarHBondContact O-N 3.27Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 2.86Å
69I85.9Confident84Confident55 Ų5564.3 Ų64.328%0.28232%0.317SS..Hα-helixtrans-63.6-48.8177.2-65.2167.4000111T47 F51 Q65 L66 S71 S72 A73T47-I69 HydrophobicContact CG2-CD1 3.75Å; T47-I69 HydrophobicContact CG2-CG2 4.16Å; F51-I69 HydrophobicContact CE2-CD1 4.44Å; Q65-I69 HydrophobicContact CG-CD1 4.13Å; Q65-I69 WeakPolarHBondContact O-CG1 3.48Å; Q65-I69 PolarHBondContact O-N 3.1Å; L66-I69 PolarHBondContact O-N 3.48Å; I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 2.89Å; I69-S72 WeakPolarHBondContact O-CB 3.44Å; I69-S72 PolarHBondContact O-N 2.9Å; I69-A73 WeakPolarHBondContact O-CB 3.4Å; I69-A73 PolarHBondContact O-N 2.76Å
70L85.2Confident85Confident12 Ų1262.2 Ų62.26%0.06330%0.302CS..Hα-helixtrans-64-38.2178.9-70.3175.3000112.2V44 L66 A73 L74 F126 V487 I491V44-L70 HydrophobicContact CG1-CD2 3.46Å; V44-L70 VanDerWaalsContact CG1-CD2 3.46Å; V44-L70 HydrophobicContact CG2-CD2 4.45Å; L66-L70 HydrophobicContact CD1-CD1 3.92Å; L66-L70 HydrophobicContact CD1-CG 4Å; L66-L70 HydrophobicContact CG-CD1 3.86Å; L66-L70 HydrophobicContact CG-CG 4.33Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 VanDerWaalsContact O-CG 3.27Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.92Å; L70-A73 PolarHBondContact O-N 2.93Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 PolarHBondContact O-N 3.45Å; L70-F126 HydrophobicContact CB-CE2 3.88Å; L70-F126 HydrophobicContact CB-CZ 3.64Å; L70-F126 HydrophobicContact CD1-CE2 3.82Å; L70-F126 HydrophobicContact CD1-CZ 4.05Å; L70-F126 HydrophobicContact CG-CE2 4.48Å; L70-V487 HydrophobicContact CD2-CG1 4.15Å; L70-I491 HydrophobicContact CD1-CD1 4.02Å; L70-I491 HydrophobicContact CD1-CG1 4.32Å
71S87.3Confident85.8Confident18 Ų1855.5 Ų55.513%0.12628%0.276CS..Hα-helixtrans-63.4-45.2174.9-64.40000111.4R67 E68 I69 L74 I75R67-S71 WeakPolarHBondContact O-CB 3.39Å; R67-S71 PolarHBondContact O-N 3.22Å; R67-S71 PolarHBondContact O-OG 2.92Å; E68-S71 PolarHBondContact O-N 3.27Å; I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 2.89Å; S71-L74 PolarHBondContact O-N 3.12Å; S71-I75 WeakPolarHBondContact O-CG1 3.32Å; S71-I75 PolarHBondContact O-N 3.21Å
72S89.4Confident86.5Confident70 Ų7051 Ų5149%0.4926%0.256SS..Hα-helixtrans-61-48.2176-174.60000111.1E68 I69 L74 I75 T76E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 2.86Å; I69-S72 WeakPolarHBondContact O-CB 3.44Å; I69-S72 PolarHBondContact O-N 2.9Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 2.63Å; S72-I75 WeakPolarHBondContact O-CB 3.34Å; S72-I75 PolarHBondContact O-N 2.72Å; S72-I75 VanDerWaalsContact O-N 3.13Å; S72-T76 PolarHBondContact O-N 3.31Å; S72-T76 PolarHBondContact O-OG1 3.16Å; S72-T76 VanDerWaalsContact O-OG1 3.12Å
73A88.4Confident87.2Confident11 Ų1149.7 Ų49.79%0.09125%0.249CC..Hα-helixtrans-61.1-37.4178.300000112.7L40 V44 I69 L70 I75 T76 K77L40-A73 HydrophobicContact CD1-CB 3.87Å; L40-A73 HydrophobicContact CD2-CB 4.49Å; L40-A73 WeakPolarHBondContact CD2-O 3.46Å; L40-A73 HydrophobicContact CG-CB 4.24Å; V44-A73 HydrophobicContact CG2-CB 3.43Å; V44-A73 VanDerWaalsContact CG2-CB 3.43Å; I69-A73 WeakPolarHBondContact O-CB 3.4Å; I69-A73 PolarHBondContact O-N 2.76Å; L70-A73 PolarHBondContact O-N 2.93Å; A73-I75 PolarHBondContact O-N 2.66Å; A73-T76 PolarHBondContact O-N 3.08Å; A73-K77 WeakPolarHBondContact O-CB 3.34Å; A73-K77 PolarHBondContact O-N 3.34Å
74L86.4Confident87.9Confident18 Ų1848.1 Ų48.19%0.09424%0.241CC..Hα-helixtrans-62.6-43.5176-171.367.9000111.8L70 S71 S72 K77 Q78 E122 F123 L484L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 PolarHBondContact O-N 3.45Å; S71-L74 PolarHBondContact O-N 3.12Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 2.63Å; L74-K77 PolarHBondContact O-N 3.37Å; L74-Q78 WeakPolarHBondContact O-CG 3.48Å; L74-Q78 PolarHBondContact O-N 3.49Å; L74-E122 HydrophobicContact CD1-CB 4.14Å; L74-E122 HydrophobicContact CD2-CB 4.09Å; L74-F123 HydrophobicContact CD2-CB 3.98Å; L74-F123 HydrophobicContact CD2-CD2 4.06Å; L74-F123 HydrophobicContact CD2-CG 4.47Å; L74-L484 HydrophobicContact CD1-CD2 4.15Å
75I88.3Confident88.3Confident63 Ų6342.9 Ų42.932%0.32322%0.221SC..Hα-helixtrans-63.8-47.6177-65.4167.5000110.2S71 S72 A73 K77 Q78 K79 A117S71-I75 WeakPolarHBondContact O-CG1 3.32Å; S71-I75 PolarHBondContact O-N 3.21Å; S72-I75 WeakPolarHBondContact O-CB 3.34Å; S72-I75 PolarHBondContact O-N 2.72Å; S72-I75 VanDerWaalsContact O-N 3.13Å; A73-I75 PolarHBondContact O-N 2.66Å; I75-K77 VanDerWaalsContact C-N 3.31Å; I75-K77 PolarHBondContact O-N 3Å; I75-Q78 PolarHBondContact O-N 2.74Å; I75-K79 PolarHBondContact O-N 2.93Å; I75-A117 HydrophobicContact CD1-CB 3.75Å; I75-A117 HydrophobicContact CG1-CB 3.75Å
76T89.7Confident88.6Confident58 Ų5839 Ų3936%0.35620%0.203SC..Hα-helixtrans-59.7-42.6178.1-55.70000111.4L40 S72 A73 Q78 K79 I80L40-T76 HydrophobicContact CD1-CG2 4.5Å; L40-T76 HydrophobicContact CD2-CG2 3.86Å; S72-T76 PolarHBondContact O-N 3.31Å; S72-T76 PolarHBondContact O-OG1 3.16Å; S72-T76 VanDerWaalsContact O-OG1 3.12Å; A73-T76 PolarHBondContact O-N 3.08Å; T76-Q78 PolarHBondContact O-N 2.91Å; T76-K79 WeakPolarHBondContact O-CB 3.37Å; T76-K79 PolarHBondContact O-N 3.48Å; T76-I80 HydrophobicContact CG2-CD1 4.09Å; T76-I80 WeakPolarHBondContact O-CG1 3.34Å; T76-I80 PolarHBondContact O-N 3.4Å
77K88.7Confident89Confident52 Ų5238.6 Ų38.623%0.22620%0.201CC..Hα-helixtrans-61.9-42.6176.9-174.7-177.3174.5-173.40112.1L40 A73 L74 I75 K79 I80 A81 C483L40-K77 HydrophobicContact CD2-CB 4.02Å; A73-K77 WeakPolarHBondContact O-CB 3.34Å; A73-K77 PolarHBondContact O-N 3.34Å; L74-K77 PolarHBondContact O-N 3.37Å; I75-K77 VanDerWaalsContact C-N 3.31Å; I75-K77 PolarHBondContact O-N 3Å; K77-K79 VanDerWaalsContact C-N 3.33Å; K77-I80 PolarHBondContact O-N 2.99Å; K77-A81 PolarHBondContact O-N 3.28Å; K77-C483 PolarHBondContact NZ-SG 2.85Å
78Q88.8Confident89.3Confident19 Ų1939.1 Ų39.19%0.08921%0.207CC..Hα-helixtrans-67.3-36.6178-71.1165.9-27.900111.6L74 I75 T76 A81 I82 L114 M120 E122L74-Q78 WeakPolarHBondContact O-CG 3.48Å; L74-Q78 PolarHBondContact O-N 3.49Å; I75-Q78 PolarHBondContact O-N 2.74Å; T76-Q78 PolarHBondContact O-N 2.91Å; Q78-A81 PolarHBondContact O-N 2.87Å; Q78-I82 WeakPolarHBondContact O-CG1 3.42Å; Q78-I82 PolarHBondContact O-N 2.98Å; Q78-L114 HydrophobicContact CB-CD2 3.63Å; Q78-M120 HydrophobicContact CB-CE 4.24Å; Q78-M120 HydrophobicContact CG-CE 3.94Å; Q78-M120 VanDerWaalsContact OE1-CE 3.28Å; Q78-M120 PolarHBondContact OE1-SD 2.98Å; Q78-E122 PolarHBondContact NE2-OE2 2.88Å
79K91.5Very high89.4Confident76 Ų7636.5 Ų36.533%0.3320%0.195SC..Hα-helixtrans-58.9-51170.6-172.3178.3177.8178.80111.5I75 T76 K77 A81 I82 D83 L111 L114I75-K79 PolarHBondContact O-N 2.93Å; T76-K79 WeakPolarHBondContact O-CB 3.37Å; T76-K79 PolarHBondContact O-N 3.48Å; K77-K79 VanDerWaalsContact C-N 3.33Å; K79-A81 PolarHBondContact O-N 3.24Å; K79-I82 PolarHBondContact O-N 3.46Å; K79-I82 VanDerWaalsContact O-N 3.1Å; K79-D83 WeakPolarHBondContact O-CB 3.49Å; K79-D83 VanDerWaalsContact O-CG 3.22Å; K79-D83 PolarHBondContact O-N 2.93Å; K79-L111 HydrophobicContact CG-CD2 4.19Å; K79-L114 HydrophobicContact CB-CD1 3.85Å; K79-L114 HydrophobicContact CG-CD1 4.34Å
80I90Very high89.5Confident18 Ų1834.4 Ų34.49%0.09218%0.184CC..Hα-helixtrans-56-39.1176.3-68162.4000111.3L33 A36 A37 L40 T76 K77 D83 K84L33-I80 HydrophobicContact CB-CG2 4.19Å; L33-I80 HydrophobicContact CD2-CG2 4.24Å; L33-I80 VanDerWaalsContact O-CG2 3.32Å; L33-I80 WeakPolarHBondContact O-CG2 3.44Å; A36-I80 HydrophobicContact CB-CD1 3.76Å; A36-I80 HydrophobicContact CB-CG1 4.32Å; A37-I80 HydrophobicContact CB-CG2 4.26Å; L40-I80 HydrophobicContact CD2-CD1 4.34Å; T76-I80 HydrophobicContact CG2-CD1 4.09Å; T76-I80 WeakPolarHBondContact O-CG1 3.34Å; T76-I80 PolarHBondContact O-N 3.4Å; K77-I80 PolarHBondContact O-N 2.99Å; I80-D83 WeakPolarHBondContact O-CB 3.34Å; I80-D83 PolarHBondContact O-N 3.45Å; I80-K84 VanDerWaalsContact O-CB 3.31Å; I80-K84 WeakPolarHBondContact O-CB 3.36Å; I80-K84 PolarHBondContact O-N 3.21Å
81A90.2Very high89.6Confident27 Ų2737.6 Ų37.622%0.22320%0.197CC..Hα-helixtrans-70.6-35.8179.700000113K77 Q78 K79 S85 V476K77-A81 PolarHBondContact O-N 3.28Å; Q78-A81 PolarHBondContact O-N 2.87Å; K79-A81 PolarHBondContact O-N 3.24Å; A81-S85 WeakPolarHBondContact O-CB 3.5Å; A81-S85 PolarHBondContact O-N 3.26Å; A81-V476 HydrophobicContact CB-CG1 3.8Å
82I91Very high89.6Confident25 Ų2538.4 Ų38.413%0.12821%0.209CC..Hα-helixtrans-65.7-50171.6-73.7161.8000110Q78 K79 K84 S85 I86 Y107 A110 L114Q78-I82 WeakPolarHBondContact O-CG1 3.42Å; Q78-I82 PolarHBondContact O-N 2.98Å; K79-I82 PolarHBondContact O-N 3.46Å; K79-I82 VanDerWaalsContact O-N 3.1Å; I82-K84 VanDerWaalsContact C-N 3.31Å; I82-K84 PolarHBondContact O-N 3.07Å; I82-S85 WeakPolarHBondContact O-CB 3.36Å; I82-S85 PolarHBondContact O-N 3.41Å; I82-S85 VanDerWaalsContact O-N 3.11Å; I82-I86 HydrophobicContact CG2-CG1 4.44Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 3.38Å; I82-Y107 HydrophobicContact CG2-CD2 3.72Å; I82-Y107 HydrophobicContact CG2-CE2 3.89Å; I82-A110 HydrophobicContact CD1-CB 4Å; I82-A110 HydrophobicContact CG1-CB 4.19Å; I82-A110 HydrophobicContact CG2-CB 3.79Å; I82-L114 HydrophobicContact CD1-CD1 3.69Å; I82-L114 HydrophobicContact CD1-CD2 3.8Å; I82-L114 HydrophobicContact CD1-CG 3.64Å
83D91.1Very high89.4Confident10 Ų1035.2 Ų35.25%0.05319%0.187CC..Hα-helixtrans-50.9-51.4176.3-73.7-3000110.4V5 L33 K79 I80 S85 I86 V87 Y107V5-D83 HydrophobicContact CB-CB 4.42Å; V5-D83 HydrophobicContact CG2-CB 3.41Å; V5-D83 VanDerWaalsContact CG2-CB 3.41Å; L33-D83 HydrophobicContact CD1-CB 3.97Å; L33-D83 HydrophobicContact CD2-CB 3.87Å; K79-D83 WeakPolarHBondContact O-CB 3.49Å; K79-D83 VanDerWaalsContact O-CG 3.22Å; K79-D83 PolarHBondContact O-N 2.93Å; I80-D83 WeakPolarHBondContact O-CB 3.34Å; I80-D83 PolarHBondContact O-N 3.45Å; D83-S85 PolarHBondContact O-N 2.92Å; D83-I86 PolarHBondContact O-N 3.23Å; D83-V87 WeakPolarHBondContact O-CB 3.42Å; D83-V87 VanDerWaalsContact O-CG2 3.23Å; D83-V87 WeakPolarHBondContact O-CG2 3.43Å; D83-V87 PolarHBondContact O-N 3Å; D83-Y107 VanDerWaalsContact OD1-CE2 3.26Å; D83-Y107 WeakPolarHBondContact OD1-CE2 3.48Å; D83-Y107 PolarHBondContact OD1-OH 3.37Å
84K91.5Very high89Confident53 Ų5341.3 Ų41.323%0.2322%0.218CC..Hα-helixtrans-60.7-44.5178.3-174.3175.1-175.4168.90112.4L33 D34 I80 I82 I86 V87 Q88L33-K84 HydrophobicContact CD1-CB 4.18Å; D34-K84 IonicContact OD1-NZ 3.62Å; D34-K84 PolarHBondContact OD1-NZ 2.89Å; D34-K84 IonicContact OD2-NZ 3.76Å; D34-K84 PolarHBondContact OD2-NZ 3.41Å; I80-K84 VanDerWaalsContact O-CB 3.31Å; I80-K84 WeakPolarHBondContact O-CB 3.36Å; I80-K84 PolarHBondContact O-N 3.21Å; I82-K84 VanDerWaalsContact C-N 3.31Å; I82-K84 PolarHBondContact O-N 3.07Å; K84-I86 PolarHBondContact O-N 3.4Å; K84-V87 PolarHBondContact O-N 3.35Å; K84-Q88 WeakPolarHBondContact O-CB 3.3Å; K84-Q88 VanDerWaalsContact O-CG 3.24Å; K84-Q88 WeakPolarHBondContact O-CG 3.47Å; K84-Q88 PolarHBondContact O-N 3.42Å
85S91.9Very high88.7Confident17 Ų1742.1 Ų42.112%0.11923%0.231CC..Hα-helixtrans-61.9-42.7178.7177.40000112A81 I82 D83 Q88 Q89A81-S85 WeakPolarHBondContact O-CB 3.5Å; A81-S85 PolarHBondContact O-N 3.26Å; I82-S85 WeakPolarHBondContact O-CB 3.36Å; I82-S85 PolarHBondContact O-N 3.41Å; I82-S85 VanDerWaalsContact O-N 3.11Å; D83-S85 PolarHBondContact O-N 2.92Å; S85-Q88 PolarHBondContact O-N 3.12Å; S85-Q89 VanDerWaalsContact O-CG 3.3Å; S85-Q89 WeakPolarHBondContact O-CG 3.45Å; S85-Q89 PolarHBondContact O-N 3.13Å; S85-Q89 PolarHBondContact O-NE2 2.93Å; S85-Q89 PolarHBondContact OG-NE2 3.35Å
86I91.5Very high88.7Confident6 Ų642.7 Ų42.73%0.03123%0.234CC..Hα-helixtrans-68.3-46.1178.9-67.4-59.6000110.9I82 D83 K84 Q88 Q89 M90 M104 Y107I82-I86 HydrophobicContact CG2-CG1 4.44Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 3.38Å; D83-I86 PolarHBondContact O-N 3.23Å; K84-I86 PolarHBondContact O-N 3.4Å; I86-Q88 VanDerWaalsContact C-N 3.29Å; I86-Q88 PolarHBondContact O-N 3.26Å; I86-Q89 PolarHBondContact O-N 3.15Å; I86-M90 HydrophobicContact CG2-CE 3.54Å; I86-M90 HydrophobicContact CG2-SD 4.36Å; I86-M90 WeakPolarHBondContact O-CG 3.35Å; I86-M90 PolarHBondContact O-N 3.43Å; I86-M104 HydrophobicContact CG2-CE 4.17Å; I86-Y107 HydrophobicContact CB-CD2 4.36Å; I86-Y107 HydrophobicContact CG1-CD2 3.69Å; I86-Y107 HydrophobicContact CG1-CG 4.17Å
87V89.4Confident88.6Confident2 Ų244.6 Ų44.61%0.01225%0.25CC..Hα-helixtrans-59.7-40.1176.9172.60000111.4V5 I26 L29 I30 L33 D83 K84 Q89 M90 K91V5-V87 HydrophobicContact CG2-CG2 4.16Å; I26-V87 HydrophobicContact CG2-CG1 3.81Å; L29-V87 HydrophobicContact CB-CG1 4.47Å; L29-V87 HydrophobicContact CD2-CB 4.49Å; L29-V87 HydrophobicContact CD2-CG1 4.03Å; L29-V87 HydrophobicContact CD2-CG2 3.56Å; L29-V87 HydrophobicContact CG-CG1 4.43Å; L29-V87 HydrophobicContact CG-CG2 4.3Å; I30-V87 HydrophobicContact CD1-CG1 4.19Å; I30-V87 HydrophobicContact CG1-CB 4.48Å; I30-V87 HydrophobicContact CG1-CG1 3.67Å; L33-V87 HydrophobicContact CD1-CG2 4.42Å; D83-V87 WeakPolarHBondContact O-CB 3.42Å; D83-V87 VanDerWaalsContact O-CG2 3.23Å; D83-V87 WeakPolarHBondContact O-CG2 3.43Å; D83-V87 PolarHBondContact O-N 3Å; K84-V87 PolarHBondContact O-N 3.35Å; V87-Q89 VanDerWaalsContact C-N 3.35Å; V87-Q89 PolarHBondContact O-N 3.38Å; V87-M90 WeakPolarHBondContact O-CB 3.02Å; V87-M90 PolarHBondContact O-N 3.1Å; V87-K91 PolarHBondContact O-N 2.58Å
88Q91.1Very high88.7Confident98 Ų9849 Ų4946%0.45827%0.271SS..Hα-helixtrans-64.3-37.8173.9-76.3177-11.400112.8I30 K84 S85 I86 K91I30-Q88 HydrophobicContact CD1-CG 3.81Å; I30-Q88 HydrophobicContact CG1-CG 4.46Å; K84-Q88 WeakPolarHBondContact O-CB 3.3Å; K84-Q88 VanDerWaalsContact O-CG 3.24Å; K84-Q88 WeakPolarHBondContact O-CG 3.47Å; K84-Q88 PolarHBondContact O-N 3.42Å; S85-Q88 PolarHBondContact O-N 3.12Å; I86-Q88 VanDerWaalsContact C-N 3.29Å; I86-Q88 PolarHBondContact O-N 3.26Å; Q88-K91 VanDerWaalsContact O-CB 3.31Å; Q88-K91 WeakPolarHBondContact O-CB 3.05Å; Q88-K91 PolarHBondContact O-N 3.39Å
89Q90.8Very high88.8Confident58 Ų5853.1 Ų53.127%0.27129%0.286SS..Hα-helixtrans-71.8-33.2177.1-72.6179.873.900112.5S85 I86 V87 K91 G92 A93 L103S85-Q89 VanDerWaalsContact O-CG 3.3Å; S85-Q89 WeakPolarHBondContact O-CG 3.45Å; S85-Q89 PolarHBondContact O-N 3.13Å; S85-Q89 PolarHBondContact O-NE2 2.93Å; S85-Q89 PolarHBondContact OG-NE2 3.35Å; I86-Q89 PolarHBondContact O-N 3.15Å; V87-Q89 VanDerWaalsContact C-N 3.35Å; V87-Q89 PolarHBondContact O-N 3.38Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 3.09Å; Q89-G92 PolarHBondContact O-N 2.84Å; Q89-A93 PolarHBondContact O-N 3.15Å; Q89-L103 HydrophobicContact CB-CD1 4.09Å; Q89-L103 HydrophobicContact CB-CD2 3.54Å; Q89-L103 HydrophobicContact CB-CG 4.5Å; Q89-L103 HydrophobicContact CG-CD2 4.25Å; Q89-L103 VanDerWaalsContact OE1-CD2 3.27Å
90M87.2Confident88.6Confident12 Ų1250.6 Ų50.66%0.05928%0.276CS..Hα-helixtrans-59.4-38.2172.2-70.3171.1175.500111.8V9 I86 V87 G92 A93 M100 L103 M104V9-M90 HydrophobicContact CG2-CE 3.48Å; V9-M90 VanDerWaalsContact CG2-CE 3.48Å; I86-M90 HydrophobicContact CG2-CE 3.54Å; I86-M90 HydrophobicContact CG2-SD 4.36Å; I86-M90 WeakPolarHBondContact O-CG 3.35Å; I86-M90 PolarHBondContact O-N 3.43Å; V87-M90 WeakPolarHBondContact O-CB 3.02Å; V87-M90 PolarHBondContact O-N 3.1Å; M90-G92 PolarHBondContact O-N 2.91Å; M90-G92 VanDerWaalsContact O-N 3.14Å; M90-A93 PolarHBondContact O-N 2.77Å; M90-M100 HydrophobicContact CB-CE 4.32Å; M90-M100 HydrophobicContact CE-SD 4.21Å; M90-M100 HydrophobicContact CG-CE 4.11Å; M90-M100 HydrophobicContact CG-SD 3.88Å; M90-L103 HydrophobicContact CG-CD1 4.38Å; M90-M104 HydrophobicContact CE-CE 3.16Å
91K87.3Confident88.6Confident78 Ų7856.6 Ų56.634%0.33930%0.303SS..Hα-helixtrans-54.1-33.4174.2-165.5172.4176169.30112.5I26 E27 V87 Q88 Q89 N94I26-K91 HydrophobicContact CD1-CB 4.39Å; I26-K91 HydrophobicContact CG2-CB 4.1Å; I26-K91 HydrophobicContact CG2-CD 4.38Å; I26-K91 HydrophobicContact CG2-CG 4.4Å; E27-K91 IonicContact OE1-NZ 2.66Å; E27-K91 PolarHBondContact OE1-NZ 2.82Å; V87-K91 PolarHBondContact O-N 2.58Å; Q88-K91 VanDerWaalsContact O-CB 3.31Å; Q88-K91 WeakPolarHBondContact O-CB 3.05Å; Q88-K91 PolarHBondContact O-N 3.39Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 3.09Å; K91-N94 PolarHBondContact O-OD1 3.31Å
92G86.6Confident88.8Confident36 Ų3659.4 Ų59.437%0.37131%0.314SS..THydrogen-bonded Turntrans-89.1-8.4179.500000114.9Q89 M90 R99Q89-G92 PolarHBondContact O-N 2.84Å; M90-G92 PolarHBondContact O-N 2.91Å; M90-G92 VanDerWaalsContact O-N 3.14Å; G92-R99 PolarHBondContact O-NH1 2.79Å
93A86Confident88.8Confident3 Ų358.5 Ų58.53%0.02531%0.31CS..THydrogen-bonded Turntrans-84.4-16-172.800000113.9Q89 M90 G95 D96 R99 M100 L103Q89-A93 PolarHBondContact O-N 3.15Å; M90-A93 PolarHBondContact O-N 2.77Å; A93-G95 VanDerWaalsContact C-N 3.3Å; A93-G95 PolarHBondContact O-N 3.49Å; A93-D96 WeakPolarHBondContact O-CB 2.93Å; A93-D96 PolarHBondContact O-N 3.43Å; A93-R99 HydrophobicContact CB-CG 4.15Å; A93-M100 HydrophobicContact CB-CE 4.18Å; A93-L103 HydrophobicContact CB-CD1 4.19Å
94N79.6Confident88.8Confident138 Ų13859.5 Ų59.574%0.73831%0.314SS*.THydrogen-bonded Turntrans37.449.5169.7-75.4-4.8000116.1K91 D96K91-N94 PolarHBondContact O-OD1 3.31Å; N94-D96 VanDerWaalsContact C-N 3.27Å; N94-D96 PolarHBondContact O-N 2.77Å
95G79.8Confident88.8Confident36 Ų3658.6 Ų58.637%0.37132%0.32SS..THydrogen-bonded Turntrans76.15.3177.400000115.7A93 S97A93-G95 VanDerWaalsContact C-N 3.3Å; A93-G95 PolarHBondContact O-N 3.49Å; G95-S97 PolarHBondContact O-N 3.07Å
96D89Confident88.8Confident75 Ų7562 Ų6240%0.40134%0.337SS..  trans-68.3100.3169.4-177.7-17.5000109.6A93 N94 E98 R99 M100A93-D96 WeakPolarHBondContact O-CB 2.93Å; A93-D96 PolarHBondContact O-N 3.43Å; N94-D96 VanDerWaalsContact C-N 3.27Å; N94-D96 PolarHBondContact O-N 2.77Å; D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 PolarHBondContact O-N 2.94Å; D96-E98 PolarHBondContact OD1-N 3.05Å; D96-R99 HydrophobicContact CB-CB 3.83Å; D96-R99 PolarHBondContact O-N 2.97Å; D96-R99 PolarHBondContact OD1-N 3.29Å; D96-R99 WeakPolarHBondContact OD2-CB 3.31Å; D96-M100 WeakPolarHBondContact O-CB 3.41Å; D96-M100 PolarHBondContact O-N 3.44Å
97S87.4Confident88.8Confident97 Ų9762.2 Ų62.268%0.67834%0.338SS*.Hα-helixtrans-62.7-34.7-178.5-175.90000112.7G95 M100 H101G95-S97 PolarHBondContact O-N 3.07Å; S97-M100 PolarHBondContact O-N 2.92Å; S97-H101 WeakPolarHBondContact O-CB 3.24Å; S97-H101 PolarHBondContact O-N 3.26Å
98E90.9Very high88.9Confident145 Ų14564.7 Ų64.768%0.67836%0.358SS*.Hα-helixtrans-68.7-45.8179-175.2-178.116900109.4D96 M100 H101 N102D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 PolarHBondContact O-N 2.94Å; D96-E98 PolarHBondContact OD1-N 3.05Å; E98-M100 VanDerWaalsContact C-N 3.33Å; E98-M100 PolarHBondContact O-N 2.98Å; E98-H101 PolarHBondContact O-N 2.85Å; E98-N102 VanDerWaalsContact O-CG 3.29Å; E98-N102 PolarHBondContact O-N 3.48Å; E98-N102 PolarHBondContact O-ND2 3.04Å
99R91.2Very high88.9Confident106 Ų10664.3 Ų64.340%0.436%0.359SS..Hα-helixtrans-63.1-39175.4-172.4169.6175.1-165.3-6.9112.3G92 A93 D96 H101 N102 L103G92-R99 PolarHBondContact O-NH1 2.79Å; A93-R99 HydrophobicContact CB-CG 4.15Å; D96-R99 HydrophobicContact CB-CB 3.83Å; D96-R99 PolarHBondContact O-N 2.97Å; D96-R99 PolarHBondContact OD1-N 3.29Å; D96-R99 WeakPolarHBondContact OD2-CB 3.31Å; R99-H101 VanDerWaalsContact C-N 3.35Å; R99-N102 PolarHBondContact O-N 2.99Å; R99-L103 HydrophobicContact CG-CD1 4.46Å; R99-L103 WeakPolarHBondContact O-CB 3.41Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.29Å; R99-L103 PolarHBondContact O-N 3.11Å
100M88.1Confident88.9Confident22 Ų2262.6 Ų62.611%0.10836%0.355CS..Hα-helixtrans-63.9-41.3175.2-167.16270.400111.5Y18 M90 A93 D96 S97 E98 L103 M104Y18-M100 HydrophobicContact CE1-CE 4.42Å; M90-M100 HydrophobicContact CB-CE 4.32Å; M90-M100 HydrophobicContact CE-SD 4.21Å; M90-M100 HydrophobicContact CG-CE 4.11Å; M90-M100 HydrophobicContact CG-SD 3.88Å; A93-M100 HydrophobicContact CB-CE 4.18Å; D96-M100 WeakPolarHBondContact O-CB 3.41Å; D96-M100 PolarHBondContact O-N 3.44Å; S97-M100 PolarHBondContact O-N 2.92Å; E98-M100 VanDerWaalsContact C-N 3.33Å; E98-M100 PolarHBondContact O-N 2.98Å; M100-L103 PolarHBondContact O-N 2.8Å; M100-M104 WeakPolarHBondContact O-CG 3.46Å; M100-M104 PolarHBondContact O-N 2.9Å
101H89.8Confident89Confident144 Ų14463.8 Ų63.867%0.66736%0.362SS*.Hα-helixtrans-63.4-43.2176-167.770.1000111.9S97 E98 R99 L103 M104 G105S97-H101 WeakPolarHBondContact O-CB 3.24Å; S97-H101 PolarHBondContact O-N 3.26Å; E98-H101 PolarHBondContact O-N 2.85Å; R99-H101 VanDerWaalsContact C-N 3.35Å; H101-L103 PolarHBondContact O-N 2.99Å; H101-M104 WeakPolarHBondContact O-CB 3.2Å; H101-M104 PolarHBondContact O-N 3.47Å; H101-M104 VanDerWaalsContact O-N 3.17Å; H101-G105 PolarHBondContact O-N 2.73Å; H101-G105 VanDerWaalsContact O-N 3.07Å
102N92.8Very high89.1Confident87 Ų8766.1 Ų66.147%0.46537%0.373SS..Hα-helixtrans-62-42.2175-68.3-27.1000111.6E98 R99 M104 G105 D106E98-N102 VanDerWaalsContact O-CG 3.29Å; E98-N102 PolarHBondContact O-N 3.48Å; E98-N102 PolarHBondContact O-ND2 3.04Å; R99-N102 PolarHBondContact O-N 2.99Å; N102-M104 VanDerWaalsContact C-N 3.26Å; N102-M104 PolarHBondContact O-N 2.85Å; N102-G105 PolarHBondContact O-N 2.73Å; N102-G105 VanDerWaalsContact O-N 3.16Å; N102-D106 PolarHBondContact O-N 2.74Å
103L92Very high89.1Confident5 Ų570.8 Ų70.83%0.02639%0.386CS..Hα-helixtrans-61.7-33.2175.2-74.1172.2000112.7Q89 M90 A93 R99 M100 H101 Y107Q89-L103 HydrophobicContact CB-CD1 4.09Å; Q89-L103 HydrophobicContact CB-CD2 3.54Å; Q89-L103 HydrophobicContact CB-CG 4.5Å; Q89-L103 HydrophobicContact CG-CD2 4.25Å; Q89-L103 VanDerWaalsContact OE1-CD2 3.27Å; M90-L103 HydrophobicContact CG-CD1 4.38Å; A93-L103 HydrophobicContact CB-CD1 4.19Å; R99-L103 HydrophobicContact CG-CD1 4.46Å; R99-L103 WeakPolarHBondContact O-CB 3.41Å; R99-L103 VanDerWaalsContact O-CG 3.27Å; R99-L103 WeakPolarHBondContact O-CG 3.29Å; R99-L103 PolarHBondContact O-N 3.11Å; M100-L103 PolarHBondContact O-N 2.8Å; H101-L103 PolarHBondContact O-N 2.99Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 PolarHBondContact O-N 2.86Å
104M90.2Very high89.1Confident31 Ų3171.4 Ų71.415%0.15339%0.388CS..Hα-helixtrans-70.2-39174.8-69.1-56.799.400112.4V9 I86 M90 M100 H101 N102 Y107 A108V9-M104 HydrophobicContact CB-SD 4.01Å; V9-M104 HydrophobicContact CG1-CE 4.28Å; V9-M104 HydrophobicContact CG1-CG 4.39Å; V9-M104 HydrophobicContact CG1-SD 3.2Å; V9-M104 WeakPolarHBondContact CG1-SD 3.46Å; V9-M104 HydrophobicContact CG2-CE 3.6Å; V9-M104 HydrophobicContact CG2-SD 3.53Å; V9-M104 VanDerWaalsContact CG2-SD 3.53Å; I86-M104 HydrophobicContact CG2-CE 4.17Å; M90-M104 HydrophobicContact CE-CE 3.16Å; M100-M104 WeakPolarHBondContact O-CG 3.46Å; M100-M104 PolarHBondContact O-N 2.9Å; H101-M104 WeakPolarHBondContact O-CB 3.2Å; H101-M104 PolarHBondContact O-N 3.47Å; H101-M104 VanDerWaalsContact O-N 3.17Å; N102-M104 VanDerWaalsContact C-N 3.26Å; N102-M104 PolarHBondContact O-N 2.85Å; M104-Y107 PolarHBondContact O-N 3.36Å; M104-A108 WeakPolarHBondContact O-CB 3.3Å; M104-A108 PolarHBondContact O-N 3.45Å
105G92.3Very high89.3Confident34 Ų3470.3 Ų70.335%0.35139%0.387SS..Hα-helixtrans-59.6-50170.300000111.5H101 N102 Y107 A108 D109H101-G105 PolarHBondContact O-N 2.73Å; H101-G105 VanDerWaalsContact O-N 3.07Å; N102-G105 PolarHBondContact O-N 2.73Å; N102-G105 VanDerWaalsContact O-N 3.16Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 PolarHBondContact O-N 3.43Å; G105-A108 PolarHBondContact O-N 3.42Å; G105-D109 WeakPolarHBondContact O-CB 3.18Å; G105-D109 PolarHBondContact O-N 3.41Å
106D91.7Very high89.5Confident88 Ų8875 Ų7547%0.47140%0.397SS..Hα-helixtrans-59.4-39.6178.1-72.8-18.1000112.2N102 A110N102-D106 PolarHBondContact O-N 2.74Å; D106-A110 VanDerWaalsContact O-CB 3.24Å; D106-A110 WeakPolarHBondContact O-CB 3.22Å; D106-A110 PolarHBondContact O-N 2.69Å
107Y91.6Very high88.9Confident12 Ų1271.9 Ų71.95%0.04738%0.382CS..Hα-helixtrans-65.5-47.1176.6179.3-121.1000112V5 E6 I82 D83 I86 L103 M104 G105 D109 A110 L111V5-Y107 HydrophobicContact CG1-CE1 4.28Å; V5-Y107 HydrophobicContact CG1-CE2 4.22Å; E6-Y107 HydrophobicContact CG-CE1 4.17Å; I82-Y107 HydrophobicContact CG2-CD2 3.72Å; I82-Y107 HydrophobicContact CG2-CE2 3.89Å; D83-Y107 VanDerWaalsContact OD1-CE2 3.26Å; D83-Y107 WeakPolarHBondContact OD1-CE2 3.48Å; D83-Y107 PolarHBondContact OD1-OH 3.37Å; I86-Y107 HydrophobicContact CB-CD2 4.36Å; I86-Y107 HydrophobicContact CG1-CD2 3.69Å; I86-Y107 HydrophobicContact CG1-CG 4.17Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 PolarHBondContact O-N 2.86Å; M104-Y107 PolarHBondContact O-N 3.36Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 PolarHBondContact O-N 3.43Å; Y107-D109 VanDerWaalsContact C-N 3.35Å; Y107-D109 PolarHBondContact O-N 3.38Å; Y107-A110 PolarHBondContact O-N 3.06Å; Y107-L111 HydrophobicContact CD1-CD1 4.15Å; Y107-L111 HydrophobicContact CD2-CD1 4.45Å; Y107-L111 HydrophobicContact CD2-CG 4.23Å; Y107-L111 HydrophobicContact CE1-CD1 3.56Å; Y107-L111 HydrophobicContact CE1-CG 4.34Å; Y107-L111 HydrophobicContact CE2-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 4.07Å; Y107-L111 HydrophobicContact CE2-CG 3.88Å; Y107-L111 VanDerWaalsContact CZ-CD1 3.46Å; Y107-L111 WeakPolarHBondContact O-CG 3.28Å; Y107-L111 PolarHBondContact O-N 3.43Å
108A92.1Very high88.5Confident54 Ų5475 Ų7545%0.44638%0.383SS..Hα-helixtrans-61.4-43.5177.500000111.6M104 G105 L111 Q112M104-A108 WeakPolarHBondContact O-CB 3.3Å; M104-A108 PolarHBondContact O-N 3.45Å; G105-A108 PolarHBondContact O-N 3.42Å; A108-L111 PolarHBondContact O-N 3.33Å; A108-Q112 WeakPolarHBondContact O-CB 3.44Å; A108-Q112 PolarHBondContact O-N 2.95Å
109D91.4Very high87.9Confident90 Ų9072.8 Ų72.848%0.48138%0.376SS..Hα-helixtrans-63.2-41.9176.1-77.4-8.1000111.6G105 Y107 Q112 Q113G105-D109 WeakPolarHBondContact O-CB 3.18Å; G105-D109 PolarHBondContact O-N 3.41Å; Y107-D109 VanDerWaalsContact C-N 3.35Å; Y107-D109 PolarHBondContact O-N 3.38Å; D109-Q112 PolarHBondContact O-N 3.24Å; D109-Q113 WeakPolarHBondContact O-CG 3.35Å; D109-Q113 PolarHBondContact O-N 3.25Å
110A89.6Confident87.5Confident22 Ų2269.3 Ų69.318%0.18237%0.365CS..Hα-helixtrans-64.7-43.5176.700000112I82 D106 Y107 Q113 L114I82-A110 HydrophobicContact CD1-CB 4Å; I82-A110 HydrophobicContact CG1-CB 4.19Å; I82-A110 HydrophobicContact CG2-CB 3.79Å; D106-A110 VanDerWaalsContact O-CB 3.24Å; D106-A110 WeakPolarHBondContact O-CB 3.22Å; D106-A110 PolarHBondContact O-N 2.69Å; Y107-A110 PolarHBondContact O-N 3.06Å; A110-Q113 WeakPolarHBondContact O-CB 3.41Å; A110-Q113 PolarHBondContact O-N 3.35Å; A110-L114 PolarHBondContact O-N 3.25Å
111L89.6Confident87.2Confident37 Ų3774.4 Ų74.419%0.19439%0.388CS..Hα-helixtrans-64.4-39.2174.2-72.6-176.3000112K79 Y107 A108 Q113 L114 T115K79-L111 HydrophobicContact CG-CD2 4.19Å; Y107-L111 HydrophobicContact CD1-CD1 4.15Å; Y107-L111 HydrophobicContact CD2-CD1 4.45Å; Y107-L111 HydrophobicContact CD2-CG 4.23Å; Y107-L111 HydrophobicContact CE1-CD1 3.56Å; Y107-L111 HydrophobicContact CE1-CG 4.34Å; Y107-L111 HydrophobicContact CE2-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 4.07Å; Y107-L111 HydrophobicContact CE2-CG 3.88Å; Y107-L111 VanDerWaalsContact CZ-CD1 3.46Å; Y107-L111 WeakPolarHBondContact O-CG 3.28Å; Y107-L111 PolarHBondContact O-N 3.43Å; A108-L111 PolarHBondContact O-N 3.33Å; L111-Q113 VanDerWaalsContact C-N 3.27Å; L111-Q113 PolarHBondContact O-N 3.17Å; L111-L114 HydrophobicContact CD2-CD1 4.05Å; L111-L114 WeakPolarHBondContact O-CB 3.25Å; L111-L114 PolarHBondContact O-N 3.12Å; L111-L114 VanDerWaalsContact O-N 3.1Å; L111-T115 PolarHBondContact O-N 3.35Å
112Q90.4Very high86.7Confident126 Ų12668.1 Ų68.159%0.58936%0.359SS*.Hα-helixtrans-63-36.6175.7-166.4-177.229.200111A108 D109 L114 T115A108-Q112 WeakPolarHBondContact O-CB 3.44Å; A108-Q112 PolarHBondContact O-N 2.95Å; D109-Q112 PolarHBondContact O-N 3.24Å; Q112-L114 VanDerWaalsContact C-N 3.3Å; Q112-L114 PolarHBondContact O-N 3.13Å; Q112-T115 WeakPolarHBondContact O-CB 3.26Å; Q112-T115 PolarHBondContact O-N 2.84Å; Q112-T115 VanDerWaalsContact O-N 3.15Å; Q112-T115 PolarHBondContact O-OG1 3.34Å
113Q86.6Confident86Confident135 Ų13565.2 Ų65.263%0.63134%0.342SS*.Hα-helixtrans-64.6-32.9174.1-71174.932.200112.7D109 A110 L111 T115 K116D109-Q113 WeakPolarHBondContact O-CG 3.35Å; D109-Q113 PolarHBondContact O-N 3.25Å; A110-Q113 WeakPolarHBondContact O-CB 3.41Å; A110-Q113 PolarHBondContact O-N 3.35Å; L111-Q113 VanDerWaalsContact C-N 3.27Å; L111-Q113 PolarHBondContact O-N 3.17Å; Q113-T115 PolarHBondContact O-N 3.19Å; Q113-K116 CarbonylContact O-C 3.36Å; Q113-K116 WeakPolarHBondContact O-CA 2.98Å; Q113-K116 WeakPolarHBondContact O-CB 3.44Å; Q113-K116 PolarHBondContact O-N 3.39Å
114L85.9Confident85.8Confident15 Ų1570.2 Ų70.28%0.07936%0.364CS..Hα-helixtrans-64-27.9173.2-65.6-178.3000113.2Q78 K79 I82 A110 L111 Q112 K116 A117 M120Q78-L114 HydrophobicContact CB-CD2 3.63Å; K79-L114 HydrophobicContact CB-CD1 3.85Å; K79-L114 HydrophobicContact CG-CD1 4.34Å; I82-L114 HydrophobicContact CD1-CD1 3.69Å; I82-L114 HydrophobicContact CD1-CD2 3.8Å; I82-L114 HydrophobicContact CD1-CG 3.64Å; A110-L114 PolarHBondContact O-N 3.25Å; L111-L114 HydrophobicContact CD2-CD1 4.05Å; L111-L114 WeakPolarHBondContact O-CB 3.25Å; L111-L114 PolarHBondContact O-N 3.12Å; L111-L114 VanDerWaalsContact O-N 3.1Å; Q112-L114 VanDerWaalsContact C-N 3.3Å; Q112-L114 PolarHBondContact O-N 3.13Å; L114-K116 PolarHBondContact O-N 2.89Å; L114-K116 VanDerWaalsContact O-N 3.16Å; L114-A117 WeakPolarHBondContact O-CA 3.37Å; L114-A117 WeakPolarHBondContact O-CB 3.42Å; L114-A117 PolarHBondContact O-N 2.92Å; L114-M120 HydrophobicContact CD2-CE 3.73Å; L114-M120 HydrophobicContact CD2-SD 3.73Å
115T82.4Confident85.5Confident116 Ų11674.1 Ų74.171%0.71238%0.38SS*.Hα-helixtrans-63-21.2174.269.90000112.2L111 Q112 Q113 A117L111-T115 PolarHBondContact O-N 3.35Å; Q112-T115 WeakPolarHBondContact O-CB 3.26Å; Q112-T115 PolarHBondContact O-N 2.84Å; Q112-T115 VanDerWaalsContact O-N 3.15Å; Q112-T115 PolarHBondContact O-OG1 3.34Å; Q113-T115 PolarHBondContact O-N 3.19Å; T115-A117 VanDerWaalsContact C-N 3.3Å; T115-A117 PolarHBondContact O-N 3.36Å
116K84.7Confident84.9Confident133 Ų13373.3 Ų73.358%0.57837%0.367SS*.THydrogen-bonded Turntrans-95.339170.1-57.1-178.2-176175.40111.4Q113 L114 K118 D119Q113-K116 CarbonylContact O-C 3.36Å; Q113-K116 WeakPolarHBondContact O-CA 2.98Å; Q113-K116 WeakPolarHBondContact O-CB 3.44Å; Q113-K116 PolarHBondContact O-N 3.39Å; L114-K116 PolarHBondContact O-N 2.89Å; L114-K116 VanDerWaalsContact O-N 3.16Å; K116-K118 PolarHBondContact O-N 3.37Å; K116-D119 HydrophobicContact CB-CB 4.45Å; K116-D119 WeakPolarHBondContact O-CB 3.49Å; K116-D119 PolarHBondContact O-N 2.92Å
117A75.9Confident84.5Confident10 Ų1070.6 Ų70.68%0.08335%0.352CS..G310 helixtrans-47.2-36-178.200000113.8I75 L114 T115 D119 M120 F123I75-A117 HydrophobicContact CD1-CB 3.75Å; I75-A117 HydrophobicContact CG1-CB 3.75Å; L114-A117 WeakPolarHBondContact O-CA 3.37Å; L114-A117 WeakPolarHBondContact O-CB 3.42Å; L114-A117 PolarHBondContact O-N 2.92Å; T115-A117 VanDerWaalsContact C-N 3.3Å; T115-A117 PolarHBondContact O-N 3.36Å; A117-D119 PolarHBondContact O-N 3.37Å; A117-M120 WeakPolarHBondContact O-CB 3.35Å; A117-M120 WeakPolarHBondContact O-CG 3.45Å; A117-M120 PolarHBondContact O-N 3.32Å; A117-M120 VanDerWaalsContact O-N 3.09Å; A117-F123 WeakPolarHBondContact O-CB 3.28Å; A117-F123 WeakPolarHBondContact O-CG 3.43Å
118K79.6Confident84.2Confident163 Ų16372 Ų7271%0.70937%0.366SS*.G310 helixtrans-60.2-25.5177.5-66.8-177.5-179.4176.10114K116 F123K116-K118 PolarHBondContact O-N 3.37Å; K118-F123 HydrophobicContact CG-CE1 4.12Å
119D78.6Confident83.5Confident99 Ų9971.3 Ų71.353%0.52936%0.356SS..G310 helixtrans-85.8-14179.8-69.7-38000113.4K116 A117 K124K116-D119 HydrophobicContact CB-CB 4.45Å; K116-D119 WeakPolarHBondContact O-CB 3.49Å; K116-D119 PolarHBondContact O-N 2.92Å; A117-D119 PolarHBondContact O-N 3.37Å; D119-K124 WeakPolarHBondContact O-CE 3.41Å; D119-K124 PolarHBondContact O-NZ 2.97Å; D119-K124 IonicContact OD1-NZ 3.99Å
120M80.9Confident82.8Confident32 Ų3269.4 Ų69.416%0.15834%0.343CS..SBendtrans-67138.8-177.5-59.6-173.377.200110.9Q78 L114 A117 E122 F123 K124Q78-M120 HydrophobicContact CB-CE 4.24Å; Q78-M120 HydrophobicContact CG-CE 3.94Å; Q78-M120 VanDerWaalsContact OE1-CE 3.28Å; Q78-M120 PolarHBondContact OE1-SD 2.98Å; L114-M120 HydrophobicContact CD2-CE 3.73Å; L114-M120 HydrophobicContact CD2-SD 3.73Å; A117-M120 WeakPolarHBondContact O-CB 3.35Å; A117-M120 WeakPolarHBondContact O-CG 3.45Å; A117-M120 PolarHBondContact O-N 3.32Å; A117-M120 VanDerWaalsContact O-N 3.09Å; M120-E122 VanDerWaalsContact C-N 3.27Å; M120-E122 PolarHBondContact O-N 3.41Å; M120-F123 HydrophobicContact CB-CB 4.24Å; M120-F123 PolarHBondContact O-N 2.67Å; M120-F123 VanDerWaalsContact O-N 3.12Å; M120-K124 WeakPolarHBondContact O-CG 3.47Å; M120-K124 PolarHBondContact O-N 3.49Å
121H83.3Confident82.5Confident130 Ų13072.8 Ų72.860%0.60236%0.355SS*.Hα-helixtrans-58.3-40.8-176.3171.3-95.2000111.8K124 K125H121-K124 PolarHBondContact O-N 3.33Å; H121-K125 WeakPolarHBondContact O-CB 3.36Å; H121-K125 PolarHBondContact O-N 2.98Å
122E77.8Confident82.1Confident12 Ų1277.5 Ų77.56%0.05638%0.376CS..Hα-helixtrans-65.1-41.7177.6-63.769.3-148.400111.5L74 Q78 M120 K125 F126 F477 L484L74-E122 HydrophobicContact CD1-CB 4.14Å; L74-E122 HydrophobicContact CD2-CB 4.09Å; Q78-E122 PolarHBondContact NE2-OE2 2.88Å; M120-E122 VanDerWaalsContact C-N 3.27Å; M120-E122 PolarHBondContact O-N 3.41Å; E122-K125 PolarHBondContact O-N 3.17Å; E122-F126 VanDerWaalsContact O-CB 3.32Å; E122-F126 WeakPolarHBondContact O-CB 3.38Å; E122-F126 PolarHBondContact O-N 2.88Å; E122-F477 VanDerWaalsContact OE1-CD1 3.24Å; E122-F477 WeakPolarHBondContact OE1-CD1 3.2Å; E122-L484 HydrophobicContact CB-CD1 3.97Å; E122-L484 HydrophobicContact CG-CD1 3.75Å
123F79.9Confident81Confident26 Ų2673.6 Ų73.611%0.11436%0.358CS..Hα-helixtrans-67.8-41.2178.2-168.1-82.2000110.8L74 A117 K118 M120 K125 F126 N127L74-F123 HydrophobicContact CD2-CB 3.98Å; L74-F123 HydrophobicContact CD2-CD2 4.06Å; L74-F123 HydrophobicContact CD2-CG 4.47Å; A117-F123 WeakPolarHBondContact O-CB 3.28Å; A117-F123 WeakPolarHBondContact O-CG 3.43Å; K118-F123 HydrophobicContact CG-CE1 4.12Å; M120-F123 HydrophobicContact CB-CB 4.24Å; M120-F123 PolarHBondContact O-N 2.67Å; M120-F123 VanDerWaalsContact O-N 3.12Å; F123-K125 VanDerWaalsContact C-N 3.35Å; F123-F126 PolarHBondContact O-N 3.44Å; F123-N127 HydrophobicContact CD1-CB 4.47Å; F123-N127 HydrophobicContact CE1-CB 4.4Å; F123-N127 WeakPolarHBondContact O-CB 3.42Å; F123-N127 PolarHBondContact O-N 3.41Å
124K87Confident80.3Confident109 Ų10969.3 Ų69.347%0.47435%0.346SS..Hα-helixtrans-60.6-44173.2-76.3172.6173154.90111.4D119 M120 H121 N127 A128D119-K124 WeakPolarHBondContact O-CE 3.41Å; D119-K124 PolarHBondContact O-NZ 2.97Å; D119-K124 IonicContact OD1-NZ 3.99Å; M120-K124 WeakPolarHBondContact O-CG 3.47Å; M120-K124 PolarHBondContact O-N 3.49Å; H121-K124 PolarHBondContact O-N 3.33Å; K124-N127 PolarHBondContact O-N 2.89Å; K124-A128 WeakPolarHBondContact O-CB 3.39Å; K124-A128 PolarHBondContact O-N 3.47Å
125K84.6Confident79.8Confident114 Ų11477 Ų7750%0.49638%0.379SS..Hα-helixtrans-63.2-49.4176.2-173.5178-180-179.60111.2H121 E122 F123 N127 A128 T129H121-K125 WeakPolarHBondContact O-CB 3.36Å; H121-K125 PolarHBondContact O-N 2.98Å; E122-K125 PolarHBondContact O-N 3.17Å; F123-K125 VanDerWaalsContact C-N 3.35Å; K125-N127 VanDerWaalsContact C-N 3.34Å; K125-N127 PolarHBondContact O-N 3.47Å; K125-A128 PolarHBondContact O-N 2.88Å; K125-T129 WeakPolarHBondContact O-CB 3.45Å; K125-T129 PolarHBondContact O-N 3.27Å; K125-T129 PolarHBondContact O-OG1 2.91Å; K125-T129 VanDerWaalsContact O-OG1 3.07Å
126F79.5Confident79Confident17 Ų1774.8 Ų74.88%0.07537%0.373CS..Hα-helixtrans-55.5-49.5174.8169-105.9000111.3R67 L70 E122 F123 A128 T129 Y130 I491R67-F126 HydrophobicContact CG-CE1 4.17Å; R67-F126 HydrophobicContact CG-CZ 4.32Å; L70-F126 HydrophobicContact CB-CE2 3.88Å; L70-F126 HydrophobicContact CB-CZ 3.64Å; L70-F126 HydrophobicContact CD1-CE2 3.82Å; L70-F126 HydrophobicContact CD1-CZ 4.05Å; L70-F126 HydrophobicContact CG-CE2 4.48Å; E122-F126 VanDerWaalsContact O-CB 3.32Å; E122-F126 WeakPolarHBondContact O-CB 3.38Å; E122-F126 PolarHBondContact O-N 2.88Å; F123-F126 PolarHBondContact O-N 3.44Å; F126-A128 PolarHBondContact O-N 2.81Å; F126-T129 PolarHBondContact O-N 2.88Å; F126-Y130 VanDerWaalsContact O-CB 3.3Å; F126-Y130 WeakPolarHBondContact O-CB 3.16Å; F126-Y130 PolarHBondContact O-N 3.38Å; F126-I491 HydrophobicContact CE2-CD1 4.19Å
127N83Confident77.6Confident31 Ų3174.3 Ų74.317%0.16638%0.376CS..Hα-helixtrans-67.2-36.5-179.2-171.467.4000112.4R67 F123 K124 K125 Q131R67-N127 PolarHBondContact NH2-OD1 3.16Å; F123-N127 HydrophobicContact CD1-CB 4.47Å; F123-N127 HydrophobicContact CE1-CB 4.4Å; F123-N127 WeakPolarHBondContact O-CB 3.42Å; F123-N127 PolarHBondContact O-N 3.41Å; K124-N127 PolarHBondContact O-N 2.89Å; K125-N127 VanDerWaalsContact C-N 3.34Å; K125-N127 PolarHBondContact O-N 3.47Å; N127-Q131 PolarHBondContact ND2-NE2 2.93Å; N127-Q131 WeakPolarHBondContact O-CB 3.49Å; N127-Q131 VanDerWaalsContact O-CG 3.23Å; N127-Q131 WeakPolarHBondContact O-CG 3.49Å; N127-Q131 PolarHBondContact O-N 3.21Å
128A85.1Confident76.3Confident40 Ų4079.1 Ų79.133%0.33141%0.408SS..Hα-helixtrans-66.6-45.2174.900000111.4K124 K125 F126 Q131 Q132K124-A128 WeakPolarHBondContact O-CB 3.39Å; K124-A128 PolarHBondContact O-N 3.47Å; K125-A128 PolarHBondContact O-N 2.88Å; F126-A128 PolarHBondContact O-N 2.81Å; A128-Q131 PolarHBondContact O-N 2.97Å; A128-Q132 WeakPolarHBondContact O-CB 3.38Å; A128-Q132 VanDerWaalsContact O-CG 3.31Å; A128-Q132 WeakPolarHBondContact O-CG 3.36Å; A128-Q132 PolarHBondContact O-N 2.97Å
129T77.2Confident74.5Confident40 Ų4077.9 Ų77.925%0.24541%0.414CS..Hα-helixtrans-61-45.2174.2-61.60000110.9K125 F126 Q131 Q132 M133K125-T129 WeakPolarHBondContact O-CB 3.45Å; K125-T129 PolarHBondContact O-N 3.27Å; K125-T129 PolarHBondContact O-OG1 2.91Å; K125-T129 VanDerWaalsContact O-OG1 3.07Å; F126-T129 PolarHBondContact O-N 2.88Å; T129-Q131 PolarHBondContact O-N 3.04Å; T129-Q132 PolarHBondContact O-N 3.33Å; T129-M133 HydrophobicContact CG2-CE 3.4Å; T129-M133 VanDerWaalsContact CG2-CE 3.4Å; T129-M133 HydrophobicContact CG2-SD 3.87Å; T129-M133 VanDerWaalsContact O-CG 3.23Å; T129-M133 WeakPolarHBondContact O-CG 2.92Å; T129-M133 PolarHBondContact O-N 3.22Å
130Y77.5Confident72.7Confident50 Ų5076.6 Ų76.620%0.19642%0.417CS..Hα-helixtrans-59.6-45174.3-177.9-86.1000112.2R67 F126 M133 A134R67-Y130 HydrophobicContact CB-CD2 4.47Å; R67-Y130 HydrophobicContact CB-CE2 3.89Å; R67-Y130 HydrophobicContact CG-CD2 4.35Å; R67-Y130 HydrophobicContact CG-CE2 4.14Å; F126-Y130 VanDerWaalsContact O-CB 3.3Å; F126-Y130 WeakPolarHBondContact O-CB 3.16Å; F126-Y130 PolarHBondContact O-N 3.38Å; Y130-M133 PolarHBondContact O-N 2.75Å; Y130-A134 WeakPolarHBondContact O-CB 3.35Å; Y130-A134 PolarHBondContact O-N 3.48Å
131Q82.8Confident70.9Confident93 Ų9382.3 Ų82.344%0.43545%0.447SS..Hα-helixtrans-66.2-36.5177.1-77.7177.9-2.800112.5N127 A128 T129 M133 K135N127-Q131 PolarHBondContact ND2-NE2 2.93Å; N127-Q131 WeakPolarHBondContact O-CB 3.49Å; N127-Q131 VanDerWaalsContact O-CG 3.23Å; N127-Q131 WeakPolarHBondContact O-CG 3.49Å; N127-Q131 PolarHBondContact O-N 3.21Å; A128-Q131 PolarHBondContact O-N 2.97Å; T129-Q131 PolarHBondContact O-N 3.04Å; Q131-M133 VanDerWaalsContact C-N 3.33Å; Q131-K135 WeakPolarHBondContact O-CB 3.27Å; Q131-K135 WeakPolarHBondContact O-CG 3.45Å; Q131-K135 PolarHBondContact O-N 3.17Å
132Q80.6Confident68.9Low137 Ų13784.6 Ų84.664%0.6446%0.458SS*.Hα-helixtrans-64.2-41173.2-75.8174.9-4.700110.9A128 T129 K135 A136A128-Q132 WeakPolarHBondContact O-CB 3.38Å; A128-Q132 VanDerWaalsContact O-CG 3.31Å; A128-Q132 WeakPolarHBondContact O-CG 3.36Å; A128-Q132 PolarHBondContact O-N 2.97Å; T129-Q132 PolarHBondContact O-N 3.33Å; Q132-K135 PolarHBondContact O-N 3.4Å; Q132-A136 WeakPolarHBondContact O-CB 3.45Å; Q132-A136 PolarHBondContact O-N 2.7Å
133M67.1Low67.3Low43 Ų4388.6 Ų88.621%0.21248%0.483CS..Hα-helixtrans-66.5-46176.4-70162.3171.700112.1T129 Y130 Q131 K135 A136 I491 I495T129-M133 HydrophobicContact CG2-CE 3.4Å; T129-M133 VanDerWaalsContact CG2-CE 3.4Å; T129-M133 HydrophobicContact CG2-SD 3.87Å; T129-M133 VanDerWaalsContact O-CG 3.23Å; T129-M133 WeakPolarHBondContact O-CG 2.92Å; T129-M133 PolarHBondContact O-N 3.22Å; Y130-M133 PolarHBondContact O-N 2.75Å; Q131-M133 VanDerWaalsContact C-N 3.33Å; M133-K135 VanDerWaalsContact C-N 3.27Å; M133-K135 PolarHBondContact O-N 3.13Å; M133-A136 WeakPolarHBondContact O-CB 3.49Å; M133-A136 PolarHBondContact O-N 2.76Å; M133-I491 HydrophobicContact CE-CB 4.14Å; M133-I491 HydrophobicContact CE-CG2 3.53Å; M133-I491 HydrophobicContact SD-CB 4.45Å; M133-I491 HydrophobicContact SD-CG2 3.32Å; M133-I491 WeakPolarHBondContact SD-CG2 3.34Å; M133-I495 HydrophobicContact CB-CD1 3.89Å; M133-I495 HydrophobicContact CE-CD1 4.19Å; M133-I495 HydrophobicContact CG-CD1 3.64Å; M133-I495 HydrophobicContact SD-CD1 3.7Å
134A72.4Confident65.5Low46 Ų4693.6 Ų93.638%0.3852%0.522SS..Hα-helixtrans-63.3-33.6175.900000112.3Y130 A136 D137Y130-A134 WeakPolarHBondContact O-CB 3.35Å; Y130-A134 PolarHBondContact O-N 3.48Å; A134-A136 VanDerWaalsContact C-N 3.33Å; A134-D137 WeakPolarHBondContact O-CB 3.44Å; A134-D137 PolarHBondContact O-N 2.76Å
135K75.6Confident63.6Low175 Ų17592.3 Ų92.376%0.76153%0.527SS*.Hα-helixtrans-75.5-21.8173.7-74.7176.3-178.4-175.90113.5Q131 Q132 M133 D137Q131-K135 WeakPolarHBondContact O-CB 3.27Å; Q131-K135 WeakPolarHBondContact O-CG 3.45Å; Q131-K135 PolarHBondContact O-N 3.17Å; Q132-K135 PolarHBondContact O-N 3.4Å; M133-K135 VanDerWaalsContact C-N 3.27Å; M133-K135 PolarHBondContact O-N 3.13Å; K135-D137 PolarHBondContact O-N 2.76Å
136A66.7Low62.1Low71 Ų7190.7 Ų90.759%0.58753%0.529SS*.THydrogen-bonded Turntrans-75.64.9175.400000112.5Q132 M133 A134 C138Q132-A136 WeakPolarHBondContact O-CB 3.45Å; Q132-A136 PolarHBondContact O-N 2.7Å; M133-A136 WeakPolarHBondContact O-CB 3.49Å; M133-A136 PolarHBondContact O-N 2.76Å; A134-A136 VanDerWaalsContact C-N 3.33Å; A136-C138 PolarHBondContact O-N 3.28Å
137D54.8Low61.3Low123 Ų12395 Ų9566%0.65855%0.553SS**THydrogen-bonded Turntrans-45.4112.8170.8-94.7-22.5000111.8A134 K135 V139A134-D137 WeakPolarHBondContact O-CB 3.44Å; A134-D137 PolarHBondContact O-N 2.76Å; K135-D137 PolarHBondContact O-N 2.76Å; D137-V139 PolarHBondContact O-N 2.94Å
138C47.9Very low60.8Low111 Ų11196.1 Ų96.175%0.7556%0.562SS**THydrogen-bonded Turntrans66.916.3156.5-63.60000119.8A136 A140A136-C138 PolarHBondContact O-N 3.28Å; C138-A140 VanDerWaalsContact C-N 3.27Å; C138-A140 PolarHBondContact O-N 2.78Å
139V43Very low60.6Low137 Ų13798.4 Ų98.483%0.8357%0.571SS**  trans-80.588.2161-174.80000108.9D137 L141D137-V139 PolarHBondContact O-N 2.94Å; V139-L141 PolarHBondContact O-N 2.68Å
140A40.9Very low61.2Low72 Ų7299.9 Ų99.960%0.59558%0.577SS**  trans-26.895156.700000113.3C138 E142C138-A140 VanDerWaalsContact C-N 3.27Å; C138-A140 PolarHBondContact O-N 2.78Å; A140-E142 HydrophobicContact CB-CG 4.18Å
141L41.5Very low62Low151 Ų15197.5 Ų97.579%0.79157%0.567SS**  trans-89.181.1136-89.6154.7000105.3V139 T143V139-L141 PolarHBondContact O-N 2.68Å; L141-T143 HydrophobicContact CD2-CG2 4.48Å; L141-T143 PolarHBondContact O-N 2.77Å
142E41.8Very low62.3Low179 Ų17996.1 Ų96.184%0.83657%0.566SS**  trans-62.162.2156.6-75.4-179.1165.100108.9A140 S144A140-E142 HydrophobicContact CB-CG 4.18Å; E142-S144 PolarHBondContact O-N 3.48Å
143T44.2Very low62.8Low95 Ų9592.7 Ų92.758%0.58355%0.552SS**  trans-78.3102.115244.90000105.1L141 S145L141-T143 HydrophobicContact CD2-CG2 4.48Å; L141-T143 PolarHBondContact O-N 2.77Å; T143-S145 PolarHBondContact O-N 3.49Å
144S42.8Very low64Low131 Ų13193.2 Ų93.292%0.91656%0.558SS**  trans-61.230.6179.345.20000114.8E142E142-S144 PolarHBondContact O-N 3.48Å
145S47.2Very low65Low83 Ų8398.2 Ų98.258%0.5857%0.571SS**  trans-107.5103.1-172.655.40000110.8T143T143-S145 PolarHBondContact O-N 3.49Å
146S52.8Low65.9Low79 Ų7996.6 Ų96.655%0.55256%0.564SS**  trans33.6125155.359.10000119.1T148S146-T148 PolarHBondContact O-N 2.93Å
147D62.3Low67.1Low108 Ų10896.2 Ų96.258%0.57856%0.555SS**SBendtrans-44.9-9173.4-84.6-50.5000118.6K500D147-K500 WeakPolarHBondContact OD1-CD 3.35Å; D147-K500 WeakPolarHBondContact OD1-CE 3.2Å; D147-K500 IonicContact OD1-NZ 2.63Å; D147-K500 PolarHBondContact OD1-NZ 3.46Å; D147-K500 IonicContact OD2-NZ 2.66Å; D147-K500 PolarHBondContact OD2-NZ 3.41Å
148T72Confident68.9Low55 Ų5592 Ų9234%0.33753%0.532SS..SBendtrans-105.3115.5-170.449.40000108.6S146 I150 P157S146-T148 PolarHBondContact O-N 2.93Å; T148-I150 WeakPolarHBondContact O-CD1 3.46Å; T148-I150 WeakPolarHBondContact O-CG1 3.43Å; T148-I150 PolarHBondContact O-N 3.46Å; T148-P157 HydrophobicContact CG2-CB 3.64Å; T148-P157 HydrophobicContact CG2-CG 3.71Å
149V82.8Confident71Confident88 Ų8892.9 Ų92.953%0.53353%0.534SS..  trans-61.1115169.6-163.10000107.1M158V149-M158 HydrophobicContact CB-CE 3.56Å; V149-M158 HydrophobicContact CG1-CE 3.08Å; V149-M158 WeakPolarHBondContact O-CB 3.31Å; V149-M158 PolarHBondContact O-N 3.21Å
150I89.4Confident73.3Confident70 Ų7089.5 Ų89.536%0.35951%0.511SS..BIsolated β-bridgetrans-86.1126.6-175.1-58.7-58.4000109.4T148 K155 K156 P157T148-I150 WeakPolarHBondContact O-CD1 3.46Å; T148-I150 WeakPolarHBondContact O-CG1 3.43Å; T148-I150 PolarHBondContact O-N 3.46Å; I150-K155 VanDerWaalsContact CG2-C 3.47Å; I150-K156 WeakPolarHBondContact CA-O 2.82Å; I150-P157 HydrophobicContact CD1-CG 4.1Å
151D92.8Very high75.8Confident0 Ų088.1 Ų88.10%050%0.496CS..  trans-66.3129.1174.6170.452.9000110.6I153 T154 K155 K156 M158 Y171 E172D151-I153 PolarHBondContact O-N 2.89Å; D151-I153 WeakPolarHBondContact OD2-CB 3.4Å; D151-I153 PolarHBondContact OD2-N 3.32Å; D151-T154 WeakPolarHBondContact CB-OG1 3.29Å; D151-T154 VanDerWaalsContact OD2-CB 3.3Å; D151-T154 WeakPolarHBondContact OD2-CB 3.23Å; D151-T154 VanDerWaalsContact OD2-CG2 3.29Å; D151-T154 WeakPolarHBondContact OD2-CG2 3.28Å; D151-T154 PolarHBondContact OD2-N 2.78Å; D151-T154 PolarHBondContact OD2-OG1 3.44Å; D151-K155 VanDerWaalsContact O-CA 3.31Å; D151-K155 WeakPolarHBondContact O-CA 3.32Å; D151-K155 PolarHBondContact O-N 2.82Å; D151-K156 PolarHBondContact N-O 2.63Å; D151-M158 HydrophobicContact CB-CG 3.54Å; D151-M158 HydrophobicContact CB-SD 4.13Å; D151-Y171 WeakPolarHBondContact OD1-CA 3.5Å; D151-E172 HydrophobicContact CB-CB 3.8Å; D151-E172 VanDerWaalsContact CG-CB 3.49Å; D151-E172 PolarHBondContact OD1-N 3.39Å
152P90.7Very high78.1Confident64 Ų6483.1 Ų83.142%0.41647%0.472SS..THydrogen-bonded Turntrans-65-21.3-177.924.7-35.3000113.8K155 Y171P152-K155 VanDerWaalsContact O-CE 3.31Å; P152-K155 WeakPolarHBondContact O-CE 3.28Å; P152-K155 PolarHBondContact O-NZ 3.18Å; P152-Y171 HydrophobicContact CG-CD1 3.64Å; P152-Y171 HydrophobicContact CG-CE1 3.74Å
153I90.2Very high80.4Confident66 Ų6681.9 Ų81.934%0.33846%0.46SS..THydrogen-bonded Turntrans-86.5-56.9-178.8-60.2170.9000110.9D151 Y171 A175 I176 L179D151-I153 PolarHBondContact O-N 2.89Å; D151-I153 WeakPolarHBondContact OD2-CB 3.4Å; D151-I153 PolarHBondContact OD2-N 3.32Å; I153-Y171 HydrophobicContact CD1-CD1 3.65Å; I153-Y171 HydrophobicContact CD1-CE1 4.23Å; I153-Y171 HydrophobicContact CD1-CG 4.35Å; I153-Y171 HydrophobicContact CG1-CD1 4Å; I153-Y171 HydrophobicContact CG1-CE1 4.42Å; I153-A175 HydrophobicContact CB-CB 4.11Å; I153-A175 HydrophobicContact CD1-CB 4.36Å; I153-A175 HydrophobicContact CG2-CB 4.06Å; I153-I176 HydrophobicContact CD1-CD1 4.14Å; I153-L179 HydrophobicContact CD1-CD1 4.31Å
154T93.2Very high82.4Confident54 Ų5480.2 Ų80.233%0.33145%0.447SS..THydrogen-bonded Turntrans-83.7-17.7-174.760.60000113.7D151 K156 A175D151-T154 WeakPolarHBondContact CB-OG1 3.29Å; D151-T154 VanDerWaalsContact OD2-CB 3.3Å; D151-T154 WeakPolarHBondContact OD2-CB 3.23Å; D151-T154 VanDerWaalsContact OD2-CG2 3.29Å; D151-T154 WeakPolarHBondContact OD2-CG2 3.28Å; D151-T154 PolarHBondContact OD2-N 2.78Å; D151-T154 PolarHBondContact OD2-OG1 3.44Å; T154-K156 PolarHBondContact O-N 3.29Å; T154-K156 PolarHBondContact OG1-N 2.89Å; T154-A175 HydrophobicContact CG2-CB 3.46Å; T154-A175 VanDerWaalsContact CG2-CB 3.46Å
155K93.7Very high84.2Confident150 Ų15081.2 Ų81.265%0.65244%0.441SS*.  trans57.125.2-172.5-51-55.3-170.5-166.90113.4I150 D151 P152I150-K155 VanDerWaalsContact CG2-C 3.47Å; D151-K155 VanDerWaalsContact O-CA 3.31Å; D151-K155 WeakPolarHBondContact O-CA 3.32Å; D151-K155 PolarHBondContact O-N 2.82Å; P152-K155 VanDerWaalsContact O-CE 3.31Å; P152-K155 WeakPolarHBondContact O-CE 3.28Å; P152-K155 PolarHBondContact O-NZ 3.18Å
156K93.2Very high85.7Confident141 Ų14185.3 Ų85.361%0.61345%0.45SS*.SBendtrans-111.3158.3176.8-68.3178.3-177.1178.40111I150 D151 T154 M158I150-K156 WeakPolarHBondContact CA-O 2.82Å; D151-K156 PolarHBondContact N-O 2.63Å; T154-K156 PolarHBondContact O-N 3.29Å; T154-K156 PolarHBondContact OG1-N 2.89Å; K156-M158 PolarHBondContact O-N 3.36Å
157P91.6Very high87.3Confident64 Ų6484.6 Ų84.642%0.41644%0.444SS..BIsolated β-bridgetrans-47.6126.2164.2-31.439.2000111.8T148 I150T148-P157 HydrophobicContact CG2-CB 3.64Å; T148-P157 HydrophobicContact CG2-CG 3.71Å; I150-P157 HydrophobicContact CD1-CG 4.1Å
158M92.8Very high88.2Confident33 Ų3380.6 Ų80.616%0.16343%0.428CS..  trans-69130.5174.1-78.8-173-74.600110.9V149 D151 K156 P161 T170 Y171 E172V149-M158 HydrophobicContact CB-CE 3.56Å; V149-M158 HydrophobicContact CG1-CE 3.08Å; V149-M158 WeakPolarHBondContact O-CB 3.31Å; V149-M158 PolarHBondContact O-N 3.21Å; D151-M158 HydrophobicContact CB-CG 3.54Å; D151-M158 HydrophobicContact CB-SD 4.13Å; K156-M158 PolarHBondContact O-N 3.36Å; M158-P161 HydrophobicContact SD-CB 4.04Å; M158-T170 HydrophobicContact CE-CG2 4.27Å; M158-T170 HydrophobicContact SD-CG2 4.05Å; M158-Y171 VanDerWaalsContact SD-C 3.54Å; M158-E172 VanDerWaalsContact CA-OE2 3.25Å; M158-E172 WeakPolarHBondContact CA-OE2 3.39Å; M158-E172 HydrophobicContact CG-CB 4.27Å
159V92.4Very high88.9Confident131 Ų13183.1 Ų83.179%0.79444%0.436SS*.SBendtrans-102.1-37.9172.7-177.80000110.3E172V159-E172 PolarHBondContact N-OE2 3.41Å
160N91.9Very high89.3Confident65 Ų6581 Ų8135%0.34842%0.424SS..SBendtrans-132.270.1-173.7-166.24.5000111.7V162 E172 K173 E174N160-V162 PolarHBondContact O-N 2.91Å; N160-E172 WeakPolarHBondContact CA-OE1 3.47Å; N160-E172 VanDerWaalsContact CB-OE1 3.29Å; N160-E172 WeakPolarHBondContact CB-OE1 3.27Å; N160-E172 PolarHBondContact N-OE1 3.44Å; N160-E172 VanDerWaalsContact O-OE1 3.07Å; N160-K173 HydrophobicContact CB-CB 4.11Å; N160-K173 VanDerWaalsContact ND2-CD 3.31Å; N160-K173 WeakPolarHBondContact ND2-CD 3.27Å; N160-K173 WeakPolarHBondContact O-CB 3.41Å; N160-K173 PolarHBondContact O-N 2.82Å; N160-E174 PolarHBondContact ND2-OE1 3.29Å
161P92.2Very high89.5Confident44 Ų4479.7 Ų79.729%0.28642%0.415SS..EExtended strand (participates in β ladder)trans-67.6128.5-173.926.9-34.2000112.7M158 T170 Y171M158-P161 HydrophobicContact SD-CB 4.04Å; P161-T170 HydrophobicContact CB-CG2 3.5Å; P161-T170 VanDerWaalsContact CB-CG2 3.5Å; P161-Y171 CarbonylContact C-O 3.54Å; P161-Y171 WeakPolarHBondContact CA-O 3.12Å
162V91.3Very high89.6Confident46 Ų4680.4 Ų80.428%0.27942%0.418SS..EExtended strand (participates in β ladder)trans-119.1138.6172.8-67.40000111N160 T170 Y171 K173 I176N160-V162 PolarHBondContact O-N 2.91Å; V162-T170 CarbonylContact O-C 3.56Å; V162-T170 VanDerWaalsContact O-CA 3.28Å; V162-T170 WeakPolarHBondContact O-CA 3.49Å; V162-Y171 WeakPolarHBondContact CG2-O 3.24Å; V162-Y171 PolarHBondContact N-O 3.46Å; V162-Y171 PolarHBondContact O-N 2.88Å; V162-K173 HydrophobicContact CG1-CB 3.8Å; V162-K173 HydrophobicContact CG1-CD 4.33Å; V162-K173 HydrophobicContact CG1-CG 3.93Å; V162-K173 HydrophobicContact CG2-CB 4.26Å; V162-I176 HydrophobicContact CG2-CG2 3.64Å
163R90.3Very high89.8Confident153 Ų15381.1 Ų81.158%0.57741%0.414SS*.EExtended strand (participates in β ladder)trans-103127.8-177.5-169.3179.7-177.7-162.5-3.9111.4I165 G168 H169R163-I165 PolarHBondContact O-N 3.23Å; R163-G168 PolarHBondContact NE-O 3.39Å; R163-H169 CarbonylContact C-O 3.56Å; R163-H169 WeakPolarHBondContact CA-O 3.37Å
164N84.7Confident90Very high60 Ų6082.6 Ų82.632%0.32142%0.42SS..  trans-70.3123.3170.8-177.7-51.9000110H166 C167 G168 H169 Y171N164-H166 VanDerWaalsContact C-N 3.28Å; N164-H166 PolarHBondContact O-N 3.37Å; N164-H166 WeakPolarHBondContact OD1-CA 3.32Å; N164-H166 WeakPolarHBondContact OD1-CB 3.49Å; N164-H166 PolarHBondContact OD1-N 3.11Å; N164-C167 VanDerWaalsContact CB-SG 3.55Å; N164-C167 PolarHBondContact OD1-N 3.49Å; N164-G168 WeakPolarHBondContact O-CA 3.32Å; N164-G168 PolarHBondContact O-N 3.45Å; N164-H169 PolarHBondContact N-O 3.45Å; N164-Y171 HydrophobicContact CB-CE2 3.98Å
165I81.6Confident90Very high152 Ų15280.5 Ų80.578%0.77941%0.408SS*.THydrogen-bonded Turntrans-68.5-22.8-175.862.8171.5000114R163R163-I165 PolarHBondContact O-N 3.23Å
166H78.9Confident89.9Confident169 Ų16975 Ų7578%0.78239%0.386SS*.THydrogen-bonded Turntrans-89.9-43.8-175.3-62.4-68000112.6N164N164-H166 VanDerWaalsContact C-N 3.28Å; N164-H166 PolarHBondContact O-N 3.37Å; N164-H166 WeakPolarHBondContact OD1-CA 3.32Å; N164-H166 WeakPolarHBondContact OD1-CB 3.49Å; N164-H166 PolarHBondContact OD1-N 3.11Å
167C86.3Confident89.8Confident63 Ų6372.9 Ų72.943%0.42638%0.378SS..THydrogen-bonded Turntrans-103.4-14.2-179.164.70000113.7N164 H169N164-C167 VanDerWaalsContact CB-SG 3.55Å; N164-C167 PolarHBondContact OD1-N 3.49Å; C167-H169 PolarHBondContact O-N 3.03Å; C167-H169 PolarHBondContact SG-ND1 3.24Å; C167-H169 VanDerWaalsContact SG-ND1 3.42Å
168G81.2Confident89.5Confident24 Ų2472.6 Ų72.625%0.24738%0.378CS..  trans76.91.3179.500000115.3R163 N164R163-G168 PolarHBondContact NE-O 3.39Å; N164-G168 WeakPolarHBondContact O-CA 3.32Å; N164-G168 PolarHBondContact O-N 3.45Å
169H86.3Confident88.9Confident108 Ų10874.9 Ų74.950%0.539%0.39SS..  trans-69.4150.7174.5-61.1152.5000111.9R163 N164 C167 Y171R163-H169 CarbonylContact C-O 3.56Å; R163-H169 WeakPolarHBondContact CA-O 3.37Å; N164-H169 PolarHBondContact N-O 3.45Å; C167-H169 PolarHBondContact O-N 3.03Å; C167-H169 PolarHBondContact SG-ND1 3.24Å; C167-H169 VanDerWaalsContact SG-ND1 3.42Å; H169-Y171 HydrophobicContact CB-CE2 3.61Å; H169-Y171 WeakPolarHBondContact CB-OH 3.4Å; H169-Y171 PolarHBondContact ND1-OH 3.17Å
170T90.9Very high88.4Confident45 Ų4572.8 Ų72.828%0.27637%0.374SS..EExtended strand (participates in β ladder)trans-110.9137177.3-540000109.9M158 P161 V162M158-T170 HydrophobicContact CE-CG2 4.27Å; M158-T170 HydrophobicContact SD-CG2 4.05Å; P161-T170 HydrophobicContact CB-CG2 3.5Å; P161-T170 VanDerWaalsContact CB-CG2 3.5Å; V162-T170 CarbonylContact O-C 3.56Å; V162-T170 VanDerWaalsContact O-CA 3.28Å; V162-T170 WeakPolarHBondContact O-CA 3.49Å
171Y93.5Very high87.5Confident42 Ų4273 Ų7317%0.16538%0.381CS..EExtended strand (participates in β ladder)trans-132.1160.4-177.2-56.6-81.9000110.1D151 P152 I153 M158 P161 V162 N164 H169D151-Y171 WeakPolarHBondContact OD1-CA 3.5Å; P152-Y171 HydrophobicContact CG-CD1 3.64Å; P152-Y171 HydrophobicContact CG-CE1 3.74Å; I153-Y171 HydrophobicContact CD1-CD1 3.65Å; I153-Y171 HydrophobicContact CD1-CE1 4.23Å; I153-Y171 HydrophobicContact CD1-CG 4.35Å; I153-Y171 HydrophobicContact CG1-CD1 4Å; I153-Y171 HydrophobicContact CG1-CE1 4.42Å; M158-Y171 VanDerWaalsContact SD-C 3.54Å; P161-Y171 CarbonylContact C-O 3.54Å; P161-Y171 WeakPolarHBondContact CA-O 3.12Å; V162-Y171 WeakPolarHBondContact CG2-O 3.24Å; V162-Y171 PolarHBondContact N-O 3.46Å; V162-Y171 PolarHBondContact O-N 2.88Å; N164-Y171 HydrophobicContact CB-CE2 3.98Å; H169-Y171 HydrophobicContact CB-CE2 3.61Å; H169-Y171 WeakPolarHBondContact CB-OH 3.4Å; H169-Y171 PolarHBondContact ND1-OH 3.17Å
172E95.9Very high85.7Confident15 Ų1578.3 Ų78.37%0.0740%0.403CS..EExtended strand (participates in β ladder)trans-67.9132.3163.9-177.366.3-81.600109.8D151 M158 V159 N160 E174 A175 I176D151-E172 HydrophobicContact CB-CB 3.8Å; D151-E172 VanDerWaalsContact CG-CB 3.49Å; D151-E172 PolarHBondContact OD1-N 3.39Å; M158-E172 VanDerWaalsContact CA-OE2 3.25Å; M158-E172 WeakPolarHBondContact CA-OE2 3.39Å; M158-E172 HydrophobicContact CG-CB 4.27Å; V159-E172 PolarHBondContact N-OE2 3.41Å; N160-E172 WeakPolarHBondContact CA-OE1 3.47Å; N160-E172 VanDerWaalsContact CB-OE1 3.29Å; N160-E172 WeakPolarHBondContact CB-OE1 3.27Å; N160-E172 PolarHBondContact N-OE1 3.44Å; N160-E172 VanDerWaalsContact O-OE1 3.07Å; E172-E174 WeakPolarHBondContact CG-OE2 3.36Å; E172-E174 PolarHBondContact O-N 2.87Å; E172-A175 HydrophobicContact CB-CB 3.9Å; E172-A175 HydrophobicContact CG-CB 4.41Å; E172-A175 WeakPolarHBondContact O-CB 3.34Å; E172-A175 PolarHBondContact O-N 3.49Å; E172-I176 PolarHBondContact O-N 2.94Å; E172-I176 VanDerWaalsContact O-N 3.09Å
173K94.9Very high83.4Confident78 Ų7881.4 Ų81.434%0.33942%0.423SS..Hα-helixtrans-56.4-50.4-174.9-175.8-179.8172.8-176.70111.9N160 V162 A175 I176 E177N160-K173 HydrophobicContact CB-CB 4.11Å; N160-K173 VanDerWaalsContact ND2-CD 3.31Å; N160-K173 WeakPolarHBondContact ND2-CD 3.27Å; N160-K173 WeakPolarHBondContact O-CB 3.41Å; N160-K173 PolarHBondContact O-N 2.82Å; V162-K173 HydrophobicContact CG1-CB 3.8Å; V162-K173 HydrophobicContact CG1-CD 4.33Å; V162-K173 HydrophobicContact CG1-CG 3.93Å; V162-K173 HydrophobicContact CG2-CB 4.26Å; K173-A175 PolarHBondContact O-N 3.35Å; K173-I176 VanDerWaalsContact O-CG2 3.23Å; K173-I176 WeakPolarHBondContact O-CG2 3.12Å; K173-I176 PolarHBondContact O-N 3.12Å; K173-E177 WeakPolarHBondContact CE-OE1 3.13Å; K173-E177 HydrophobicContact CG-CG 4.38Å; K173-E177 IonicContact NZ-OE1 3.88Å; K173-E177 WeakPolarHBondContact O-CB 3.43Å; K173-E177 WeakPolarHBondContact O-CG 3.38Å; K173-E177 PolarHBondContact O-N 3.31Å
174E94.4Very high81Confident97 Ų9778.4 Ų78.445%0.45342%0.417SS..Hα-helixtrans-67.1-29.9-175.8-6173-156.600111.2N160 E172 S178N160-E174 PolarHBondContact ND2-OE1 3.29Å; E172-E174 WeakPolarHBondContact CG-OE2 3.36Å; E172-E174 PolarHBondContact O-N 2.87Å; E174-S178 VanDerWaalsContact O-CB 3.27Å; E174-S178 WeakPolarHBondContact O-CB 2.92Å; E174-S178 PolarHBondContact O-N 3.19Å
175A92.1Very high78.5Confident10 Ų1083.3 Ų83.38%0.08344%0.442CS..Hα-helixtrans-69.7-45.6177.400000112I153 T154 E172 K173 S178 L179I153-A175 HydrophobicContact CB-CB 4.11Å; I153-A175 HydrophobicContact CD1-CB 4.36Å; I153-A175 HydrophobicContact CG2-CB 4.06Å; T154-A175 HydrophobicContact CG2-CB 3.46Å; T154-A175 VanDerWaalsContact CG2-CB 3.46Å; E172-A175 HydrophobicContact CB-CB 3.9Å; E172-A175 HydrophobicContact CG-CB 4.41Å; E172-A175 WeakPolarHBondContact O-CB 3.34Å; E172-A175 PolarHBondContact O-N 3.49Å; K173-A175 PolarHBondContact O-N 3.35Å; A175-S178 PolarHBondContact O-N 2.95Å; A175-L179 WeakPolarHBondContact O-CB 3.5Å; A175-L179 PolarHBondContact O-N 3.19Å
176I91Very high76.3Confident35 Ų3583 Ų8318%0.17944%0.441CS..Hα-helixtrans-72-36.9178.3-164.564.7000111.2I153 V162 E172 K173 S178 L179 L180I153-I176 HydrophobicContact CD1-CD1 4.14Å; V162-I176 HydrophobicContact CG2-CG2 3.64Å; E172-I176 PolarHBondContact O-N 2.94Å; E172-I176 VanDerWaalsContact O-N 3.09Å; K173-I176 VanDerWaalsContact O-CG2 3.23Å; K173-I176 WeakPolarHBondContact O-CG2 3.12Å; K173-I176 PolarHBondContact O-N 3.12Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3.09Å; I176-L179 HydrophobicContact CD1-CD2 4.35Å; I176-L179 PolarHBondContact O-N 2.88Å; I176-L180 HydrophobicContact CG1-CD1 4.13Å; I176-L180 HydrophobicContact CG1-CG 4.31Å; I176-L180 WeakPolarHBondContact O-CB 3.37Å; I176-L180 VanDerWaalsContact O-CG 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 2.76Å
177E91Very high74.2Confident96 Ų9680.8 Ų80.845%0.44944%0.439SS..Hα-helixtrans-62.2-40.9172.4-75178.7166.600111.4K173 L179 L180 S181K173-E177 WeakPolarHBondContact CE-OE1 3.13Å; K173-E177 HydrophobicContact CG-CG 4.38Å; K173-E177 IonicContact NZ-OE1 3.88Å; K173-E177 WeakPolarHBondContact O-CB 3.43Å; K173-E177 WeakPolarHBondContact O-CG 3.38Å; K173-E177 PolarHBondContact O-N 3.31Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.34Å; E177-L180 PolarHBondContact O-N 3.24Å; E177-S181 VanDerWaalsContact O-CB 3.26Å; E177-S181 WeakPolarHBondContact O-CB 3.11Å; E177-S181 PolarHBondContact O-N 2.97Å; E177-S181 PolarHBondContact O-OG 2.93Å
178S86.3Confident71.8Confident59 Ų5981 Ų8141%0.41344%0.441SS..Hα-helixtrans-64.2-38.1173.5-173.90000112.5E174 A175 I176 S181 M182E174-S178 VanDerWaalsContact O-CB 3.27Å; E174-S178 WeakPolarHBondContact O-CB 2.92Å; E174-S178 PolarHBondContact O-N 3.19Å; A175-S178 PolarHBondContact O-N 2.95Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3.09Å; S178-S181 VanDerWaalsContact CA-OG 3.26Å; S178-S181 WeakPolarHBondContact CA-OG 3.46Å; S178-S181 PolarHBondContact O-OG 3.27Å; S178-M182 WeakPolarHBondContact O-CB 3.4Å; S178-M182 WeakPolarHBondContact O-CG 3.37Å; S178-M182 PolarHBondContact O-N 3.46Å
179L81Confident69.4Low81 Ų8187.3 Ų87.342%0.42447%0.469SS..Hα-helixtrans-73-38.7179.8-169.8140.2000111.7I153 A175 I176 E177 T183I153-L179 HydrophobicContact CD1-CD1 4.31Å; A175-L179 WeakPolarHBondContact O-CB 3.5Å; A175-L179 PolarHBondContact O-N 3.19Å; I176-L179 HydrophobicContact CD1-CD2 4.35Å; I176-L179 PolarHBondContact O-N 2.88Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.34Å; L179-T183 PolarHBondContact O-N 3.33Å; L179-T183 VanDerWaalsContact O-N 3.16Å; L179-T183 PolarHBondContact O-OG1 3Å
180L80.8Confident66.8Low86 Ų8690.8 Ų90.845%0.4549%0.486SS..Hα-helixtrans-68.4-45.7174.3-70.1173.8000110.8I176 E177 M182 T183 I184I176-L180 HydrophobicContact CG1-CD1 4.13Å; I176-L180 HydrophobicContact CG1-CG 4.31Å; I176-L180 WeakPolarHBondContact O-CB 3.37Å; I176-L180 VanDerWaalsContact O-CG 3.23Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 2.76Å; E177-L180 PolarHBondContact O-N 3.24Å; L180-M182 VanDerWaalsContact C-N 3.28Å; L180-M182 PolarHBondContact O-N 2.87Å; L180-T183 CarbonylContact O-C 3.55Å; L180-T183 PolarHBondContact O-N 3.45Å; L180-I184 HydrophobicContact CB-CD1 4.18Å; L180-I184 VanDerWaalsContact O-CB 3.24Å; L180-I184 WeakPolarHBondContact O-CB 3.36Å; L180-I184 WeakPolarHBondContact O-CD1 3.22Å; L180-I184 WeakPolarHBondContact O-CG1 3.24Å; L180-I184 PolarHBondContact O-N 2.66Å
181S73.4Confident64Low71 Ų7191.5 Ų91.550%0.49750%0.496SS..Hα-helixtrans-63.6-30.3175.655.70000113.2E177 S178 T183 I184E177-S181 VanDerWaalsContact O-CB 3.26Å; E177-S181 WeakPolarHBondContact O-CB 3.11Å; E177-S181 PolarHBondContact O-N 2.97Å; E177-S181 PolarHBondContact O-OG 2.93Å; S178-S181 VanDerWaalsContact CA-OG 3.26Å; S178-S181 WeakPolarHBondContact CA-OG 3.46Å; S178-S181 PolarHBondContact O-OG 3.27Å; S181-T183 VanDerWaalsContact C-N 3.35Å; S181-I184 CarbonylContact O-C 3.53Å
182M54.9Low61Low155 Ų15597.6 Ų97.676%0.76453%0.531SS*.Hα-helixtrans-70.2-29.6170.4-82.8-174.917000113.4S178 L180S178-M182 WeakPolarHBondContact O-CB 3.4Å; S178-M182 WeakPolarHBondContact O-CG 3.37Å; S178-M182 PolarHBondContact O-N 3.46Å; L180-M182 VanDerWaalsContact C-N 3.28Å; L180-M182 PolarHBondContact O-N 2.87Å
183T43.1Very low58.1Low111 Ų111105.3 Ų105.368%0.68156%0.561SS**Hα-helixtrans-88.6-17.5178.9-46.20000111.7L179 L180 S181L179-T183 PolarHBondContact O-N 3.33Å; L179-T183 VanDerWaalsContact O-N 3.16Å; L179-T183 PolarHBondContact O-OG1 3Å; L180-T183 CarbonylContact O-C 3.55Å; L180-T183 PolarHBondContact O-N 3.45Å; S181-T183 VanDerWaalsContact C-N 3.35Å
184I38.2Very low55.2Low89 Ų89107.4 Ų107.446%0.45658%0.576SS.*  trans-110.169.4-177.6-58.4168.4000108.3L180 S181 I186L180-I184 HydrophobicContact CB-CD1 4.18Å; L180-I184 VanDerWaalsContact O-CB 3.24Å; L180-I184 WeakPolarHBondContact O-CB 3.36Å; L180-I184 WeakPolarHBondContact O-CD1 3.22Å; L180-I184 WeakPolarHBondContact O-CG1 3.24Å; L180-I184 PolarHBondContact O-N 2.66Å; S181-I184 CarbonylContact O-C 3.53Å; I184-I186 WeakPolarHBondContact CG2-O 3.46Å; I184-I186 PolarHBondContact O-N 3.1Å
185L33.2Very low52.3Low164 Ų164106.9 Ų106.986%0.85959%0.588SS**  trans-84.273.5144.4-95.1159.7000106.1
186I34.3Very low49.7Very low144 Ų144113 Ų11374%0.73861%0.613SS**SBendtrans179.8109.5157.4-86.9147.3000106.5I184I184-I186 WeakPolarHBondContact CG2-O 3.46Å; I184-I186 PolarHBondContact O-N 3.1Å
187V36Very low47.3Very low124 Ų124117.4 Ų117.475%0.75264%0.636SS**  trans84.698.3174.5-157.70000116.4
188S34.8Very low44.9Very low66 Ų66113.6 Ų113.646%0.46262%0.62SS.*  trans-54.3133.7163.4-73.60000112.3E190 E286S188-E190 PolarHBondContact O-N 3.2Å; S188-E286 VanDerWaalsContact CB-OE1 3.28Å; S188-E286 WeakPolarHBondContact CB-OE1 3.15Å; S188-E286 PolarHBondContact OG-OE1 3.44Å; S188-E286 PolarHBondContact OG-OE2 3.36Å
189D31.2Very low42.7Very low157 Ų157112.8 Ų112.884%0.8461%0.613SS**SBendtrans-9770.9173.8-157.48.7000109.1
190E31.2Very low40.9Very low182 Ų182116.8 Ų116.885%0.8563%0.629SS**  trans-142.157.9160.4-79.4-163.8171.900108.6S188S188-E190 PolarHBondContact O-N 3.2Å
191A32.4Very low39.3Very low59 Ų59118.8 Ų118.849%0.48864%0.64SS.*SBendtrans-154.7113.4163.300000108.4Y193A191-Y193 HydrophobicContact CB-CD2 3.7Å; A191-Y193 HydrophobicContact CB-CE2 4.4Å; A191-Y193 PolarHBondContact O-N 2.5Å
192D31.8Very low38.1Very low170 Ų170115.8 Ų115.891%0.90962%0.619SS**  trans-54.477.9167.8-165.213.1000109.9
193Y34.7Very low37.8Very low177 Ų177112.8 Ų112.869%0.69461%0.606SS**  trans-141.5116.3-174-86.2-85.6000112.8A191 A195A191-Y193 HydrophobicContact CB-CD2 3.7Å; A191-Y193 HydrophobicContact CB-CE2 4.4Å; A191-Y193 PolarHBondContact O-N 2.5Å; Y193-A195 PolarHBondContact O-N 3.43Å
194D34.4Very low38.1Very low123 Ų123116.6 Ų116.666%0.65861%0.613SS**  trans-48.664.7163.1-156.512.7000112K196D194-K196 PolarHBondContact O-N 3.26Å; D194-K196 IonicContact OD1-NZ 2.63Å; D194-K196 VanDerWaalsContact OD2-CE 3.25Å; D194-K196 WeakPolarHBondContact OD2-CE 3.24Å; D194-K196 IonicContact OD2-NZ 3.86Å; D194-K196 PolarHBondContact OD2-NZ 3.32Å
195A33.3Very low38.4Very low85 Ų85114 Ų11470%0.70260%0.602SS**  trans-69.572.5174.800000109.2Y193 L197Y193-A195 PolarHBondContact O-N 3.43Å; A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.16Å
196K35.7Very low39Very low140 Ų140107.2 Ų107.261%0.60957%0.566SS**  trans-58.6102.6164-71.4171-177.6141.20106.1D194 C198D194-K196 PolarHBondContact O-N 3.26Å; D194-K196 IonicContact OD1-NZ 2.63Å; D194-K196 VanDerWaalsContact OD2-CE 3.25Å; D194-K196 WeakPolarHBondContact OD2-CE 3.24Å; D194-K196 IonicContact OD2-NZ 3.86Å; D194-K196 PolarHBondContact OD2-NZ 3.32Å; K196-C198 PolarHBondContact O-N 3.49Å
197L42Very low39.5Very low127 Ų127106.8 Ų106.867%0.66556%0.559SS**  trans-35133.2161.6-76.7157000108A195 P199A195-L197 VanDerWaalsContact C-N 3.34Å; A195-L197 PolarHBondContact O-N 3.16Å; L197-P199 VanDerWaalsContact O-N 3.11Å
198C39.7Very low40Very low16 Ų16101.7 Ų101.711%0.10853%0.531CS..  trans-46.2127.4168.7-72.60000107.1K196 H200 L202K196-C198 PolarHBondContact O-N 3.49Å; C198-H200 PolarHBondContact O-N 3.13Å; C198-L202 HydrophobicContact CB-CD1 3.99Å
199P39.6Very low40.6Very low41 Ų41103.6 Ų103.627%0.26653%0.532SS..  trans-52.4137.6-173.618-28.6000108.5L197 D201 L202 L238 F239L197-P199 VanDerWaalsContact O-N 3.11Å; P199-D201 HydrophobicContact CB-CB 4.34Å; P199-D201 PolarHBondContact O-N 3.03Å; P199-L202 PolarHBondContact O-N 3.29Å; P199-L238 HydrophobicContact CG-CD1 4.49Å; P199-F239 VanDerWaalsContact CD-CZ 3.43Å; P199-F239 HydrophobicContact CG-CE2 4.41Å; P199-F239 HydrophobicContact CG-CZ 3.7Å
200H44.3Very low41.4Very low166 Ų166101.2 Ų101.277%0.76951%0.514SS*.THydrogen-bonded Turntrans-56.94.6177.2-72-67.2000114C198C198-H200 PolarHBondContact O-N 3.13Å
201D47.7Very low42.3Very low127 Ų12794 Ų9468%0.67948%0.482SS*.THydrogen-bonded Turntrans-89.4-4.7-175.8-51.3-27.3000112.6P199 D203 Q234P199-D201 HydrophobicContact CB-CB 4.34Å; P199-D201 PolarHBondContact O-N 3.03Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.21Å; D201-Q234 PolarHBondContact O-OE1 2.75Å
202L48.2Very low43Very low9 Ų996.4 Ų96.45%0.04750%0.495CS..SBendtrans-81.115.3-179.9-88.8157.8000115.4C198 P199 Y206 A231 Q234 F239C198-L202 HydrophobicContact CB-CD1 3.99Å; P199-L202 PolarHBondContact O-N 3.29Å; L202-Y206 WeakPolarHBondContact O-CD2 3.29Å; L202-A231 HydrophobicContact CD2-CB 4.34Å; L202-Q234 HydrophobicContact CD2-CB 3.6Å; L202-F239 HydrophobicContact CD1-CE2 4.39Å
203D47.9Very low44.2Very low92 Ų9295.8 Ų95.849%0.49249%0.487SS..  trans77.8139.1-165.8-17216.3000113.3D201 S205 Y206D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.21Å; D203-S205 PolarHBondContact O-N 2.87Å; D203-S205 PolarHBondContact OD2-OG 2.67Å; D203-Y206 HydrophobicContact CB-CD2 4.2Å; D203-Y206 PolarHBondContact O-N 2.86Å; D203-Y206 VanDerWaalsContact O-N 3.07Å
204K49.7Very low44.9Very low190 Ų19088 Ų8883%0.82646%0.461SS*.THydrogen-bonded Turntrans-61-11.5-176.6-65.5178.6-179.11750113.4
205S44.4Very low45.7Very low34 Ų3484.7 Ų84.724%0.23844%0.442CS..THydrogen-bonded Turntrans-80.9-12.7178.451.40000113.4D203D203-S205 PolarHBondContact O-N 2.87Å; D203-S205 PolarHBondContact OD2-OG 2.67Å
206Y45.2Very low46.4Very low22 Ų2280.7 Ų80.79%0.08641%0.409CS..EExtended strand (participates in β ladder)trans-107129.1-177.6-69.2-90.6000112.3L202 D203 T218 S227 Y228 A231L202-Y206 WeakPolarHBondContact O-CD2 3.29Å; D203-Y206 HydrophobicContact CB-CD2 4.2Å; D203-Y206 PolarHBondContact O-N 2.86Å; D203-Y206 VanDerWaalsContact O-N 3.07Å; Y206-T218 HydrophobicContact CD1-CG2 4.3Å; Y206-S227 WeakPolarHBondContact OH-CB 3.23Å; Y206-S227 PolarHBondContact OH-O 2.79Å; Y206-S227 PolarHBondContact OH-OG 3.19Å; Y206-Y228 WeakPolarHBondContact OH-CA 3.36Å; Y206-Y228 PolarHBondContact OH-N 2.92Å; Y206-A231 HydrophobicContact CD1-CB 4.19Å; Y206-A231 HydrophobicContact CD2-CB 4.33Å; Y206-A231 HydrophobicContact CE1-CB 3.69Å; Y206-A231 HydrophobicContact CE2-CB 3.88Å
207F45Very low46.9Very low135 Ų13575.1 Ų75.159%0.59239%0.386SS*.EExtended strand (participates in β ladder)trans-116.7129.2166.4-60.7-83.5000107.8T218 F219F207-T218 CarbonylContact O-C 3.53Å; F207-T218 VanDerWaalsContact O-CA 3.28Å; F207-T218 WeakPolarHBondContact O-CA 3.42Å; F207-F219 PolarHBondContact N-O 3.1Å; F207-F219 WeakPolarHBondContact O-CD2 3.28Å; F207-F219 PolarHBondContact O-N 3.01Å
208G47.5Very low47.1Very low17 Ų1769.1 Ų69.118%0.17536%0.355CS..EExtended strand (participates in β ladder)trans-158.3164.5-177.800000114.9V217G208-V217 CarbonylContact C-O 3.57Å; G208-V217 WeakPolarHBondContact CA-O 3.26Å
209F46.4Very low47.2Very low107 Ų10773 Ų7347%0.46937%0.37SS..EExtended strand (participates in β ladder)trans-127.6152176.559.7-89.2000110.5T211 V217 F219F209-T211 HydrophobicContact CE2-CG2 4.28Å; F209-V217 HydrophobicContact CD1-CB 4.21Å; F209-V217 HydrophobicContact CD1-CG1 4.48Å; F209-V217 HydrophobicContact CD2-CB 4.26Å; F209-V217 HydrophobicContact CD2-CG2 4.41Å; F209-V217 HydrophobicContact CE1-CB 3.8Å; F209-V217 HydrophobicContact CE1-CG1 3.71Å; F209-V217 HydrophobicContact CE2-CB 3.85Å; F209-V217 HydrophobicContact CE2-CG1 4.41Å; F209-V217 HydrophobicContact CE2-CG2 3.77Å; F209-V217 HydrophobicContact CG-CB 4.44Å; F209-V217 HydrophobicContact CZ-CB 3.61Å; F209-V217 HydrophobicContact CZ-CG1 3.67Å; F209-V217 HydrophobicContact CZ-CG2 3.85Å; F209-V217 PolarHBondContact N-O 3.03Å; F209-V217 PolarHBondContact O-N 3.1Å; F209-F219 HydrophobicContact CD1-CE2 4.31Å; F209-F219 AromaticContact CE1-CE2 3.98Å; F209-F219 HydrophobicContact CE1-CE2 3.98Å; F209-F219 HydrophobicContact CE1-CZ 4.25Å
210K47.5Very low47.3Very low106 Ų10672 Ų7246%0.46136%0.364SS..EExtended strand (participates in β ladder)trans-92.4127.6174.7-170.5-179.8177.7-178.10108.8M215K210-M215 CarbonylContact C-O 3.59Å; K210-M215 WeakPolarHBondContact CA-O 3.09Å
211T51.3Low47.3Very low32 Ų3270.2 Ų70.220%0.19635%0.354CS..  trans-75.7160.1170.164.30000110.4F209 E213 G214 M215 V217F209-T211 HydrophobicContact CE2-CG2 4.28Å; T211-E213 PolarHBondContact O-N 2.79Å; T211-E213 VanDerWaalsContact O-N 3.12Å; T211-G214 PolarHBondContact O-N 2.73Å; T211-M215 HydrophobicContact CG2-CB 4.24Å; T211-M215 HydrophobicContact CG2-CE 4.25Å; T211-M215 PolarHBondContact N-O 3.48Å; T211-M215 WeakPolarHBondContact OG1-CA 2.86Å; T211-M215 WeakPolarHBondContact OG1-CB 3.13Å; T211-M215 PolarHBondContact OG1-N 2.85Å; T211-M215 PolarHBondContact OG1-O 2.78Å; T211-M215 VanDerWaalsContact OG1-O 3.11Å; T211-V217 HydrophobicContact CG2-CG2 3.99Å
212S47Very low47.1Very low109 Ų10970.3 Ų70.376%0.76235%0.351SS*.THydrogen-bonded Turntrans-57.2-24174.748.80000113.5G214S212-G214 VanDerWaalsContact C-N 3.31Å
213E56.1Low46.8Very low157 Ų15778.2 Ų78.273%0.73439%0.387SS*.THydrogen-bonded Turntrans-87.73.8178.6-60.2-178.8175.600113.4T211 M215T211-E213 PolarHBondContact O-N 2.79Å; T211-E213 VanDerWaalsContact O-N 3.12Å; E213-M215 HydrophobicContact CB-CE 4.29Å; E213-M215 HydrophobicContact CB-CG 4.46Å; E213-M215 WeakPolarHBondContact OE2-CE 3.44Å
214G50.7Low46.8Very low14 Ų1476.4 Ų76.414%0.14439%0.39CS..SBendtrans85.93.7179.800000114.9T211 S212T211-G214 PolarHBondContact O-N 2.73Å; S212-G214 VanDerWaalsContact C-N 3.31Å
215M50.4Low46.7Very low53 Ų5376 Ų7626%0.26139%0.391SS..PPolyproline II helixtrans-76.8137.1175.9-46.9-175.9-81.600110.7K210 T211 E213 Y244K210-M215 CarbonylContact C-O 3.59Å; K210-M215 WeakPolarHBondContact CA-O 3.09Å; T211-M215 HydrophobicContact CG2-CB 4.24Å; T211-M215 HydrophobicContact CG2-CE 4.25Å; T211-M215 PolarHBondContact N-O 3.48Å; T211-M215 WeakPolarHBondContact OG1-CA 2.86Å; T211-M215 WeakPolarHBondContact OG1-CB 3.13Å; T211-M215 PolarHBondContact OG1-N 2.85Å; T211-M215 PolarHBondContact OG1-O 2.78Å; T211-M215 VanDerWaalsContact OG1-O 3.11Å; E213-M215 HydrophobicContact CB-CE 4.29Å; E213-M215 HydrophobicContact CB-CG 4.46Å; E213-M215 WeakPolarHBondContact OE2-CE 3.44Å; M215-Y244 HydrophobicContact CB-CE2 4.47Å; M215-Y244 HydrophobicContact SD-CE2 3.86Å
216C47.4Very low47Very low1 Ų177 Ų771%0.00741%0.408CS..EExtended strand (participates in β ladder)trans-95123.7169.9-68.50000109.8C235 F239 Y244C216-C235 VanDerWaalsContact CB-SG 3.52Å; C216-F239 WeakPolarHBondContact SG-CD2 3.36Å; C216-Y244 PolarHBondContact O-N 3.07Å
217V47.9Very low47.7Very low22 Ų2277.1 Ų77.113%0.13341%0.412CS..EExtended strand (participates in β ladder)trans-100.4123.3170.7-1790000107.2G208 F209 T211G208-V217 CarbonylContact C-O 3.57Å; G208-V217 WeakPolarHBondContact CA-O 3.26Å; F209-V217 HydrophobicContact CD1-CB 4.21Å; F209-V217 HydrophobicContact CD1-CG1 4.48Å; F209-V217 HydrophobicContact CD2-CB 4.26Å; F209-V217 HydrophobicContact CD2-CG2 4.41Å; F209-V217 HydrophobicContact CE1-CB 3.8Å; F209-V217 HydrophobicContact CE1-CG1 3.71Å; F209-V217 HydrophobicContact CE2-CB 3.85Å; F209-V217 HydrophobicContact CE2-CG1 4.41Å; F209-V217 HydrophobicContact CE2-CG2 3.77Å; F209-V217 HydrophobicContact CG-CB 4.44Å; F209-V217 HydrophobicContact CZ-CB 3.61Å; F209-V217 HydrophobicContact CZ-CG1 3.67Å; F209-V217 HydrophobicContact CZ-CG2 3.85Å; F209-V217 PolarHBondContact N-O 3.03Å; F209-V217 PolarHBondContact O-N 3.1Å; T211-V217 HydrophobicContact CG2-CG2 3.99Å
218T46.1Very low48.2Very low1 Ų174 Ų741%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-125.3142.6178.758.90000112.4Y206 F207 L243 Y244Y206-T218 HydrophobicContact CD1-CG2 4.3Å; F207-T218 CarbonylContact O-C 3.53Å; F207-T218 VanDerWaalsContact O-CA 3.28Å; F207-T218 WeakPolarHBondContact O-CA 3.42Å; T218-L243 HydrophobicContact CG2-CD1 3.42Å; T218-L243 VanDerWaalsContact CG2-CD1 3.42Å; T218-L243 WeakPolarHBondContact OG1-CD1 3.32Å; T218-L243 WeakPolarHBondContact OG1-CG 3.32Å; T218-Y244 PolarHBondContact N-O 3.48Å; T218-Y244 VanDerWaalsContact N-O 3.1Å
219F40.5Very low48.9Very low98 Ų9878 Ų7843%0.4341%0.414SS..EExtended strand (participates in β ladder)trans-98.7123.2167.7-55.5-84.9000108F207 F209 I246F207-F219 PolarHBondContact N-O 3.1Å; F207-F219 WeakPolarHBondContact O-CD2 3.28Å; F207-F219 PolarHBondContact O-N 3.01Å; F209-F219 HydrophobicContact CD1-CE2 4.31Å; F209-F219 AromaticContact CE1-CE2 3.98Å; F209-F219 HydrophobicContact CE1-CE2 3.98Å; F209-F219 HydrophobicContact CE1-CZ 4.25Å; F219-I246 HydrophobicContact CE1-CD1 3.93Å
220S42.3Very low49.7Very low20 Ų2077.7 Ų77.714%0.1442%0.417CS..EExtended strand (participates in β ladder)trans-112.1132.2175.2158.10000109.8N245S220-N245 WeakPolarHBondContact CB-OD1 3.3Å
221K44.4Very low50.3Low128 Ų12872.8 Ų72.856%0.55740%0.396SS*.  trans-87.7113.3162.9-169.7-179.1179.7-171.60106.7E223K221-E223 PolarHBondContact O-N 3.19Å
222Q42.7Very low51Low130 Ų13073.5 Ų73.561%0.60740%0.398SS*.  trans-58.5106.9-171.4-160.5-173.539.200111.9
223E41.7Very low52Low174 Ų17472.3 Ų72.381%0.81338%0.383SS*.  trans-129.493.7155.5-80.6-172.8-177.700107.6K221K221-E223 PolarHBondContact O-N 3.19Å
224G49.6Very low52.4Low54 Ų5467.5 Ų67.556%0.55736%0.361SS*.  trans81.6139.617000000116.6G226 S227G224-G226 PolarHBondContact O-N 3.09Å; G224-S227 PolarHBondContact O-N 3.37Å; G224-S227 PolarHBondContact O-OG 3.01Å
225Q47.7Very low52.9Low181 Ų18166.8 Ų66.885%0.84635%0.354SS*.THydrogen-bonded Turntrans-60.5-29-178.6-145166.3200113.2S227Q225-S227 VanDerWaalsContact C-N 3.28Å; Q225-S227 PolarHBondContact O-N 2.79Å
226G50Low53.7Low57 Ų5770 Ų7059%0.58837%0.368SS*.Hα-helixtrans-71.6-14-178.300000115.5G224G224-G226 PolarHBondContact O-N 3.09Å
227S59Low54.8Low24 Ų2477.4 Ų77.417%0.16840%0.4CS..Hα-helixtrans-77.5-36.2-17970.80000112.4Y206 G224 Q225 A231Y206-S227 WeakPolarHBondContact OH-CB 3.23Å; Y206-S227 PolarHBondContact OH-O 2.79Å; Y206-S227 PolarHBondContact OH-OG 3.19Å; G224-S227 PolarHBondContact O-N 3.37Å; G224-S227 PolarHBondContact O-OG 3.01Å; Q225-S227 VanDerWaalsContact C-N 3.28Å; Q225-S227 PolarHBondContact O-N 2.79Å; S227-A231 WeakPolarHBondContact O-CB 3.29Å; S227-A231 PolarHBondContact O-N 3.41Å; S227-A231 VanDerWaalsContact O-N 3.09Å
228Y55.6Low55.5Low68 Ų6880.9 Ų80.927%0.26742%0.417SS..Hα-helixtrans-70.5-45.2-176.7177.3-98.4000111.7Y206 L230 A231 N232 L243 N245Y206-Y228 WeakPolarHBondContact OH-CA 3.36Å; Y206-Y228 PolarHBondContact OH-N 2.92Å; Y228-L230 VanDerWaalsContact C-N 3.29Å; Y228-L230 PolarHBondContact O-N 2.74Å; Y228-A231 PolarHBondContact O-N 3.36Å; Y228-N232 HydrophobicContact CE1-CB 4.3Å; Y228-N232 VanDerWaalsContact O-CB 3.28Å; Y228-N232 WeakPolarHBondContact O-CB 3.19Å; Y228-N232 PolarHBondContact O-N 3.28Å; Y228-L243 HydrophobicContact CD2-CD2 3.75Å; Y228-L243 HydrophobicContact CE2-CB 4.4Å; Y228-L243 HydrophobicContact CE2-CD2 3.52Å; Y228-L243 HydrophobicContact CE2-CG 4.07Å; Y228-L243 PolarHBondContact OH-O 3.29Å; Y228-N245 HydrophobicContact CD2-CB 3.8Å; Y228-N245 HydrophobicContact CE2-CB 3.47Å; Y228-N245 VanDerWaalsContact CE2-CB 3.47Å
229D63.4Low56.2Low101 Ų10183 Ų8354%0.5443%0.427SS..Hα-helixtrans-60.3-42.4-179.7-66.9-21.1000111N232 D233D229-N232 PolarHBondContact O-N 3.32Å; D229-D233 WeakPolarHBondContact O-CB 3.36Å; D229-D233 PolarHBondContact O-N 3.39Å
230L63.4Low57.3Low102 Ų10286.8 Ų86.853%0.53445%0.445SS..Hα-helixtrans-64.5-44.1176.2-173.867.1000112Y228 D233 Q234Y228-L230 VanDerWaalsContact C-N 3.29Å; Y228-L230 PolarHBondContact O-N 2.74Å; L230-D233 PolarHBondContact O-N 3.3Å; L230-Q234 WeakPolarHBondContact O-CB 3.42Å; L230-Q234 WeakPolarHBondContact O-CG 3.33Å; L230-Q234 PolarHBondContact O-N 3.29Å
231A60.1Low58.1Low2 Ų286.1 Ų86.12%0.01744%0.442CS..Hα-helixtrans-66.5-38.9178.400000111.9L202 Y206 S227 Y228 Q234 C235 L243L202-A231 HydrophobicContact CD2-CB 4.34Å; Y206-A231 HydrophobicContact CD1-CB 4.19Å; Y206-A231 HydrophobicContact CD2-CB 4.33Å; Y206-A231 HydrophobicContact CE1-CB 3.69Å; Y206-A231 HydrophobicContact CE2-CB 3.88Å; S227-A231 WeakPolarHBondContact O-CB 3.29Å; S227-A231 PolarHBondContact O-N 3.41Å; S227-A231 VanDerWaalsContact O-N 3.09Å; Y228-A231 PolarHBondContact O-N 3.36Å; A231-Q234 PolarHBondContact O-N 2.92Å; A231-C235 VanDerWaalsContact O-CB 3.23Å; A231-C235 WeakPolarHBondContact O-CB 3.19Å; A231-C235 PolarHBondContact O-N 3.29Å; A231-L243 HydrophobicContact CB-CD2 3.74Å
232N64.7Low58.4Low48 Ų4883.3 Ų83.326%0.25744%0.438SS..Hα-helixtrans-66.7-44.2176.6-174.450.7000110.7Y228 D229 Q234 C235 H236 L243Y228-N232 HydrophobicContact CE1-CB 4.3Å; Y228-N232 VanDerWaalsContact O-CB 3.28Å; Y228-N232 WeakPolarHBondContact O-CB 3.19Å; Y228-N232 PolarHBondContact O-N 3.28Å; D229-N232 PolarHBondContact O-N 3.32Å; N232-Q234 VanDerWaalsContact C-N 3.35Å; N232-Q234 PolarHBondContact O-N 2.99Å; N232-C235 PolarHBondContact O-N 2.72Å; N232-H236 VanDerWaalsContact O-CB 3.3Å; N232-H236 WeakPolarHBondContact O-CB 3.42Å; N232-H236 PolarHBondContact O-N 3.4Å; N232-L243 HydrophobicContact CB-CB 4.13Å; N232-L243 HydrophobicContact CB-CD2 4.05Å; N232-L243 WeakPolarHBondContact OD1-CB 3.45Å
233D68Low58.6Low84 Ų8477.5 Ų77.545%0.44941%0.411SS..Hα-helixtrans-59.1-44.1173.3-95.712.8000112.1D229 L230 K237D229-D233 WeakPolarHBondContact O-CB 3.36Å; D229-D233 PolarHBondContact O-N 3.39Å; L230-D233 PolarHBondContact O-N 3.3Å; D233-K237 VanDerWaalsContact O-CB 3.29Å; D233-K237 WeakPolarHBondContact O-CB 3.36Å; D233-K237 WeakPolarHBondContact O-CD 3.44Å; D233-K237 WeakPolarHBondContact O-CG 3.17Å; D233-K237 PolarHBondContact O-N 3.46Å; D233-K237 IonicContact OD2-NZ 2.69Å
234Q65.1Low59Low55 Ų5575.1 Ų75.126%0.25740%0.395SS..Hα-helixtrans-67.7-42.6177.2-76.3-169.14.800111.9D201 L202 L230 A231 N232 H236 K237 L238D201-Q234 PolarHBondContact O-OE1 2.75Å; L202-Q234 HydrophobicContact CD2-CB 3.6Å; L230-Q234 WeakPolarHBondContact O-CB 3.42Å; L230-Q234 WeakPolarHBondContact O-CG 3.33Å; L230-Q234 PolarHBondContact O-N 3.29Å; A231-Q234 PolarHBondContact O-N 2.92Å; N232-Q234 VanDerWaalsContact C-N 3.35Å; N232-Q234 PolarHBondContact O-N 2.99Å; Q234-H236 VanDerWaalsContact C-N 3.34Å; Q234-H236 PolarHBondContact O-N 3.03Å; Q234-K237 PolarHBondContact O-N 2.96Å; Q234-L238 VanDerWaalsContact O-CB 3.26Å; Q234-L238 WeakPolarHBondContact O-CB 3.21Å; Q234-L238 VanDerWaalsContact O-CG 3.28Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.14Å
235C61.7Low58.8Low0 Ų072.8 Ų72.80%037%0.37CS..Hα-helixtrans-59.3-46.8175.5175.80000111.2C216 A231 N232 L238 F239 G241 L243C216-C235 VanDerWaalsContact CB-SG 3.52Å; A231-C235 VanDerWaalsContact O-CB 3.23Å; A231-C235 WeakPolarHBondContact O-CB 3.19Å; A231-C235 PolarHBondContact O-N 3.29Å; N232-C235 PolarHBondContact O-N 2.72Å; C235-L238 PolarHBondContact O-N 3.06Å; C235-F239 WeakPolarHBondContact O-CB 3.45Å; C235-F239 PolarHBondContact O-N 3.28Å; C235-G241 PolarHBondContact SG-O 2.95Å; C235-L243 HydrophobicContact CB-CB 4.29Å; C235-L243 HydrophobicContact CB-CD1 4.08Å
236H66.7Low58.3Low120 Ų12069 Ų6956%0.55635%0.354SS*.Hα-helixtrans-63.2-43.5177.4-169.6-74.7000111.5N232 Q234 H240N232-H236 VanDerWaalsContact O-CB 3.3Å; N232-H236 WeakPolarHBondContact O-CB 3.42Å; N232-H236 PolarHBondContact O-N 3.4Å; Q234-H236 VanDerWaalsContact C-N 3.34Å; Q234-H236 PolarHBondContact O-N 3.03Å; H236-H240 PolarHBondContact O-N 2.98Å
237K70.7Confident57.6Low156 Ų15671.1 Ų71.168%0.67835%0.348SS*.Hα-helixtrans-66.6-39.2178.5-77.6169-174.8163.20113.4D233 Q234D233-K237 VanDerWaalsContact O-CB 3.29Å; D233-K237 WeakPolarHBondContact O-CB 3.36Å; D233-K237 WeakPolarHBondContact O-CD 3.44Å; D233-K237 WeakPolarHBondContact O-CG 3.17Å; D233-K237 PolarHBondContact O-N 3.46Å; D233-K237 IonicContact OD2-NZ 2.69Å; Q234-K237 PolarHBondContact O-N 2.96Å
238L63Low56.3Low95 Ų9574.5 Ų74.550%0.49737%0.371SS..Hα-helixtrans-90-29.4-172.9-68.2171.1000113P199 Q234 C235P199-L238 HydrophobicContact CG-CD1 4.49Å; Q234-L238 VanDerWaalsContact O-CB 3.26Å; Q234-L238 WeakPolarHBondContact O-CB 3.21Å; Q234-L238 VanDerWaalsContact O-CG 3.28Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.14Å; C235-L238 PolarHBondContact O-N 3.06Å
239F59.7Low55.2Low47 Ų4776.1 Ų76.121%0.20639%0.385CS..Hα-helixtrans-130-2.9-165.4-52.2-62000115.5P199 L202 C216 C235 G241P199-F239 VanDerWaalsContact CD-CZ 3.43Å; P199-F239 HydrophobicContact CG-CE2 4.41Å; P199-F239 HydrophobicContact CG-CZ 3.7Å; L202-F239 HydrophobicContact CD1-CE2 4.39Å; C216-F239 WeakPolarHBondContact SG-CD2 3.36Å; C235-F239 WeakPolarHBondContact O-CB 3.45Å; C235-F239 PolarHBondContact O-N 3.28Å; F239-G241 PolarHBondContact O-N 3.29Å
240H63.4Low53.4Low177 Ų17776.8 Ų76.882%0.81940%0.398SS*.SBendtrans52.423.8-171.1-61.1-77.9000113.2H236H236-H240 PolarHBondContact O-N 2.98Å
241G59.8Low51.7Low6 Ų677 Ų776%0.06240%0.399CS..  trans-111.1159.9-175.200000112.4C235 F239C235-G241 PolarHBondContact SG-O 2.95Å; F239-G241 PolarHBondContact O-N 3.29Å
242S52Low50.2Low69 Ų6982.3 Ų82.348%0.48343%0.433SS..  trans-89137.5171.1-55.10000110.6Y244S242-Y244 PolarHBondContact O-N 2.94Å
243L45.9Very low48.5Very low7 Ų787.2 Ų87.24%0.03746%0.459CS..EExtended strand (participates in β ladder)trans-83.5110.9175.2-168.574.4000110.4T218 Y228 A231 N232 C235T218-L243 HydrophobicContact CG2-CD1 3.42Å; T218-L243 VanDerWaalsContact CG2-CD1 3.42Å; T218-L243 WeakPolarHBondContact OG1-CD1 3.32Å; T218-L243 WeakPolarHBondContact OG1-CG 3.32Å; Y228-L243 HydrophobicContact CD2-CD2 3.75Å; Y228-L243 HydrophobicContact CE2-CB 4.4Å; Y228-L243 HydrophobicContact CE2-CD2 3.52Å; Y228-L243 HydrophobicContact CE2-CG 4.07Å; Y228-L243 PolarHBondContact OH-O 3.29Å; A231-L243 HydrophobicContact CB-CD2 3.74Å; N232-L243 HydrophobicContact CB-CB 4.13Å; N232-L243 HydrophobicContact CB-CD2 4.05Å; N232-L243 WeakPolarHBondContact OD1-CB 3.45Å; C235-L243 HydrophobicContact CB-CB 4.29Å; C235-L243 HydrophobicContact CB-CD1 4.08Å
244Y50Low47Very low124 Ų12487.1 Ų87.149%0.48646%0.463SS..EExtended strand (participates in β ladder)trans-88.9120.3168.8-63.8-85.8000109.1M215 C216 T218 S242M215-Y244 HydrophobicContact CB-CE2 4.47Å; M215-Y244 HydrophobicContact SD-CE2 3.86Å; C216-Y244 PolarHBondContact O-N 3.07Å; T218-Y244 PolarHBondContact N-O 3.48Å; T218-Y244 VanDerWaalsContact N-O 3.1Å; S242-Y244 PolarHBondContact O-N 2.94Å
245N44.5Very low45.4Very low5 Ų591.9 Ų91.93%0.02749%0.489CS..EExtended strand (participates in β ladder)trans-108.9126.9174.2-171.48.4000109.4S220 Y228 F247S220-N245 WeakPolarHBondContact CB-OD1 3.3Å; Y228-N245 HydrophobicContact CD2-CB 3.8Å; Y228-N245 HydrophobicContact CE2-CB 3.47Å; Y228-N245 VanDerWaalsContact CE2-CB 3.47Å; N245-F247 HydrophobicContact CB-CE2 4.18Å; N245-F247 HydrophobicContact CB-CZ 4.2Å; N245-F247 WeakPolarHBondContact ND2-CE1 3.23Å; N245-F247 WeakPolarHBondContact ND2-CZ 3.33Å
246I37.7Very low44.1Very low101 Ų101101.4 Ų101.452%0.51853%0.526SS..  trans-100.4103.8174.7-59.3173.3000106.4F219F219-I246 HydrophobicContact CE1-CD1 3.93Å
247F36.3Very low42.6Very low102 Ų102105 Ų10545%0.44754%0.535SS..  trans-78.6135.1174.9-59.1-83.5000110.2N245N245-F247 HydrophobicContact CB-CE2 4.18Å; N245-F247 HydrophobicContact CB-CZ 4.2Å; N245-F247 WeakPolarHBondContact ND2-CE1 3.23Å; N245-F247 WeakPolarHBondContact ND2-CZ 3.33Å
248S30.9Very low40.9Very low95 Ų95104.8 Ų104.866%0.66455%0.546SS*.  trans-91.194154.373.30000107.5S250S248-S250 PolarHBondContact O-N 3.3Å
249D32Very low40.1Very low102 Ų102103.9 Ų103.955%0.54556%0.56SS.*  trans-75.6117167.5-108.4-12.2000108.4L251D249-L251 HydrophobicContact CB-CD1 4.43Å; D249-L251 HydrophobicContact CB-CG 4.22Å; D249-L251 PolarHBondContact O-N 3.16Å; D249-L251 VanDerWaalsContact O-N 3.12Å
250S26.3Very low39.2Very low116 Ų116108.2 Ų108.281%0.81158%0.581SS**  trans-70.396.4163.348.40000108.4S248S248-S250 PolarHBondContact O-N 3.3Å
251L27.6Very low38Very low107 Ų107105.8 Ų105.856%0.5658%0.581SS**  trans-99.7160.9172.9-74.1166.5000110D249 L269D249-L251 HydrophobicContact CB-CD1 4.43Å; D249-L251 HydrophobicContact CB-CG 4.22Å; D249-L251 PolarHBondContact O-N 3.16Å; D249-L251 VanDerWaalsContact O-N 3.12Å; L251-L269 HydrophobicContact CD1-CB 4.21Å
252P28.5Very low37Very low112 Ų112111.1 Ų111.173%0.72761%0.612SS**  -113170.8-81.712.211.3000110.7
253N29.4Very low36.1Very low151 Ų151111.7 Ų111.781%0.80762%0.616SS**  trans-42.2129.1172.1-99.1-26.1000112I255N253-I255 PolarHBondContact O-N 3.49Å
254P36.6Very low35.3Very low82 Ų82118 Ų11853%0.53265%0.65SS.*  trans-59.9116.3169.623.4-30.3000108.6Y256P254-Y256 VanDerWaalsContact C-N 3.29Å; P254-Y256 HydrophobicContact CB-CE2 4.29Å; P254-Y256 HydrophobicContact CG-CD2 4.44Å; P254-Y256 HydrophobicContact CG-CE2 3.73Å; P254-Y256 VanDerWaalsContact O-CD2 3.26Å; P254-Y256 WeakPolarHBondContact O-CD2 3.17Å; P254-Y256 PolarHBondContact O-N 3.04Å
255I31.3Very low34.1Very low156 Ų156118.3 Ų118.380%0.866%0.656SS**  trans-70.994.8167.2-59.9175.9000106.1N253 R257N253-I255 PolarHBondContact O-N 3.49Å; I255-R257 PolarHBondContact O-N 2.95Å; I255-R257 VanDerWaalsContact O-N 3.12Å
256Y34.4Very low33.3Very low199 Ų199128 Ų12878%0.7869%0.693SS**  trans-62.7109.6170.2-66.4-86000109.2P254P254-Y256 VanDerWaalsContact C-N 3.29Å; P254-Y256 HydrophobicContact CB-CE2 4.29Å; P254-Y256 HydrophobicContact CG-CD2 4.44Å; P254-Y256 HydrophobicContact CG-CE2 3.73Å; P254-Y256 VanDerWaalsContact O-CD2 3.26Å; P254-Y256 WeakPolarHBondContact O-CD2 3.17Å; P254-Y256 PolarHBondContact O-N 3.04Å
257R35.6Very low32.7Very low196 Ų196130.9 Ų130.974%0.7471%0.705SS**  trans-90.7109.3156.1-75.8-167.7-178.2-164.22.6108.3I255 G259I255-R257 PolarHBondContact O-N 2.95Å; I255-R257 VanDerWaalsContact O-N 3.12Å; R257-G259 PolarHBondContact O-N 3.37Å
258V34.8Very low32.2Very low151 Ų151132.1 Ų132.192%0.91572%0.715SS**THydrogen-bonded Turntrans-55.6125.1173-1800000109.1
259G46Very low32Very low77 Ų77132.4 Ų132.479%0.79471%0.709SS**THydrogen-bonded Turntrans99.97169.100000117.3R257R257-G259 PolarHBondContact O-N 3.37Å
260Q40.7Very low31.9Very low137 Ų137134.4 Ų134.464%0.6471%0.713SS**SBendtrans-114.6135.6168.7-72.9-174.5-42.700110.8V262Q260-V262 PolarHBondContact O-N 3.41Å
261P37.9Very low32Very low127 Ų127135.5 Ų135.583%0.82571%0.71SS**  trans-60.3125172.825-30.7000108.4S263P261-S263 PolarHBondContact O-N 2.9Å
262V38Very low32.3Very low117 Ų117137 Ų13771%0.70971%0.713SS**  trans-59.7108.1174.3-176.10000106.4Q260 D264Q260-V262 PolarHBondContact O-N 3.41Å; V262-D264 PolarHBondContact O-N 3.29Å
263S33.3Very low32.4Very low81 Ų81136.1 Ų136.157%0.56671%0.71SS**  trans-68.3127.716063.50000106.2P261 Q265P261-S263 PolarHBondContact O-N 2.9Å; S263-Q265 PolarHBondContact O-N 3.44Å
264D29.1Very low32.6Very low141 Ų141134.5 Ų134.575%0.75470%0.701SS**  trans-67.337.2-178.8-61.8-41.7000113.7V262V262-D264 PolarHBondContact O-N 3.29Å
265Q26.3Very low32.5Very low130 Ų130133.7 Ų133.761%0.60770%0.696SS**  trans-98.2102.3179.4-66.3-174.1-3.100108.9S263S263-Q265 PolarHBondContact O-N 3.44Å
266Y27.2Very low32.7Very low208 Ų208129.3 Ų129.382%0.81668%0.677SS**  trans-91.2120.5165.5-65.2-88.2000108.6
267E25.2Very low32.6Very low161 Ų161125.4 Ų125.475%0.75267%0.674SS**  trans-88.8125.5168.4-76.2-179.915800109.5
268L26.1Very low32.8Very low129 Ų129122.8 Ų122.868%0.67568%0.675SS**  trans-102.5110.1170.7-80.1164.6000108.9F270L268-F270 HydrophobicContact CB-CE2 3.88Å; L268-F270 HydrophobicContact CB-CZ 4.37Å
269L26.4Very low32.9Very low101 Ų101124.5 Ų124.553%0.52967%0.665SS.*  trans-83.6120.8177.3-139.482.8000109.6L251L251-L269 HydrophobicContact CD1-CB 4.21Å
270F29.2Very low32.4Very low144 Ų144124.9 Ų124.963%0.63265%0.648SS**  trans-107.8119.7172.4-65.5-88.2000109.7L268 Q349L268-F270 HydrophobicContact CB-CE2 3.88Å; L268-F270 HydrophobicContact CB-CZ 4.37Å; F270-Q349 VanDerWaalsContact N-NE2 3.12Å; F270-Q349 PolarHBondContact O-NE2 3.32Å
271N29.1Very low32Very low138 Ų138122.6 Ų122.674%0.73865%0.645SS**  trans-10474.1173.5-89.7-14.9000110.2
272H32.9Very low31.9Very low138 Ų138122.8 Ų122.864%0.63964%0.638SS**  trans-164.3138.1154.5-106.5-41.7000113.1L274H272-L274 PolarHBondContact O-N 3.07Å
273S31.4Very low31.6Very low95 Ų95124.5 Ų124.566%0.66463%0.633SS**PPolyproline II helixtrans-70.7121.9175.3-55.60000111.3
274L33.2Very low31.7Very low116 Ų116129.3 Ų129.361%0.60764%0.643SS**PPolyproline II helixtrans-67.3147.5163.6-71.4167.7000109.5H272 Y350H272-L274 PolarHBondContact O-N 3.07Å; L274-Y350 HydrophobicContact CD1-CE2 4.41Å
275P34.1Very low31.7Very low66 Ų66130.9 Ų130.943%0.42965%0.646SS.*PPolyproline II helixtrans-57.5150171.124.4-32000110.2R279 L280P275-R279 HydrophobicContact CB-CB 4.21Å; P275-L280 HydrophobicContact CG-CD2 4.13Å
276P34.8Very low32Very low63 Ų63128.7 Ų128.741%0.40964%0.635SS.*  trans-46142.4172.9-26.932.5000111.9D278 R279 L280P276-D278 WeakPolarHBondContact CB-OD1 3.21Å; P276-D278 PolarHBondContact O-N 3.39Å; P276-R279 HydrophobicContact CB-CG 4.34Å; P276-R279 HydrophobicContact CG-CG 4.49Å; P276-R279 WeakPolarHBondContact O-CA 2.98Å; P276-R279 WeakPolarHBondContact O-CB 3.44Å; P276-R279 PolarHBondContact O-N 3.13Å; P276-L280 PolarHBondContact O-N 2.82Å
277V33.4Very low32.1Very low117 Ų117123.6 Ų123.671%0.70962%0.622SS**G310 helixtrans-56.8-28.6-175.6175.60000112.6R279 L280V277-R279 VanDerWaalsContact C-N 3.25Å; V277-R279 PolarHBondContact O-N 2.86Å; V277-L280 HydrophobicContact CG1-CD1 4.45Å; V277-L280 PolarHBondContact O-N 3.32Å
278D39.3Very low32.6Very low142 Ų142119.7 Ų119.776%0.75961%0.609SS**G310 helixtrans-73.1-10.117454.1-46.5000114.5P276P276-D278 WeakPolarHBondContact CB-OD1 3.21Å; P276-D278 PolarHBondContact O-N 3.39Å
279R38.4Very low32.7Very low186 Ų186119.2 Ų119.270%0.70261%0.606SS**G310 helixtrans-103.6-0.8171.1-60.5-167.6-174.3180-2.8113.4P275 P276 V277P275-R279 HydrophobicContact CB-CB 4.21Å; P276-R279 HydrophobicContact CB-CG 4.34Å; P276-R279 HydrophobicContact CG-CG 4.49Å; P276-R279 WeakPolarHBondContact O-CA 2.98Å; P276-R279 WeakPolarHBondContact O-CB 3.44Å; P276-R279 PolarHBondContact O-N 3.13Å; V277-R279 VanDerWaalsContact C-N 3.25Å; V277-R279 PolarHBondContact O-N 2.86Å
280L34.3Very low33.2Very low85 Ų85119 Ų11945%0.44561%0.605SS.*SBendtrans-74.9125.6170.5-66171.8000108.1P275 P276 V277 I282P275-L280 HydrophobicContact CG-CD2 4.13Å; P276-L280 PolarHBondContact O-N 2.82Å; V277-L280 HydrophobicContact CG1-CD1 4.45Å; V277-L280 PolarHBondContact O-N 3.32Å; L280-I282 PolarHBondContact O-N 3.48Å
281P33.4Very low33.8Very low89 Ų89119.5 Ų119.558%0.57861%0.614SS**  trans-59.9110.2175.722.6-30.5000108.7Y283P281-Y283 VanDerWaalsContact C-N 3.31Å; P281-Y283 HydrophobicContact CB-CE2 4.19Å; P281-Y283 HydrophobicContact CG-CE2 3.9Å; P281-Y283 VanDerWaalsContact O-CD2 3.29Å; P281-Y283 WeakPolarHBondContact O-CD2 3.37Å; P281-Y283 PolarHBondContact O-N 2.83Å
282I34.7Very low34.1Very low131 Ų131114.7 Ų114.767%0.67260%0.597SS**  trans-74.192.9172.6-56.9176.3000106.1L280 K284L280-I282 PolarHBondContact O-N 3.48Å; I282-K284 PolarHBondContact O-N 2.81Å
283Y32.7Very low34.6Very low153 Ų153111 Ų11160%0.658%0.581SS**  trans-59.1108.2169.2-67.2-86.4000108.1P281 H285 E286P281-Y283 VanDerWaalsContact C-N 3.31Å; P281-Y283 HydrophobicContact CB-CE2 4.19Å; P281-Y283 HydrophobicContact CG-CE2 3.9Å; P281-Y283 VanDerWaalsContact O-CD2 3.29Å; P281-Y283 WeakPolarHBondContact O-CD2 3.37Å; P281-Y283 PolarHBondContact O-N 2.83Å; Y283-H285 PolarHBondContact O-N 2.84Å; Y283-E286 VanDerWaalsContact CD1-OE2 3.22Å; Y283-E286 WeakPolarHBondContact CD1-OE2 3.21Å
284K34Very low35.4Very low182 Ų182110.2 Ų110.279%0.79157%0.566SS**THydrogen-bonded Turntrans-62.1-14.9-175.6-97.9178.3174.9174.60113.1I282I282-K284 PolarHBondContact O-N 2.81Å
285H29.4Very low36.2Very low175 Ų175106.3 Ų106.381%0.8155%0.546SS*.THydrogen-bonded Turntrans-140.710.7-170.2-62.8-46.1000116.4Y283Y283-H285 PolarHBondContact O-N 2.84Å
286E33.9Very low37.4Very low83 Ų83104.9 Ų104.939%0.38854%0.536SS..  trans-117135.7-173.4-64.9-175.1142.800114S188 Y283 V288S188-E286 VanDerWaalsContact CB-OE1 3.28Å; S188-E286 WeakPolarHBondContact CB-OE1 3.15Å; S188-E286 PolarHBondContact OG-OE1 3.44Å; S188-E286 PolarHBondContact OG-OE2 3.36Å; Y283-E286 VanDerWaalsContact CD1-OE2 3.22Å; Y283-E286 WeakPolarHBondContact CD1-OE2 3.21Å; E286-V288 PolarHBondContact O-N 2.8Å
287L29.3Very low38.8Very low101 Ų101109.2 Ų109.253%0.52954%0.544SS..  trans-77.5103.3-167.8-71.1147.1000110.6I289 K294L287-I289 PolarHBondContact O-N 2.72Å; L287-K294 HydrophobicContact CD2-CD 3.56Å; L287-K294 HydrophobicContact CD2-CG 3.55Å
288V33.8Very low39.6Very low80 Ų80108 Ų10849%0.48553%0.532SS..  trans-75.5107.7165-177.40000108.1E286 L290 I295E286-V288 PolarHBondContact O-N 2.8Å; V288-L290 HydrophobicContact CG1-CD1 3.77Å; V288-L290 HydrophobicContact CG1-CG 3.83Å; V288-I295 HydrophobicContact CB-CD1 4.27Å; V288-I295 HydrophobicContact CG1-CD1 4.26Å; V288-I295 PolarHBondContact O-N 3.27Å; V288-I295 VanDerWaalsContact O-N 3.1Å
289I29.8Very low40.5Very low118 Ų118104.7 Ų104.761%0.60551%0.511SS*.EExtended strand (participates in β ladder)trans-88.6112.5165-59.1177.2000107L287 L293L287-I289 PolarHBondContact O-N 2.72Å; I289-L293 WeakPolarHBondContact CA-O 3.48Å
290L35.8Very low40.9Very low97 Ų97100.2 Ų100.251%0.50851%0.506SS..EExtended strand (participates in β ladder)trans-109.4117170.6-85.1155.1000107.6V288 G292 L293 I295V288-L290 HydrophobicContact CG1-CD1 3.77Å; V288-L290 HydrophobicContact CG1-CG 3.83Å; L290-G292 VanDerWaalsContact C-N 3.32Å; L290-G292 PolarHBondContact O-N 3.23Å; L290-L293 PolarHBondContact N-O 3.04Å; L290-L293 WeakPolarHBondContact O-CA 3.28Å; L290-L293 VanDerWaalsContact O-CB 3.28Å; L290-L293 WeakPolarHBondContact O-CB 3.5Å; L290-L293 PolarHBondContact O-N 3.26Å; L290-I295 HydrophobicContact CD1-CD1 3.76Å
291N42.3Very low41.6Very low154 Ų15499.9 Ų99.982%0.82451%0.508SS*.THydrogen-bonded Turntrans50.244.2174.3-63.4-10.6000114.5L293N291-L293 PolarHBondContact O-N 3.03Å
292G35.5Very low42Very low37 Ų37106.2 Ų106.238%0.38152%0.52SS..THydrogen-bonded Turntrans76.35.9-178.800000115L290 A316L290-G292 VanDerWaalsContact C-N 3.32Å; L290-G292 PolarHBondContact O-N 3.23Å; G292-A316 PolarHBondContact O-N 2.74Å
293L43Very low42.4Very low60 Ų60103 Ų10331%0.31451%0.51SS..EExtended strand (participates in β ladder)trans-102.3115.9172.6-60.2170.5000109.5I289 L290 N291 I295 V313 P315I289-L293 WeakPolarHBondContact CA-O 3.48Å; L290-L293 PolarHBondContact N-O 3.04Å; L290-L293 WeakPolarHBondContact O-CA 3.28Å; L290-L293 VanDerWaalsContact O-CB 3.28Å; L290-L293 WeakPolarHBondContact O-CB 3.5Å; L290-L293 PolarHBondContact O-N 3.26Å; N291-L293 PolarHBondContact O-N 3.03Å; L293-I295 PolarHBondContact O-N 3.3Å; L293-V313 HydrophobicContact CB-CB 4.29Å; L293-V313 HydrophobicContact CB-CG1 4.49Å; L293-V313 HydrophobicContact CD2-CG2 4.36Å; L293-P315 HydrophobicContact CD2-CB 4.28Å; L293-P315 HydrophobicContact CD2-CG 4.02Å
294K48.1Very low42.8Very low79 Ų79106.4 Ų106.434%0.34353%0.528SS..EExtended strand (participates in β ladder)trans-78.2114.1170.3162.8174.8168.2152.30109.1L287 T296 V313 Q314L287-K294 HydrophobicContact CD2-CD 3.56Å; L287-K294 HydrophobicContact CD2-CG 3.55Å; K294-T296 HydrophobicContact CD-CG2 4.38Å; K294-T296 HydrophobicContact CG-CG2 4Å; K294-T296 PolarHBondContact O-N 3.15Å; K294-V313 CarbonylContact O-C 3.5Å; K294-V313 VanDerWaalsContact O-CA 3.22Å; K294-V313 WeakPolarHBondContact O-CA 3.18Å; K294-Q314 HydrophobicContact CB-CB 4.26Å; K294-Q314 VanDerWaalsContact CB-O 3.29Å; K294-Q314 WeakPolarHBondContact CB-O 3.4Å; K294-Q314 HydrophobicContact CG-CB 4.42Å; K294-Q314 PolarHBondContact N-O 3.49Å; K294-Q314 PolarHBondContact O-N 3Å
295I50.4Low43.1Very low35 Ų35107.3 Ų107.318%0.17953%0.531CS..EExtended strand (participates in β ladder)trans-74.3108171.2-60173.7000108.1V288 L290 L293 L311 I312 V313V288-I295 HydrophobicContact CB-CD1 4.27Å; V288-I295 HydrophobicContact CG1-CD1 4.26Å; V288-I295 PolarHBondContact O-N 3.27Å; V288-I295 VanDerWaalsContact O-N 3.1Å; L290-I295 HydrophobicContact CD1-CD1 3.76Å; L293-I295 PolarHBondContact O-N 3.3Å; I295-L311 HydrophobicContact CD1-CD1 4.3Å; I295-L311 HydrophobicContact CD1-CD2 4.4Å; I295-L311 HydrophobicContact CG2-CD2 4.12Å; I295-I312 CarbonylContact C-O 3.58Å; I295-V313 HydrophobicContact CG1-CG1 4.11Å
296T59.6Low43.4Very low35 Ų35100.2 Ų100.222%0.21550%0.501CS..EExtended strand (participates in β ladder)trans-86.2-29.6-179.466.10000113.5K294 I312 Q314 K321K294-T296 HydrophobicContact CD-CG2 4.38Å; K294-T296 HydrophobicContact CG-CG2 4Å; K294-T296 PolarHBondContact O-N 3.15Å; T296-I312 WeakPolarHBondContact CA-O 3.47Å; T296-I312 PolarHBondContact N-O 3.02Å; T296-I312 WeakPolarHBondContact OG1-CB 3.28Å; T296-I312 WeakPolarHBondContact OG1-CG2 3.42Å; T296-I312 PolarHBondContact OG1-O 3.33Å; T296-Q314 HydrophobicContact CG2-CB 3.6Å; T296-K321 HydrophobicContact CG2-CD 4.43Å; T296-K321 HydrophobicContact CG2-CG 4.49Å
297R63.4Low43.6Very low155 Ų155100.8 Ų100.859%0.58551%0.505SS*.EExtended strand (participates in β ladder)trans-153.3153171.9-71.3-171.1175.7159.6-2.6109.8L311 I312R297-L311 CarbonylContact O-C 3.48Å; R297-I312 HydrophobicContact CB-CB 4.05Å; R297-I312 HydrophobicContact CB-CD1 3.91Å; R297-I312 HydrophobicContact CB-CG1 4Å; R297-I312 HydrophobicContact CG-CD1 4.44Å; R297-I312 PolarHBondContact N-O 2.81Å; R297-I312 PolarHBondContact O-N 2.97Å
298M49.3Very low44.3Very low91 Ų9197.2 Ų97.245%0.44849%0.489SS..EExtended strand (participates in β ladder)trans-126.7125.8165.9178.7171.971.600108.2P300 Q310 L311M298-P300 VanDerWaalsContact O-CD 3.24Å; M298-P300 WeakPolarHBondContact O-CD 3.36Å; M298-Q310 CarbonylContact C-O 3.5Å; M298-Q310 VanDerWaalsContact CA-O 3.31Å; M298-Q310 WeakPolarHBondContact CA-O 3.35Å; M298-L311 HydrophobicContact CB-CD2 3.83Å; M298-L311 HydrophobicContact CG-CD2 3.62Å; M298-L311 HydrophobicContact SD-CD2 3.8Å
299H59.5Low45Very low72 Ų7294.3 Ų94.333%0.33347%0.472SS..EExtended strand (participates in β ladder)trans-105.792.6170.3-56.5-77.6000109.2T301 S309 Q310H299-T301 PolarHBondContact O-N 3.34Å; H299-S309 WeakPolarHBondContact O-CA 3.42Å; H299-Q310 HydrophobicContact CB-CB 4.04Å; H299-Q310 PolarHBondContact CD2-OE1 3.07Å; H299-Q310 PolarHBondContact N-O 3.21Å; H299-Q310 PolarHBondContact O-N 2.83Å
300P46.3Very low46.2Very low92 Ų9290.9 Ų90.960%0.59745%0.453SS*.EExtended strand (participates in β ladder)trans-66.5132.8170.130.1-33.2000108.7M298 S308M298-P300 VanDerWaalsContact O-CD 3.24Å; M298-P300 WeakPolarHBondContact O-CD 3.36Å; P300-S308 CarbonylContact C-O 3.48Å
301T49.1Very low47Very low78 Ų7887.3 Ų87.348%0.47944%0.435SS..EExtended strand (participates in β ladder)trans-130.9114.2175.9-42.40000107.2H299 S308H299-T301 PolarHBondContact O-N 3.34Å; T301-S308 CarbonylContact C-O 3.6Å; T301-S308 WeakPolarHBondContact CA-O 3.24Å; T301-S308 WeakPolarHBondContact CB-OG 3.34Å; T301-S308 PolarHBondContact N-O 3.26Å; T301-S308 PolarHBondContact O-N 3.01Å; T301-S308 PolarHBondContact O-OG 3.2Å; T301-S308 VanDerWaalsContact O-OG 3.09Å
302R41.3Very low48Very low222 Ų22281.1 Ų81.184%0.83840%0.401SS*.EExtended strand (participates in β ladder)trans-103.8115.8177.1-164.4175.9-177.3178.72108.3
303S44.3Very low49Very low65 Ų6579.6 Ų79.646%0.45538%0.384SS..EExtended strand (participates in β ladder)trans-101.7155.8161.1108.50000107.8K305 T306S303-K305 PolarHBondContact O-N 3.33Å; S303-T306 WeakPolarHBondContact CB-OG1 3.49Å; S303-T306 PolarHBondContact N-O 3.2Å; S303-T306 PolarHBondContact O-N 3.18Å; S303-T306 VanDerWaalsContact O-O 3.09Å; S303-T306 PolarHBondContact OG-OG1 2.88Å
304K39.8Very low49.7Very low224 Ų22478.6 Ų78.697%0.97438%0.378SS*.THydrogen-bonded Turntrans-43.9-23.7-170.5-69.1-178.1177.9-179.90116.1
305K40.5Very low49.9Very low200 Ų20076 Ų7687%0.8737%0.369SS*.THydrogen-bonded Turntrans-126.1-0.1179.2-65.2-174.2176.3-175.50115.2S303S303-K305 PolarHBondContact O-N 3.33Å
306T35.7Very low49.7Very low27 Ų2778.2 Ų78.217%0.16639%0.393CS..EExtended strand (participates in β ladder)trans-140.7126.1-171.257.80000110.8S303 N328S303-T306 WeakPolarHBondContact CB-OG1 3.49Å; S303-T306 PolarHBondContact N-O 3.2Å; S303-T306 PolarHBondContact O-N 3.18Å; S303-T306 VanDerWaalsContact O-O 3.09Å; S303-T306 PolarHBondContact OG-OG1 2.88Å; T306-N328 WeakPolarHBondContact CB-O 3.29Å; T306-N328 WeakPolarHBondContact CG2-O 3.23Å
307I38.2Very low49.5Very low95 Ų9580.9 Ų80.949%0.48743%0.427SS..EExtended strand (participates in β ladder)trans-91.5114164-58.4173.1000106.1N328I307-N328 HydrophobicContact CB-CB 4.29Å; I307-N328 WeakPolarHBondContact O-CA 3.13Å; I307-N328 WeakPolarHBondContact O-CB 3.26Å; I307-N328 PolarHBondContact O-N 3Å
308S44.4Very low49.4Very low26 Ų2679.9 Ų79.918%0.18243%0.427CS..EExtended strand (participates in β ladder)trans-115.2136.1169.252.20000109.1P300 T301 I326P300-S308 CarbonylContact C-O 3.48Å; T301-S308 CarbonylContact C-O 3.6Å; T301-S308 WeakPolarHBondContact CA-O 3.24Å; T301-S308 WeakPolarHBondContact CB-OG 3.34Å; T301-S308 PolarHBondContact N-O 3.26Å; T301-S308 PolarHBondContact O-N 3.01Å; T301-S308 PolarHBondContact O-OG 3.2Å; T301-S308 VanDerWaalsContact O-OG 3.09Å; S308-I326 CarbonylContact C-O 3.47Å; S308-I326 WeakPolarHBondContact CA-O 3.27Å; S308-I326 VanDerWaalsContact CB-O 3.3Å; S308-I326 WeakPolarHBondContact CB-O 3.23Å
309S48.8Very low49.6Very low18 Ų1883.7 Ų83.713%0.12645%0.449CS..EExtended strand (participates in β ladder)trans-120.7128.4171.1-82.30000109H299 I326H299-S309 WeakPolarHBondContact O-CA 3.42Å; S309-I326 PolarHBondContact N-O 3.46Å; S309-I326 WeakPolarHBondContact O-CA 3.25Å; S309-I326 WeakPolarHBondContact O-CB 3.29Å; S309-I326 PolarHBondContact O-N 2.82Å
310Q55.9Low50.2Low46 Ų4687.8 Ų87.822%0.21547%0.466CS..EExtended strand (participates in β ladder)trans-88.7110.2166.8-174.9-173.338.600107.8M298 H299 I323 I324 Y325M298-Q310 CarbonylContact C-O 3.5Å; M298-Q310 VanDerWaalsContact CA-O 3.31Å; M298-Q310 WeakPolarHBondContact CA-O 3.35Å; H299-Q310 HydrophobicContact CB-CB 4.04Å; H299-Q310 PolarHBondContact CD2-OE1 3.07Å; H299-Q310 PolarHBondContact N-O 3.21Å; H299-Q310 PolarHBondContact O-N 2.83Å; Q310-I323 HydrophobicContact CG-CG2 3.43Å; Q310-I323 VanDerWaalsContact CG-CG2 3.43Å; Q310-I324 CarbonylContact C-O 3.33Å; Q310-I324 WeakPolarHBondContact CA-O 3.16Å; Q310-Y325 HydrophobicContact CB-CD1 4.28Å; Q310-Y325 HydrophobicContact CB-CE1 4.34Å; Q310-Y325 HydrophobicContact CG-CD1 4.09Å; Q310-Y325 HydrophobicContact CG-CE1 3.81Å; Q310-Y325 PolarHBondContact NE2-OH 3.49Å; Q310-Y325 VanDerWaalsContact NE2-OH 3.13Å
311L50.9Low51.4Low22 Ų2288.6 Ų88.612%0.11546%0.46CS..EExtended strand (participates in β ladder)trans-88.4128169.7-58.4178.9000108.8I295 R297 M298 V313 I323 I324 I326I295-L311 HydrophobicContact CD1-CD1 4.3Å; I295-L311 HydrophobicContact CD1-CD2 4.4Å; I295-L311 HydrophobicContact CG2-CD2 4.12Å; R297-L311 CarbonylContact O-C 3.48Å; M298-L311 HydrophobicContact CB-CD2 3.83Å; M298-L311 HydrophobicContact CG-CD2 3.62Å; M298-L311 HydrophobicContact SD-CD2 3.8Å; L311-V313 HydrophobicContact CB-CG1 4.17Å; L311-I323 CarbonylContact O-C 3.48Å; L311-I323 WeakPolarHBondContact O-CA 2.82Å; L311-I324 HydrophobicContact CB-CB 4.21Å; L311-I324 PolarHBondContact N-O 2.92Å; L311-I324 PolarHBondContact O-N 2.76Å; L311-I326 HydrophobicContact CD1-CD1 3.41Å; L311-I326 VanDerWaalsContact CD1-CD1 3.41Å; L311-I326 HydrophobicContact CD1-CG1 4.17Å; L311-I326 HydrophobicContact CD2-CD1 4.44Å; L311-I326 HydrophobicContact CG-CD1 3.75Å; L311-I326 HydrophobicContact CG-CG1 4.31Å
312I63.8Low52.3Low24 Ų2488.6 Ų88.612%0.12346%0.457CS..EExtended strand (participates in β ladder)trans-98.5105.6167.7-51.8-172.1000106.1I295 T296 R297 K321 D322I295-I312 CarbonylContact C-O 3.58Å; T296-I312 WeakPolarHBondContact CA-O 3.47Å; T296-I312 PolarHBondContact N-O 3.02Å; T296-I312 WeakPolarHBondContact OG1-CB 3.28Å; T296-I312 WeakPolarHBondContact OG1-CG2 3.42Å; T296-I312 PolarHBondContact OG1-O 3.33Å; R297-I312 HydrophobicContact CB-CB 4.05Å; R297-I312 HydrophobicContact CB-CD1 3.91Å; R297-I312 HydrophobicContact CB-CG1 4Å; R297-I312 HydrophobicContact CG-CD1 4.44Å; R297-I312 PolarHBondContact N-O 2.81Å; R297-I312 PolarHBondContact O-N 2.97Å; I312-K321 HydrophobicContact CG2-CB 3.8Å; I312-K321 HydrophobicContact CG2-CD 3.88Å; I312-K321 HydrophobicContact CG2-CG 4.29Å; I312-D322 CarbonylContact C-O 3.37Å; I312-D322 WeakPolarHBondContact CA-O 3.33Å
313V57.1Low53.1Low5 Ų582.2 Ų82.23%0.0344%0.438CS..EExtended strand (participates in β ladder)trans-101.1158.1-178.5-60.20000111.4L293 K294 I295 L311 K321 D322 I324L293-V313 HydrophobicContact CB-CB 4.29Å; L293-V313 HydrophobicContact CB-CG1 4.49Å; L293-V313 HydrophobicContact CD2-CG2 4.36Å; K294-V313 CarbonylContact O-C 3.5Å; K294-V313 VanDerWaalsContact O-CA 3.22Å; K294-V313 WeakPolarHBondContact O-CA 3.18Å; I295-V313 HydrophobicContact CG1-CG1 4.11Å; L311-V313 HydrophobicContact CB-CG1 4.17Å; V313-K321 CarbonylContact O-C 3.55Å; V313-K321 VanDerWaalsContact O-CA 3.24Å; V313-K321 WeakPolarHBondContact O-CA 3.36Å; V313-D322 HydrophobicContact CG2-CB 3.99Å; V313-D322 PolarHBondContact N-O 3.43Å; V313-D322 PolarHBondContact O-N 3.21Å; V313-I324 HydrophobicContact CB-CD1 4.36Å; V313-I324 HydrophobicContact CG1-CD1 3.74Å; V313-I324 HydrophobicContact CG1-CG1 4.36Å; V313-I324 HydrophobicContact CG2-CD1 3.71Å; V313-I324 HydrophobicContact CG2-CG1 3.95Å
314Q57.1Low53.6Low39 Ų3981.5 Ų81.518%0.18243%0.429CS..EExtended strand (participates in β ladder)trans-135.6113.1174.3-178.3178.25.300107K294 T296 A316 K318 K321K294-Q314 HydrophobicContact CB-CB 4.26Å; K294-Q314 VanDerWaalsContact CB-O 3.29Å; K294-Q314 WeakPolarHBondContact CB-O 3.4Å; K294-Q314 HydrophobicContact CG-CB 4.42Å; K294-Q314 PolarHBondContact N-O 3.49Å; K294-Q314 PolarHBondContact O-N 3Å; T296-Q314 HydrophobicContact CG2-CB 3.6Å; Q314-A316 PolarHBondContact O-N 3.49Å; Q314-K318 VanDerWaalsContact CG-O 3.24Å; Q314-K318 WeakPolarHBondContact CG-O 3.45Å; Q314-K318 PolarHBondContact NE2-O 3.16Å; Q314-K321 HydrophobicContact CB-CG 4.48Å
315P52.6Low53.9Low24 Ų2477.1 Ų77.116%0.15641%0.407CS..EExtended strand (participates in β ladder)trans-57.8139.2173.5-22.232.9000110.4L293 G317 K318L293-P315 HydrophobicContact CD2-CB 4.28Å; L293-P315 HydrophobicContact CD2-CG 4.02Å; P315-G317 PolarHBondContact O-N 3.01Å; P315-K318 HydrophobicContact CB-CB 4.24Å; P315-K318 HydrophobicContact CB-CD 4.17Å; P315-K318 HydrophobicContact CB-CG 4.24Å; P315-K318 HydrophobicContact CG-CB 4.48Å; P315-K318 HydrophobicContact CG-CD 4.22Å; P315-K318 PolarHBondContact O-N 2.99Å
316A46.8Very low54Low83 Ų8371 Ų7169%0.68638%0.383SS*.THydrogen-bonded Turntrans-53.5125.6174.200000109.6G292 Q314G292-A316 PolarHBondContact O-N 2.74Å; Q314-A316 PolarHBondContact O-N 3.49Å
317G55.4Low54Low90 Ų9075.9 Ų75.993%0.92840%0.402SS*.THydrogen-bonded Turntrans87-5.9-177.900000116.5P315P315-G317 PolarHBondContact O-N 3.01Å
318K60.6Low54Low135 Ų13574.3 Ų74.359%0.58739%0.394SS*.  trans-104138.4175.8-66.2-167.8179.41790111.9Q314 P315 K320Q314-K318 VanDerWaalsContact CG-O 3.24Å; Q314-K318 WeakPolarHBondContact CG-O 3.45Å; Q314-K318 PolarHBondContact NE2-O 3.16Å; P315-K318 HydrophobicContact CB-CB 4.24Å; P315-K318 HydrophobicContact CB-CD 4.17Å; P315-K318 HydrophobicContact CB-CG 4.24Å; P315-K318 HydrophobicContact CG-CB 4.48Å; P315-K318 HydrophobicContact CG-CD 4.22Å; P315-K318 PolarHBondContact O-N 2.99Å; K318-K320 VanDerWaalsContact C-N 3.34Å
319L54.5Low53.5Low171 Ų17178.2 Ų78.290%0.89541%0.41SS*.SBendtrans-74.8-25.4173.4-72.2170.2000112.8
320K72.2Confident52.7Low158 Ų15881.1 Ų81.169%0.68744%0.435SS*.  trans-81.2133.8-175.8-164.2176.3178.5-175.30110.5K318K318-K320 VanDerWaalsContact C-N 3.34Å
321K70.2Confident51.4Low109 Ų10984.1 Ų84.147%0.47446%0.461SS..  trans-89.5138.3171.2-62.9178.8-177.9-178.20109.2T296 I312 V313 Q314T296-K321 HydrophobicContact CG2-CD 4.43Å; T296-K321 HydrophobicContact CG2-CG 4.49Å; I312-K321 HydrophobicContact CG2-CB 3.8Å; I312-K321 HydrophobicContact CG2-CD 3.88Å; I312-K321 HydrophobicContact CG2-CG 4.29Å; V313-K321 CarbonylContact O-C 3.55Å; V313-K321 VanDerWaalsContact O-CA 3.24Å; V313-K321 WeakPolarHBondContact O-CA 3.36Å; Q314-K321 HydrophobicContact CB-CG 4.48Å
322D67.3Low50.4Low78 Ų7885.9 Ų85.942%0.41748%0.475SS..EExtended strand (participates in β ladder)trans-109.4154.8170.7-69.4-41.1000109.9I312 V313I312-D322 CarbonylContact C-O 3.37Å; I312-D322 WeakPolarHBondContact CA-O 3.33Å; V313-D322 HydrophobicContact CG2-CB 3.99Å; V313-D322 PolarHBondContact N-O 3.43Å; V313-D322 PolarHBondContact O-N 3.21Å
323I59.8Low48.7Very low87 Ų8787.5 Ų87.545%0.44649%0.489SS..EExtended strand (participates in β ladder)trans-113.9118.9-177.5-58.6177000108.4Q310 L311 Y325Q310-I323 HydrophobicContact CG-CG2 3.43Å; Q310-I323 VanDerWaalsContact CG-CG2 3.43Å; L311-I323 CarbonylContact O-C 3.48Å; L311-I323 WeakPolarHBondContact O-CA 2.82Å; I323-Y325 HydrophobicContact CB-CE2 4.45Å; I323-Y325 HydrophobicContact CG2-CD2 4.14Å; I323-Y325 HydrophobicContact CG2-CE1 4.29Å; I323-Y325 HydrophobicContact CG2-CE2 3.6Å
324I53.3Low47.6Very low50 Ų5089 Ų8926%0.25650%0.496SS..EExtended strand (participates in β ladder)trans-104.7123.6173.7-56.8176.1000108Q310 L311 V313Q310-I324 CarbonylContact C-O 3.33Å; Q310-I324 WeakPolarHBondContact CA-O 3.16Å; L311-I324 HydrophobicContact CB-CB 4.21Å; L311-I324 PolarHBondContact N-O 2.92Å; L311-I324 PolarHBondContact O-N 2.76Å; V313-I324 HydrophobicContact CB-CD1 4.36Å; V313-I324 HydrophobicContact CG1-CD1 3.74Å; V313-I324 HydrophobicContact CG1-CG1 4.36Å; V313-I324 HydrophobicContact CG2-CD1 3.71Å; V313-I324 HydrophobicContact CG2-CG1 3.95Å
325Y47Very low46.5Very low133 Ų13393.8 Ų93.852%0.52252%0.523SS..EExtended strand (participates in β ladder)trans-95.3110.2172.7-65.6-87.2000109.5Q310 I323Q310-Y325 HydrophobicContact CB-CD1 4.28Å; Q310-Y325 HydrophobicContact CB-CE1 4.34Å; Q310-Y325 HydrophobicContact CG-CD1 4.09Å; Q310-Y325 HydrophobicContact CG-CE1 3.81Å; Q310-Y325 PolarHBondContact NE2-OH 3.49Å; Q310-Y325 VanDerWaalsContact NE2-OH 3.13Å; I323-Y325 HydrophobicContact CB-CE2 4.45Å; I323-Y325 HydrophobicContact CG2-CD2 4.14Å; I323-Y325 HydrophobicContact CG2-CE1 4.29Å; I323-Y325 HydrophobicContact CG2-CE2 3.6Å
326I41.9Very low45.5Very low70 Ų7096.8 Ų96.836%0.35954%0.537SS..EExtended strand (participates in β ladder)trans-85117.9165.5-56.8177.9000106.3S308 S309 L311S308-I326 CarbonylContact C-O 3.47Å; S308-I326 WeakPolarHBondContact CA-O 3.27Å; S308-I326 VanDerWaalsContact CB-O 3.3Å; S308-I326 WeakPolarHBondContact CB-O 3.23Å; S309-I326 PolarHBondContact N-O 3.46Å; S309-I326 WeakPolarHBondContact O-CA 3.25Å; S309-I326 WeakPolarHBondContact O-CB 3.29Å; S309-I326 PolarHBondContact O-N 2.82Å; L311-I326 HydrophobicContact CD1-CD1 3.41Å; L311-I326 VanDerWaalsContact CD1-CD1 3.41Å; L311-I326 HydrophobicContact CD1-CG1 4.17Å; L311-I326 HydrophobicContact CD2-CD1 4.44Å; L311-I326 HydrophobicContact CG-CD1 3.75Å; L311-I326 HydrophobicContact CG-CG1 4.31Å
327K37.1Very low44.9Very low130 Ų130100.8 Ų100.857%0.56555%0.546SS*.EExtended strand (participates in β ladder)trans-119.4117.1170-73.1-176.6178.71790108.3H329K327-H329 PolarHBondContact O-N 3.5Å
328N37.1Very low43.8Very low62 Ų62106.3 Ų106.333%0.33255%0.548SS..  trans-79.595.9164.9-171.5-15.2000107.7T306 I307 Q345T306-N328 WeakPolarHBondContact CB-O 3.29Å; T306-N328 WeakPolarHBondContact CG2-O 3.23Å; I307-N328 HydrophobicContact CB-CB 4.29Å; I307-N328 WeakPolarHBondContact O-CA 3.13Å; I307-N328 WeakPolarHBondContact O-CB 3.26Å; I307-N328 PolarHBondContact O-N 3Å; N328-Q345 PolarHBondContact OD1-NE2 2.82Å
329H34.8Very low42.4Very low109 Ų109102.1 Ų102.151%0.50554%0.536SS..  trans-108.8137160-100-83.2000106.3K327 S331 S332K327-H329 PolarHBondContact O-N 3.5Å; H329-S331 PolarHBondContact O-N 2.82Å; H329-S332 WeakPolarHBondContact CB-OG 3.31Å; H329-S332 PolarHBondContact O-OG 3.09Å
330A32.3Very low41.2Very low78 Ų78100.2 Ų100.265%0.64552%0.52SS*.THydrogen-bonded Turntrans-61.323.2-168.500000116.8
331S27.4Very low39.3Very low110 Ų11095.9 Ų95.977%0.76950%0.504SS*.THydrogen-bonded Turntrans154.881.317638.40000105.8H329H329-S331 PolarHBondContact O-N 2.82Å
332S29.6Very low37.4Very low58 Ų5896.3 Ų96.341%0.40651%0.51SS..  trans-156.7125175.253.20000111.4H329H329-S332 WeakPolarHBondContact CB-OG 3.31Å; H329-S332 PolarHBondContact O-OG 3.09Å
333S29.4Very low35.7Very low59 Ų5997.1 Ų97.141%0.41351%0.514SS..  trans-55.2135.1174.945.40000113.2K340 L341S333-K340 VanDerWaalsContact CB-CG 3.41Å; S333-L341 WeakPolarHBondContact CA-O 3.46Å
334L32.7Very low34.3Very low36 Ų3697.8 Ų97.819%0.18852%0.518CS..EExtended strand (participates in β ladder)trans-83.5118.7161.2-133106.2000108L336 S339 K340 L341L334-L336 HydrophobicContact CD2-CD1 3.41Å; L334-L336 VanDerWaalsContact CD2-CD1 3.41Å; L334-L336 HydrophobicContact CD2-CG 3.9Å; L334-S339 VanDerWaalsContact O-O 3.12Å; L334-K340 WeakPolarHBondContact O-CA 3.32Å; L334-L341 HydrophobicContact CB-CB 3.67Å; L334-L341 HydrophobicContact CB-CD2 4.23Å; L334-L341 PolarHBondContact N-O 3.18Å; L334-L341 PolarHBondContact O-N 2.75Å
335N34.6Very low33.2Very low139 Ų139100.4 Ų100.474%0.74353%0.529SS*.EExtended strand (participates in β ladder)trans-85.4110167.5-101.6-20.4000108.1
336L32.6Very low32.4Very low88 Ų8899.6 Ų99.646%0.46154%0.538SS..EExtended strand (participates in β ladder)trans-125.3112171.7-97.3161.4000106.8L334 Q338 S339L334-L336 HydrophobicContact CD2-CD1 3.41Å; L334-L336 VanDerWaalsContact CD2-CD1 3.41Å; L334-L336 HydrophobicContact CD2-CG 3.9Å; L336-Q338 VanDerWaalsContact C-N 3.34Å; L336-Q338 PolarHBondContact O-N 2.78Å; L336-Q338 VanDerWaalsContact O-N 3.11Å; L336-S339 PolarHBondContact N-O 2.81Å; L336-S339 WeakPolarHBondContact O-CA 3.44Å; L336-S339 WeakPolarHBondContact O-CB 3.21Å; L336-S339 PolarHBondContact O-N 2.84Å; L336-S339 PolarHBondContact O-OG 3.4Å
337L33.8Very low31.7Very low166 Ų166103.7 Ų103.787%0.86956%0.556SS**THydrogen-bonded Turntrans43.556.5166-65.1163.5000113.4S339L337-S339 VanDerWaalsContact C-N 3.25Å; L337-S339 PolarHBondContact O-N 2.85Å
338Q31.8Very low31.2Very low206 Ų206104.5 Ų104.596%0.96356%0.562SS**THydrogen-bonded Turntrans70.6-0.9-177.5-55.4179.1-24.600117.1L336L336-Q338 VanDerWaalsContact C-N 3.34Å; L336-Q338 PolarHBondContact O-N 2.78Å; L336-Q338 VanDerWaalsContact O-N 3.11Å
339S30.7Very low30.7Very low48 Ų48105.1 Ų105.134%0.33656%0.563SS.*EExtended strand (participates in β ladder)trans-100.8148.2175.7-29.70000112.4L334 L336 L337L334-S339 VanDerWaalsContact O-O 3.12Å; L336-S339 PolarHBondContact N-O 2.81Å; L336-S339 WeakPolarHBondContact O-CA 3.44Å; L336-S339 WeakPolarHBondContact O-CB 3.21Å; L336-S339 PolarHBondContact O-N 2.84Å; L336-S339 PolarHBondContact O-OG 3.4Å; L337-S339 VanDerWaalsContact C-N 3.25Å; L337-S339 PolarHBondContact O-N 2.85Å
340K29.2Very low30.4Very low130 Ų130110 Ų11057%0.56558%0.578SS**EExtended strand (participates in β ladder)trans-113.2107.2-179.8-159.1-178.3-176.4179.90109.3S333 L334 I342S333-K340 VanDerWaalsContact CB-CG 3.41Å; L334-K340 WeakPolarHBondContact O-CA 3.32Å; K340-I342 HydrophobicContact CD-CD1 4.48Å; K340-I342 HydrophobicContact CD-CG1 4.47Å; K340-I342 HydrophobicContact CG-CG1 4.35Å
341L32.8Very low30.1Very low68 Ų68111.2 Ų111.236%0.35657%0.573SS.*EExtended strand (participates in β ladder)trans-82.8120168.7-179.974.3000108.6S333 L334 I343S333-L341 WeakPolarHBondContact CA-O 3.46Å; L334-L341 HydrophobicContact CB-CB 3.67Å; L334-L341 HydrophobicContact CB-CD2 4.23Å; L334-L341 PolarHBondContact N-O 3.18Å; L334-L341 PolarHBondContact O-N 2.75Å; L341-I343 HydrophobicContact CD2-CD1 4.49Å; L341-I343 HydrophobicContact CD2-CG1 4.47Å; L341-I343 HydrophobicContact CG-CG1 4.44Å
342I30.5Very low30.1Very low118 Ų118112.6 Ų112.661%0.60557%0.57SS**  trans-105.2127.9174.6-58.1176.6000107.6K340K340-I342 HydrophobicContact CD-CD1 4.48Å; K340-I342 HydrophobicContact CD-CG1 4.47Å; K340-I342 HydrophobicContact CG-CG1 4.35Å
343I31.1Very low30.1Very low95 Ų95116 Ų11649%0.48758%0.58SS.*  trans-110.3103.7173.4-57.6173.9000106.1L341L341-I343 HydrophobicContact CD2-CD1 4.49Å; L341-I343 HydrophobicContact CD2-CG1 4.47Å; L341-I343 HydrophobicContact CG-CG1 4.44Å
344D30.8Very low30.2Very low101 Ų101114.6 Ų114.654%0.5458%0.575SS.*  trans-77.4129.1168.7-162.4-30.3000108.8T346D344-T346 WeakPolarHBondContact OD1-CB 3.36Å; D344-T346 PolarHBondContact OD1-N 3.33Å; D344-T346 PolarHBondContact OD1-OG1 3.18Å
345Q30.4Very low30.1Very low105 Ų105120.8 Ų120.849%0.49161%0.609SS.*SBendtrans-99-1.3-177.5-63.4-166.2-16.400112.9N328N328-Q345 PolarHBondContact OD1-NE2 2.82Å
346T29.3Very low30Very low116 Ų116119.9 Ų119.971%0.71260%0.598SS**SBendtrans-90.9-24.5-176.757.30000113.2D344D344-T346 WeakPolarHBondContact OD1-CB 3.36Å; D344-T346 PolarHBondContact OD1-N 3.33Å; D344-T346 PolarHBondContact OD1-OG1 3.18Å
347E27.8Very low29.9Very low156 Ų156123 Ų12373%0.72962%0.621SS**SBendtrans-142.5117.8178.2-61.4-170.4172.300109.5Q349E347-Q349 PolarHBondContact O-N 2.86Å
348Q25.6Very low29.7Very low146 Ų146121.7 Ų121.768%0.68261%0.611SS**  trans-69.681.1-172-70.2-176-15.600112.6
349Q28.5Very low29.6Very low76 Ų76116.2 Ų116.236%0.35559%0.591SS.*  trans-138.1133166.3-67.8-175.60.900111.6F270 E347 L351F270-Q349 VanDerWaalsContact N-NE2 3.12Å; F270-Q349 PolarHBondContact O-NE2 3.32Å; E347-Q349 PolarHBondContact O-N 2.86Å; Q349-L351 PolarHBondContact O-N 2.8Å
350Y28.5Very low29.5Very low212 Ų212117.2 Ų117.283%0.83159%0.592SS**  trans-84.4111.1174.8-61.3-84.1000108.6L274L274-Y350 HydrophobicContact CD1-CE2 4.41Å
351L25.2Very low29.4Very low102 Ų102115.1 Ų115.153%0.53459%0.593SS.*  trans-105.8127.2169.8-151.589.3000109.3Q349Q349-L351 PolarHBondContact O-N 2.8Å
352I28.2Very low29.2Very low139 Ų139119 Ų11971%0.71361%0.613SS**  trans-108.7118.2169.2-61.6175.8000107.2
353Q29.1Very low29.1Very low129 Ų129120.8 Ų120.860%0.60361%0.614SS**  trans-127.3120174.8-152.5177.719.500107.4
354G30.1Very low28.9Very low31 Ų31122.9 Ų122.932%0.3263%0.625SS.*  trans-157.9131.4-177.800000113F356G354-F356 VanDerWaalsContact O-CD2 3.29Å; G354-F356 WeakPolarHBondContact O-CD2 3.43Å; G354-F356 WeakPolarHBondContact O-CE2 3.43Å; G354-F356 PolarHBondContact O-N 3.01Å; G354-F356 VanDerWaalsContact O-N 3.16Å
355D31.1Very low28.9Very low166 Ų166124.2 Ų124.289%0.88863%0.628SS**  trans-69.5102.3169.5-88.6-26.8000108.8
356F32.9Very low28.7Very low120 Ų120122.7 Ų122.753%0.52663%0.626SS.*  trans-75.8126.7169.5-54.3-76.2000108.3G354 E358 I360G354-F356 VanDerWaalsContact O-CD2 3.29Å; G354-F356 WeakPolarHBondContact O-CD2 3.43Å; G354-F356 WeakPolarHBondContact O-CE2 3.43Å; G354-F356 PolarHBondContact O-N 3.01Å; G354-F356 VanDerWaalsContact O-N 3.16Å; F356-E358 WeakPolarHBondContact CB-O 3.41Å; F356-E358 PolarHBondContact O-N 3.06Å; F356-I360 HydrophobicContact CB-CD1 4.23Å; F356-I360 HydrophobicContact CB-CG1 3.92Å; F356-I360 HydrophobicContact CD1-CD1 3.18Å; F356-I360 HydrophobicContact CD1-CG1 3.83Å; F356-I360 HydrophobicContact CD2-CB 3.95Å; F356-I360 HydrophobicContact CD2-CD1 3.79Å; F356-I360 HydrophobicContact CD2-CG1 3.69Å; F356-I360 HydrophobicContact CE1-CD1 3.26Å; F356-I360 HydrophobicContact CE1-CG1 4.24Å; F356-I360 HydrophobicContact CE2-CB 4.13Å; F356-I360 HydrophobicContact CE2-CD1 3.85Å; F356-I360 HydrophobicContact CE2-CG1 4.11Å; F356-I360 HydrophobicContact CG-CB 4.32Å; F356-I360 HydrophobicContact CG-CD1 3.46Å; F356-I360 VanDerWaalsContact CG-CD1 3.46Å; F356-I360 HydrophobicContact CG-CG1 3.53Å; F356-I360 HydrophobicContact CZ-CD1 3.6Å; F356-I360 HydrophobicContact CZ-CG1 4.37Å
357T31.1Very low28.8Very low153 Ų153122.5 Ų122.594%0.93962%0.617SS**SBendtrans-63.2-7.117147.50000112.9
358E29.2Very low28.9Very low139 Ų139123.4 Ų123.465%0.6561%0.614SS**SBendtrans-129.6128.3170.8-63.6179.117100106.5F356 I360F356-E358 WeakPolarHBondContact CB-O 3.41Å; F356-E358 PolarHBondContact O-N 3.06Å; E358-I360 PolarHBondContact O-N 3.26Å
359T28.7Very low29.3Very low91 Ų91121.4 Ų121.456%0.55861%0.607SS**  trans-50139.7176.4-19.90000109.2C383T359-C383 VanDerWaalsContact CB-O 3.28Å; T359-C383 WeakPolarHBondContact CB-O 3.31Å; T359-C383 HydrophobicContact CG2-CB 4.48Å; T359-C383 WeakPolarHBondContact O-CB 3.44Å; T359-C383 PolarHBondContact O-SG 2.66Å; T359-C383 PolarHBondContact OG1-O 2.63Å
360I28.9Very low29.4Very low68 Ų68125 Ų12535%0.34963%0.629SS.*  trans-113.6105.6170.7-61.4-165.3000106.9F356 E358 L362F356-I360 HydrophobicContact CB-CD1 4.23Å; F356-I360 HydrophobicContact CB-CG1 3.92Å; F356-I360 HydrophobicContact CD1-CD1 3.18Å; F356-I360 HydrophobicContact CD1-CG1 3.83Å; F356-I360 HydrophobicContact CD2-CB 3.95Å; F356-I360 HydrophobicContact CD2-CD1 3.79Å; F356-I360 HydrophobicContact CD2-CG1 3.69Å; F356-I360 HydrophobicContact CE1-CD1 3.26Å; F356-I360 HydrophobicContact CE1-CG1 4.24Å; F356-I360 HydrophobicContact CE2-CB 4.13Å; F356-I360 HydrophobicContact CE2-CD1 3.85Å; F356-I360 HydrophobicContact CE2-CG1 4.11Å; F356-I360 HydrophobicContact CG-CB 4.32Å; F356-I360 HydrophobicContact CG-CD1 3.46Å; F356-I360 VanDerWaalsContact CG-CD1 3.46Å; F356-I360 HydrophobicContact CG-CG1 3.53Å; F356-I360 HydrophobicContact CZ-CD1 3.6Å; F356-I360 HydrophobicContact CZ-CG1 4.37Å; E358-I360 PolarHBondContact O-N 3.26Å; I360-L362 HydrophobicContact CG2-CD1 4.45Å; I360-L362 HydrophobicContact CG2-CG 4.09Å; I360-L362 PolarHBondContact O-N 3.48Å
361C28.3Very low29.5Very low86 Ų86118.2 Ų118.258%0.58162%0.617SS**  trans-84.2104.9173.3-68.30000109C383C361-C383 HydrophobicContact CB-CB 4.48Å; C361-C383 PolarHBondContact N-SG 3.14Å
362L27Very low29.5Very low151 Ų151122 Ų12279%0.79162%0.624SS**  trans-97.9119.1167.3-71.7161.9000107.7I360I360-L362 HydrophobicContact CG2-CD1 4.45Å; I360-L362 HydrophobicContact CG2-CG 4.09Å; I360-L362 PolarHBondContact O-N 3.48Å
363Y29.1Very low29.5Very low155 Ų155119.4 Ų119.461%0.60861%0.609SS**  trans-121.2131.8167.464.1-89000109.5E365 N378Y363-E365 HydrophobicContact CD2-CB 4.26Å; Y363-E365 HydrophobicContact CE2-CB 4.38Å; Y363-N378 PolarHBondContact OH-ND2 2.92Å
364L26.6Very low29.4Very low138 Ų138122.1 Ų122.172%0.72361%0.613SS**  trans-90.8109170.3-124.2108000107.1T366 Y375L364-T366 HydrophobicContact CD2-CG2 4.32Å; L364-Y375 HydrophobicContact CD2-CE1 4.39Å
365E31Very low29.4Very low130 Ų130127.1 Ų127.161%0.60762%0.623SS**  trans-97.4109.4170.1-166.1168-156.200108.8Y363Y363-E365 HydrophobicContact CD2-CB 4.26Å; Y363-E365 HydrophobicContact CE2-CB 4.38Å
366T26.9Very low29.4Very low73 Ų73127.5 Ų127.545%0.44862%0.617SS.*  trans-91.6104172.952.40000109.6L364L364-T366 HydrophobicContact CD2-CG2 4.32Å
367E30.6Very low29.2Very low111 Ų111132 Ų13252%0.51963%0.631SS.*EExtended strand (participates in β ladder)trans-91.8127.3165.7-81.7-169149.400110.9
368W31.4Very low29.3Very low175 Ų175129.6 Ų129.666%0.66361%0.613SS**EExtended strand (participates in β ladder)trans-95.199.4173.7-68.185.2000109.7
369L32.1Very low29.5Very low104 Ų104129.6 Ų129.655%0.54562%0.621SS.*EExtended strand (participates in β ladder)trans-127.3116.4170-90.1154.3000109.1A371 R372L369-A371 PolarHBondContact O-N 3.3Å; L369-R372 PolarHBondContact O-N 3.3Å
370N32.4Very low29.6Very low151 Ų151130.3 Ų130.381%0.80763%0.628SS**THydrogen-bonded Turntrans55.148.7175.5-60.1-33.5000115.2R372N370-R372 PolarHBondContact O-N 3.45Å
371A29.2Very low29.8Very low70 Ų70130 Ų13058%0.57964%0.641SS**THydrogen-bonded Turntrans57.618.8174.600000115.6L369L369-A371 PolarHBondContact O-N 3.3Å
372R26Very low30.2Very low183 Ų183130.9 Ų130.969%0.69165%0.649SS**EExtended strand (participates in β ladder)trans-118.5120.6172.5-68.9-176.6177.5-174.4-1.8109.2L369 N370L369-R372 PolarHBondContact O-N 3.3Å; N370-R372 PolarHBondContact O-N 3.45Å
373Q28.3Very low30.3Very low84 Ų84125.4 Ų125.439%0.39362%0.623SS.*EExtended strand (participates in β ladder)trans-67.1133.2165.6-87.7171.6-23.300108.9Y375Q373-Y375 HydrophobicContact CB-CE2 4.01Å; Q373-Y375 PolarHBondContact OE1-OH 3.37Å
374R27.3Very low30.4Very low185 Ų185120.5 Ų120.570%0.69862%0.619SS**EExtended strand (participates in β ladder)trans-111127.8166.6-73.5-177173.8-178.3-2.6108.2
375Y28.9Very low30.6Very low136 Ų136119.4 Ų119.453%0.53362%0.623SS.*  trans-99.8123171.2-59.9-85.1000107.4L364 Q373L364-Y375 HydrophobicContact CD2-CE1 4.39Å; Q373-Y375 HydrophobicContact CB-CE2 4.01Å; Q373-Y375 PolarHBondContact OE1-OH 3.37Å
376K30.6Very low30.5Very low175 Ų175118.3 Ų118.376%0.76163%0.625SS**  trans-115.5128.8174.2-167.2176.5177.9-176.60108.8
377W29.1Very low30.4Very low214 Ų214121 Ų12181%0.81164%0.644SS**  trans-109.3127.5177.5-5978.5000108.1
378N33.8Very low30.2Very low103 Ų103123.7 Ų123.755%0.55165%0.654SS**PPolyproline II helixtrans-103.7147.2171.1-71.8-27000109.6Y363Y363-N378 PolarHBondContact OH-ND2 2.92Å
379V32.4Very low29.8Very low138 Ų138124.3 Ų124.384%0.83666%0.664SS**PPolyproline II helixtrans-78.5140.5176.8-176.60000109.3G381V379-G381 PolarHBondContact O-N 3.26Å
380P32.2Very low29.5Very low106 Ų106121.1 Ų121.169%0.68866%0.656SS**PPolyproline II helixtrans-76.3125.9-170-4.821.5000111.8
381G32.1Very low29.1Very low62 Ų62120.6 Ų120.664%0.63965%0.647SS**  trans-125109.9163.500000110V379V379-G381 PolarHBondContact O-N 3.26Å
382S36.4Very low28.8Very low105 Ų105126.4 Ų126.473%0.73466%0.66SS**  trans36.594.7165.362.90000118.3G384S382-G384 VanDerWaalsContact C-N 3.26Å; S382-G384 PolarHBondContact O-N 3.27Å; S382-G384 VanDerWaalsContact O-N 3.13Å
383C30Very low28.7Very low36 Ų36123 Ų12324%0.24366%0.663CS.*  trans-88.245178.1-54.30000113.7T359 C361T359-C383 VanDerWaalsContact CB-O 3.28Å; T359-C383 WeakPolarHBondContact CB-O 3.31Å; T359-C383 HydrophobicContact CG2-CB 4.48Å; T359-C383 WeakPolarHBondContact O-CB 3.44Å; T359-C383 PolarHBondContact O-SG 2.66Å; T359-C383 PolarHBondContact OG1-O 2.63Å; C361-C383 HydrophobicContact CB-CB 4.48Å; C361-C383 PolarHBondContact N-SG 3.14Å
384G30.7Very low28.6Very low52 Ų52124.5 Ų124.554%0.53668%0.678SS.*  trans-110109.4-18000000111.6S382S382-G384 VanDerWaalsContact C-N 3.26Å; S382-G384 PolarHBondContact O-N 3.27Å; S382-G384 VanDerWaalsContact O-N 3.13Å
385S31Very low28.7Very low114 Ų114121.4 Ų121.480%0.79768%0.684SS**SBendtrans57.182.8157.459.90000117.6
386T29.5Very low29.2Very low107 Ų107120.1 Ų120.166%0.65669%0.686SS**  trans169.7144.8143.726.90000110.4F388T386-F388 VanDerWaalsContact C-N 3.3Å; T386-F388 PolarHBondContact O-N 2.85Å
387P25.4Very low29.6Very low131 Ų131114.6 Ų114.685%0.85167%0.668SS**  trans-70.688.617329.3-31.1000108.7
388F25.5Very low30.7Very low166 Ų166105.5 Ų105.573%0.72863%0.634SS**  trans-100.499.6-167.3-138.5-92.4000111.1T386 G390T386-F388 VanDerWaalsContact C-N 3.3Å; T386-F388 PolarHBondContact O-N 2.85Å; F388-G390 VanDerWaalsContact CD1-O 3.28Å; F388-G390 WeakPolarHBondContact CD1-O 3.33Å; F388-G390 VanDerWaalsContact CE1-O 3.28Å; F388-G390 WeakPolarHBondContact CE1-O 3.3Å
389H24Very low31.8Very low188 Ų188107 Ų10787%0.8764%0.637SS**  trans-81.8123.9159.1-74.6-85.7000108.9
390G24.4Very low33.6Very low37 Ų37103.8 Ų103.838%0.38161%0.611SS.*  trans95.1154.3163.200000116.9F388F388-G390 VanDerWaalsContact CD1-O 3.28Å; F388-G390 WeakPolarHBondContact CD1-O 3.33Å; F388-G390 VanDerWaalsContact CE1-O 3.28Å; F388-G390 WeakPolarHBondContact CE1-O 3.3Å
391F23.9Very low35.6Very low140 Ų14098.9 Ų98.961%0.61458%0.579SS**  cis-158.4-165.3-13.4-96-77000106.6
392F23.6Very low37.8Very low193 Ų19396.3 Ų96.385%0.84655%0.55SS**  trans97.5122.8170.4-52.4-66.6000115.5
393C22.7Very low40Very low112 Ų11291.3 Ų91.376%0.75752%0.515SS*.  cis-158122.65.5-85.80000108.9
394T26.4Very low42.2Very low114 Ų11495.7 Ų95.770%0.69953%0.53SS*.  trans-130.6108.9150.651.90000107.2I396T394-I396 PolarHBondContact O-N 3.47Å
395S31.1Very low44.5Very low120 Ų12096.1 Ų96.184%0.83952%0.521SS*.  trans-72.960.6-176.255.90000112.6P397S395-P397 WeakPolarHBondContact O-CD 3.4Å
396I38Very low46.9Very low109 Ų10993.9 Ų93.956%0.55950%0.496SS*.  trans-108.799.8161.4-53.4-179.2000106.8T394T394-I396 PolarHBondContact O-N 3.47Å
397P40.3Very low49.2Very low59 Ų5994.9 Ų94.938%0.38350%0.503SS..  trans-57.9144.8170.721.9-31000110.5S395 Q399 F438S395-P397 WeakPolarHBondContact O-CD 3.4Å; P397-Q399 PolarHBondContact O-N 3.29Å; P397-Q399 VanDerWaalsContact O-N 3.16Å; P397-F438 HydrophobicContact CB-CB 3.89Å; P397-F438 HydrophobicContact CB-CD1 3.7Å; P397-F438 HydrophobicContact CB-CD2 3.04Å; P397-F438 HydrophobicContact CB-CE1 3.88Å; P397-F438 HydrophobicContact CB-CE2 3.26Å; P397-F438 HydrophobicContact CB-CG 3.26Å; P397-F438 HydrophobicContact CB-CZ 3.67Å; P397-F438 HydrophobicContact CG-CD2 4.44Å; P397-F438 HydrophobicContact CG-CG 4.4Å
398F50.7Low51.9Low23 Ų2392 Ų9210%0.10148%0.48CS..  trans-48.8123.1167.1-70.4-74.4000109.3C415 S416 G418 E420 V422 F438F398-C415 HydrophobicContact CD1-CB 3.34Å; F398-C415 HydrophobicContact CE1-CB 3.5Å; F398-C415 HydrophobicContact CG-CB 4.31Å; F398-S416 VanDerWaalsContact CD1-O 3.26Å; F398-S416 WeakPolarHBondContact CD1-O 3.41Å; F398-G418 VanDerWaalsContact CE1-CA 3.46Å; F398-E420 HydrophobicContact CE2-CB 4.08Å; F398-E420 HydrophobicContact CZ-CB 3.93Å; F398-E420 WeakPolarHBondContact CZ-O 2.96Å; F398-V422 HydrophobicContact CE2-CG2 4.26Å; F398-V422 HydrophobicContact CZ-CG2 4.4Å; F398-F438 HydrophobicContact CB-CE2 4.34Å; F398-F438 HydrophobicContact CD2-CE2 4.17Å; F398-F438 VanDerWaalsContact N-CE2 3.34Å
399Q58Low54.3Low134 Ų13490.3 Ų90.363%0.62648%0.479SS*.  trans-77.7-34.8175.2-68.3-175.9-23.200110.6P397 S416P397-Q399 PolarHBondContact O-N 3.29Å; P397-Q399 VanDerWaalsContact O-N 3.16Å; Q399-S416 WeakPolarHBondContact CB-OG 3.28Å; Q399-S416 PolarHBondContact N-OG 3.4Å
400W70.6Confident56.9Low72 Ų7288.8 Ų88.827%0.27347%0.472SS..EExtended strand (participates in β ladder)trans-163.8162.1175.262.4-70.4000113N402 C415 S416 A434 F435 V436 L448W400-N402 WeakPolarHBondContact CZ3-ND2 2.87Å; W400-N402 WeakPolarHBondContact CZ3-OD1 3.41Å; W400-C415 CarbonylContact O-C 3.33Å; W400-C415 VanDerWaalsContact O-CA 3.32Å; W400-C415 WeakPolarHBondContact O-CA 3.39Å; W400-S416 VanDerWaalsContact CD1-CB 3.44Å; W400-S416 PolarHBondContact O-N 3.25Å; W400-A434 HydrophobicContact CE3-CB 4.18Å; W400-F435 CarbonylContact C-O 3.51Å; W400-F435 WeakPolarHBondContact CA-O 3.48Å; W400-F435 VanDerWaalsContact CB-O 3.28Å; W400-F435 WeakPolarHBondContact CB-O 3.42Å; W400-V436 HydrophobicContact CB-CG2 4.02Å; W400-L448 HydrophobicContact CD2-CD1 4.12Å; W400-L448 HydrophobicContact CE3-CD1 3.9Å; W400-L448 HydrophobicContact CH2-CB 4.42Å; W400-L448 HydrophobicContact CH2-CD1 4.36Å; W400-L448 HydrophobicContact CZ3-CB 3.99Å; W400-L448 HydrophobicContact CZ3-CD1 3.95Å; W400-L448 HydrophobicContact CZ3-CG 4.44Å
401C73.4Confident59.5Low3 Ų387.8 Ų87.82%0.0246%0.46CS..EExtended strand (participates in β ladder)trans-144.8126.8175-1600000114C413 E414 C415 A434 F435C401-C413 WeakPolarHBondContact SG-CB 3.28Å; C401-E414 WeakPolarHBondContact CA-O 3.42Å; C401-E414 VanDerWaalsContact SG-C 3.57Å; C401-C415 HydrophobicContact CB-CB 3.66Å; C401-C415 WeakPolarHBondContact CB-SG 3.46Å; C401-C415 WeakPolarHBondContact SG-CA 3.16Å; C401-C415 WeakPolarHBondContact SG-CB 3.32Å; C401-C415 PolarHBondContact SG-N 2.7Å; C401-C415 VanDerWaalsContact SG-N 3.43Å; C401-C415 CovalentContact SG-SG 2.04Å; C401-C415 PolarHBondContact SG-SG 3.19Å; C401-A434 CarbonylContact O-C 3.6Å; C401-A434 VanDerWaalsContact O-CA 3.23Å; C401-A434 WeakPolarHBondContact O-CA 3.43Å; C401-F435 HydrophobicContact CB-CB 4.24Å; C401-F435 HydrophobicContact CB-CD1 4.44Å; C401-F435 PolarHBondContact N-O 3.06Å; C401-F435 PolarHBondContact O-N 3.07Å
402N78.7Confident62.2Low7 Ų785.8 Ų85.84%0.03745%0.452CS..EExtended strand (participates in β ladder)trans-84.9127.2178.7-79.3-30.9000112.6W400 F404 C413 E414W400-N402 WeakPolarHBondContact CZ3-ND2 2.87Å; W400-N402 WeakPolarHBondContact CZ3-OD1 3.41Å; N402-F404 HydrophobicContact CB-CD2 4.34Å; N402-F404 HydrophobicContact CB-CE2 3.71Å; N402-F404 HydrophobicContact CB-CZ 3.81Å; N402-C413 WeakPolarHBondContact O-CA 3.28Å; N402-C413 WeakPolarHBondContact O-CB 3.28Å; N402-E414 HydrophobicContact CB-CB 4.36Å; N402-E414 PolarHBondContact N-O 3.37Å; N402-E414 PolarHBondContact O-N 2.73Å; N402-E414 VanDerWaalsContact O-N 3.15Å
403V81.6Confident64.9Low1 Ų177 Ų771%0.00642%0.415CS..  trans-94.5105.8175.1-171.80000110.5K406 C413 C424 V427 C429 N430 K432 E433V403-K406 HydrophobicContact CG1-CB 4.29Å; V403-C413 VanDerWaalsContact CA-SG 3.59Å; V403-C424 HydrophobicContact CG1-CB 4.33Å; V403-V427 HydrophobicContact CG2-CB 4Å; V403-V427 HydrophobicContact CG2-CG1 3.61Å; V403-C429 HydrophobicContact CG2-CB 3.97Å; V403-N430 WeakPolarHBondContact CB-O 3.42Å; V403-K432 PolarHBondContact O-N 2.96Å; V403-E433 PolarHBondContact N-O 2.85Å
404F76Confident67.2Low127 Ų12777.4 Ų77.456%0.55741%0.406SS*.SBendtrans-90.9-42.3179.2-66.3-72.9000113.4N402 E414N402-F404 HydrophobicContact CB-CD2 4.34Å; N402-F404 HydrophobicContact CB-CE2 3.71Å; N402-F404 HydrophobicContact CB-CZ 3.81Å; F404-E414 HydrophobicContact CD2-CB 4.41Å; F404-E414 HydrophobicContact CE2-CB 3.59Å; F404-E414 WeakPolarHBondContact CE2-OE2 3.04Å; F404-E414 HydrophobicContact CZ-CB 4.48Å; F404-E414 WeakPolarHBondContact CZ-OE2 3.26Å
405N80.2Confident69.3Low62 Ų6273.6 Ų73.633%0.33238%0.383SS..  trans-144106.1-176.7-173.8-1.5000109.9T407 D408 A411 C424N405-T407 PolarHBondContact OD1-N 3.11Å; N405-T407 VanDerWaalsContact OD1-N 3.1Å; N405-T407 PolarHBondContact OD1-OG1 3.27Å; N405-D408 WeakPolarHBondContact ND2-CB 3.29Å; N405-A411 HydrophobicContact CB-CB 4.12Å; N405-A411 WeakPolarHBondContact O-CB 3.26Å; N405-C424 VanDerWaalsContact O-CB 3.28Å; N405-C424 WeakPolarHBondContact O-CB 3.09Å
406K81.7Confident70.9Confident66 Ų6668.3 Ų68.329%0.28735%0.346SS..SBendtrans-86.3-15178.1-163.6168.4-173.2163.40113.3V403 V427 P428 C429 S431V403-K406 HydrophobicContact CG1-CB 4.29Å; K406-V427 PolarHBondContact NZ-O 3.26Å; K406-P428 PolarHBondContact NZ-O 2.75Å; K406-C429 PolarHBondContact NZ-O 3.12Å; K406-S431 PolarHBondContact N-OG 3.28Å
407T78.1Confident71.6Confident129 Ų12968.3 Ų68.379%0.79135%0.354SS*.SBendtrans-86.4-6.9-174.645.70000114.2N405N405-T407 PolarHBondContact OD1-N 3.11Å; N405-T407 VanDerWaalsContact OD1-N 3.1Å; N405-T407 PolarHBondContact OD1-OG1 3.27Å
408D80Confident72.3Confident71 Ų7167.2 Ų67.238%0.3835%0.353SS..  trans-109.8112.2-178.6179-1.4000108.8N405 E410 A411N405-D408 WeakPolarHBondContact ND2-CB 3.29Å; D408-E410 PolarHBondContact O-N 3.01Å; D408-E410 VanDerWaalsContact O-N 3.08Å; D408-E410 WeakPolarHBondContact OD1-CB 2.97Å; D408-E410 PolarHBondContact OD1-N 2.8Å; D408-A411 HydrophobicContact CB-CB 3.74Å; D408-A411 WeakPolarHBondContact O-CB 3.31Å; D408-A411 PolarHBondContact O-N 3.37Å
409D76.3Confident72Confident130 Ų13070.3 Ų70.370%0.69538%0.375SS*.THydrogen-bonded Turntrans-63.6-12.2-178.4-69.2-28000113.1K423D409-K423 PolarHBondContact O-NZ 2.73Å
410E80Confident72Confident156 Ų15669.4 Ų69.473%0.72937%0.371SS*.THydrogen-bonded Turntrans-102.1-8174.6-57-168.7169.600113D408 H412D408-E410 PolarHBondContact O-N 3.01Å; D408-E410 VanDerWaalsContact O-N 3.08Å; D408-E410 WeakPolarHBondContact OD1-CB 2.97Å; D408-E410 PolarHBondContact OD1-N 2.8Å; E410-H412 PolarHBondContact O-CE1 2.93Å; E410-H412 VanDerWaalsContact O-CE1 3.25Å; E410-H412 PolarHBondContact O-ND1 3.22Å
411A78.8Confident72Confident15 Ų1574.4 Ų74.412%0.12439%0.394CS..  trans-71.1134.2178.700000111.6N405 D408 C424N405-A411 HydrophobicContact CB-CB 4.12Å; N405-A411 WeakPolarHBondContact O-CB 3.26Å; D408-A411 HydrophobicContact CB-CB 3.74Å; D408-A411 WeakPolarHBondContact O-CB 3.31Å; D408-A411 PolarHBondContact O-N 3.37Å; A411-C424 HydrophobicContact CB-CB 4.49Å; A411-C424 PolarHBondContact O-N 3.38Å
412H80.6Confident71.9Confident98 Ų9875.9 Ų75.945%0.45440%0.403SS..BIsolated β-bridgetrans-107.5140.7177-6579.5000109.8E410E410-H412 PolarHBondContact O-CE1 2.93Å; E410-H412 VanDerWaalsContact O-CE1 3.25Å; E410-H412 PolarHBondContact O-ND1 3.22Å
413C78.8Confident72.1Confident10 Ų1080.2 Ų80.27%0.06842%0.422CS..  trans-85.7149.9178.8-75.10000110.1C401 N402 V403 C415 V422 C424 V427C401-C413 WeakPolarHBondContact SG-CB 3.28Å; N402-C413 WeakPolarHBondContact O-CA 3.28Å; N402-C413 WeakPolarHBondContact O-CB 3.28Å; V403-C413 VanDerWaalsContact CA-SG 3.59Å; C413-C415 PolarHBondContact O-N 3.32Å; C413-V422 PolarHBondContact N-O 2.9Å; C413-C424 WeakPolarHBondContact CA-SG 3.49Å; C413-C424 HydrophobicContact CB-CB 4.47Å; C413-C424 WeakPolarHBondContact CB-SG 3.26Å; C413-C424 PolarHBondContact N-SG 3.05Å; C413-C424 WeakPolarHBondContact SG-CA 3.17Å; C413-C424 WeakPolarHBondContact SG-CB 3.06Å; C413-C424 CovalentContact SG-SG 2.06Å; C413-C424 PolarHBondContact SG-SG 3.27Å; C413-V427 HydrophobicContact CB-CG2 4.33Å
414E72.4Confident72.1Confident119 Ų11980.2 Ų80.256%0.55642%0.422SS*.EExtended strand (participates in β ladder)trans-88.7100.2179.8-173.5-178.9-162.300109C401 N402 F404C401-E414 WeakPolarHBondContact CA-O 3.42Å; C401-E414 VanDerWaalsContact SG-C 3.57Å; N402-E414 HydrophobicContact CB-CB 4.36Å; N402-E414 PolarHBondContact N-O 3.37Å; N402-E414 PolarHBondContact O-N 2.73Å; N402-E414 VanDerWaalsContact O-N 3.15Å; F404-E414 HydrophobicContact CD2-CB 4.41Å; F404-E414 HydrophobicContact CE2-CB 3.59Å; F404-E414 WeakPolarHBondContact CE2-OE2 3.04Å; F404-E414 HydrophobicContact CZ-CB 4.48Å; F404-E414 WeakPolarHBondContact CZ-OE2 3.26Å
415C70.1Confident72.3Confident34 Ų3476.2 Ų76.223%0.2342%0.416CS..EExtended strand (participates in β ladder)trans-98.2148.2-179.5-450000111.8F398 W400 C401 C413F398-C415 HydrophobicContact CD1-CB 3.34Å; F398-C415 HydrophobicContact CE1-CB 3.5Å; F398-C415 HydrophobicContact CG-CB 4.31Å; W400-C415 CarbonylContact O-C 3.33Å; W400-C415 VanDerWaalsContact O-CA 3.32Å; W400-C415 WeakPolarHBondContact O-CA 3.39Å; C401-C415 HydrophobicContact CB-CB 3.66Å; C401-C415 WeakPolarHBondContact CB-SG 3.46Å; C401-C415 WeakPolarHBondContact SG-CA 3.16Å; C401-C415 WeakPolarHBondContact SG-CB 3.32Å; C401-C415 PolarHBondContact SG-N 2.7Å; C401-C415 VanDerWaalsContact SG-N 3.43Å; C401-C415 CovalentContact SG-SG 2.04Å; C401-C415 PolarHBondContact SG-SG 3.19Å; C413-C415 PolarHBondContact O-N 3.32Å
416S64.2Low72.4Confident9 Ų979.3 Ų79.36%0.06343%0.433CS..SBendtrans-56.5162.6168.993.70000110.6F398 Q399 W400 G418F398-S416 VanDerWaalsContact CD1-O 3.26Å; F398-S416 WeakPolarHBondContact CD1-O 3.41Å; Q399-S416 WeakPolarHBondContact CB-OG 3.28Å; Q399-S416 PolarHBondContact N-OG 3.4Å; W400-S416 VanDerWaalsContact CD1-CB 3.44Å; W400-S416 PolarHBondContact O-N 3.25Å; S416-G418 PolarHBondContact O-N 3.42Å
417P52.8Low72.4Confident110 Ų11076.5 Ų76.571%0.71442%0.422SS*.SBendtrans-51.4116.7-169.520.7-32.5000112
418G54.5Low72.6Confident35 Ų3574 Ų7436%0.36141%0.408SS..  trans-163.4159.7179.900000109.2F398 S416 E420F398-G418 VanDerWaalsContact CE1-CA 3.46Å; S416-G418 PolarHBondContact O-N 3.42Å; G418-E420 VanDerWaalsContact C-N 3.29Å; G418-E420 PolarHBondContact O-N 2.8Å
419P44.3Very low72.9Confident89 Ų8970.7 Ų70.758%0.57839%0.39SS*.SBendtrans-77.7-8.4-165.129.7-35.6000114.9
420E59.9Low73.5Confident115 Ų11568.8 Ų68.854%0.53738%0.38SS..  trans-126.1128-163.9-157.6168.7-16800111.9F398 G418 V422F398-E420 HydrophobicContact CE2-CB 4.08Å; F398-E420 HydrophobicContact CZ-CB 3.93Å; F398-E420 WeakPolarHBondContact CZ-O 2.96Å; G418-E420 VanDerWaalsContact C-N 3.29Å; G418-E420 PolarHBondContact O-N 2.8Å; E420-V422 PolarHBondContact O-N 3.14Å
421K69Low73.8Confident176 Ų17664 Ų6477%0.76536%0.363SS*.  trans-75.6115167.2-63.9-175.9178176.90107.5
422V72.6Confident73.9Confident34 Ų3471.2 Ų71.221%0.20639%0.392CS..  trans-87.7123.2177.5-174.40000109F398 C413 E420 C424 N426 V427F398-V422 HydrophobicContact CE2-CG2 4.26Å; F398-V422 HydrophobicContact CZ-CG2 4.4Å; C413-V422 PolarHBondContact N-O 2.9Å; E420-V422 PolarHBondContact O-N 3.14Å; V422-C424 PolarHBondContact O-N 3.41Å; V422-N426 HydrophobicContact CG1-CB 4.34Å; V422-V427 HydrophobicContact CB-CG2 4.49Å; V422-V427 HydrophobicContact CG1-CG2 3.61Å
423K82.8Confident74.2Confident99 Ų9969 Ų6943%0.4338%0.381SS..BIsolated β-bridgetrans-61.1133.2168.9-72.3-168.4171.8-153.70109.4D409 G425 N426D409-K423 PolarHBondContact O-NZ 2.73Å; K423-G425 PolarHBondContact O-N 3.33Å; K423-G425 VanDerWaalsContact O-N 3.16Å; K423-N426 WeakPolarHBondContact O-CB 3.38Å; K423-N426 PolarHBondContact O-N 3.06Å
424C80.9Confident74.2Confident0 Ų068.5 Ų68.50%038%0.378CS..G310 helixtrans-62.1-26-178.7-77.70000113.8V403 N405 A411 C413 V422 N426 V427V403-C424 HydrophobicContact CG1-CB 4.33Å; N405-C424 VanDerWaalsContact O-CB 3.28Å; N405-C424 WeakPolarHBondContact O-CB 3.09Å; A411-C424 HydrophobicContact CB-CB 4.49Å; A411-C424 PolarHBondContact O-N 3.38Å; C413-C424 WeakPolarHBondContact CA-SG 3.49Å; C413-C424 HydrophobicContact CB-CB 4.47Å; C413-C424 WeakPolarHBondContact CB-SG 3.26Å; C413-C424 PolarHBondContact N-SG 3.05Å; C413-C424 WeakPolarHBondContact SG-CA 3.17Å; C413-C424 WeakPolarHBondContact SG-CB 3.06Å; C413-C424 CovalentContact SG-SG 2.06Å; C413-C424 PolarHBondContact SG-SG 3.27Å; V422-C424 PolarHBondContact O-N 3.41Å; C424-N426 PolarHBondContact O-N 3.49Å; C424-V427 PolarHBondContact O-N 2.97Å
425G81.1Confident74.4Confident43 Ų4364.7 Ų64.744%0.44336%0.36SS..G310 helixtrans-61.3-22.917100000114.5K423K423-G425 PolarHBondContact O-N 3.33Å; K423-G425 VanDerWaalsContact O-N 3.16Å
426N81.6Confident74.5Confident127 Ų12765.9 Ų65.968%0.67937%0.366SS*.G310 helixtrans-93.2-7.2-178.6-64.6-9.8000113.4V422 K423 C424V422-N426 HydrophobicContact CG1-CB 4.34Å; K423-N426 WeakPolarHBondContact O-CB 3.38Å; K423-N426 PolarHBondContact O-N 3.06Å; C424-N426 PolarHBondContact O-N 3.49Å
427V80.7Confident74.3Confident8 Ų866.5 Ų66.55%0.04837%0.374CS..SBendtrans-88.3129.7179.1-1750000109V403 K406 C413 V422 C424 C429 F435V403-V427 HydrophobicContact CG2-CB 4Å; V403-V427 HydrophobicContact CG2-CG1 3.61Å; K406-V427 PolarHBondContact NZ-O 3.26Å; C413-V427 HydrophobicContact CB-CG2 4.33Å; V422-V427 HydrophobicContact CB-CG2 4.49Å; V422-V427 HydrophobicContact CG1-CG2 3.61Å; C424-V427 PolarHBondContact O-N 2.97Å; V427-C429 HydrophobicContact CG1-CB 4.11Å; V427-C429 PolarHBondContact O-N 3.16Å; V427-C429 VanDerWaalsContact O-N 3.17Å; V427-F435 HydrophobicContact CG1-CB 3.74Å; V427-F435 HydrophobicContact CG1-CD2 4.3Å; V427-F435 HydrophobicContact CG1-CG 4.22Å
428P84Confident74.4Confident77 Ų7768 Ų6850%0.537%0.369SS..SBendtrans-64.4-22.4-177.824.4-33.4000113.1K406 F435 T442K406-P428 PolarHBondContact NZ-O 2.75Å; P428-F435 HydrophobicContact CG-CD2 3.87Å; P428-F435 HydrophobicContact CG-CE2 4.02Å; P428-T442 HydrophobicContact CG-CG2 4.3Å
429C85.6Confident74.1Confident0 Ų071.4 Ų71.40%038%0.379CS..SBendtrans-75153.8-176.5-52.30000113.7V403 K406 V427 E433 F435 C444V403-C429 HydrophobicContact CG2-CB 3.97Å; K406-C429 PolarHBondContact NZ-O 3.12Å; V427-C429 HydrophobicContact CG1-CB 4.11Å; V427-C429 PolarHBondContact O-N 3.16Å; V427-C429 VanDerWaalsContact O-N 3.17Å; C429-E433 WeakPolarHBondContact CA-OE2 3.37Å; C429-E433 HydrophobicContact CB-CB 3.73Å; C429-E433 WeakPolarHBondContact CB-OE2 3.06Å; C429-F435 VanDerWaalsContact SG-CA 3.59Å; C429-C444 WeakPolarHBondContact CA-SG 3.16Å; C429-C444 HydrophobicContact CB-CB 3.77Å; C429-C444 WeakPolarHBondContact CB-SG 3.05Å; C429-C444 VanDerWaalsContact SG-CA 3.51Å; C429-C444 WeakPolarHBondContact SG-CB 3.23Å; C429-C444 CovalentContact SG-SG 2.05Å; C429-C444 PolarHBondContact SG-SG 3.37Å
430N88.1Confident73.9Confident91 Ų9172.1 Ų72.149%0.48739%0.393SS..PPolyproline II helixtrans-79.8165.2176.9-61.1-54.3000111.7V403 K432 E433V403-N430 WeakPolarHBondContact CB-O 3.42Å; N430-K432 PolarHBondContact O-N 3.02Å; N430-E433 HydrophobicContact CB-CG 4.39Å; N430-E433 PolarHBondContact N-OE2 2.81Å; N430-E433 PolarHBondContact ND2-OE1 2.78Å; N430-E433 VanDerWaalsContact ND2-OE1 3.13Å; N430-E433 WeakPolarHBondContact O-CB 3.37Å; N430-E433 PolarHBondContact O-N 3.45Å
431S86Confident73.4Confident54 Ų5470.1 Ų70.138%0.37839%0.392SS..THydrogen-bonded Turntrans-52.5131.7168.9-57.20000110.2K406K406-S431 PolarHBondContact N-OG 3.28Å
432K82.3Confident72.9Confident167 Ų16765.5 Ų65.573%0.72638%0.378SS*.THydrogen-bonded Turntrans77.214.7-174.2-47.9173.3-179.41770115.8V403 N430 S447V403-K432 PolarHBondContact O-N 2.96Å; N430-K432 PolarHBondContact O-N 3.02Å; K432-S447 VanDerWaalsContact C-OG 3.31Å; K432-S447 WeakPolarHBondContact O-CB 3.28Å; K432-S447 PolarHBondContact O-N 3.47Å; K432-S447 VanDerWaalsContact O-N 3.08Å; K432-S447 PolarHBondContact O-OG 3.41Å
433E85.6Confident72.9Confident51 Ų5170.1 Ų70.124%0.23840%0.397CS..EExtended strand (participates in β ladder)trans-108.3157.6168.8-67170.7-175.300110.6V403 C429 N430 C444 V445V403-E433 PolarHBondContact N-O 2.85Å; C429-E433 WeakPolarHBondContact CA-OE2 3.37Å; C429-E433 HydrophobicContact CB-CB 3.73Å; C429-E433 WeakPolarHBondContact CB-OE2 3.06Å; N430-E433 HydrophobicContact CB-CG 4.39Å; N430-E433 PolarHBondContact N-OE2 2.81Å; N430-E433 PolarHBondContact ND2-OE1 2.78Å; N430-E433 VanDerWaalsContact ND2-OE1 3.13Å; N430-E433 WeakPolarHBondContact O-CB 3.37Å; N430-E433 PolarHBondContact O-N 3.45Å; E433-C444 HydrophobicContact CB-CB 4.33Å; E433-C444 WeakPolarHBondContact OE2-CB 3.09Å; E433-V445 CarbonylContact C-O 3.52Å; E433-V445 WeakPolarHBondContact CA-O 3.44Å
434A79.3Confident72.9Confident0 Ų068.1 Ų68.10%040%0.395CS..EExtended strand (participates in β ladder)trans-111.5129.1170.700000109.5W400 C401 C444 V445W400-A434 HydrophobicContact CE3-CB 4.18Å; C401-A434 CarbonylContact O-C 3.6Å; C401-A434 VanDerWaalsContact O-CA 3.23Å; C401-A434 WeakPolarHBondContact O-CA 3.43Å; A434-C444 WeakPolarHBondContact O-CA 3.23Å; A434-V445 HydrophobicContact CB-CG2 3.88Å; A434-V445 PolarHBondContact N-O 2.84Å; A434-V445 PolarHBondContact O-N 2.76Å
435F77.6Confident72.8Confident40 Ų4070.6 Ų70.618%0.17541%0.41CS..EExtended strand (participates in β ladder)trans-74.8130.6168.7172.2-96.3000109.1W400 C401 V427 P428 C429 G437 T442W400-F435 CarbonylContact C-O 3.51Å; W400-F435 WeakPolarHBondContact CA-O 3.48Å; W400-F435 VanDerWaalsContact CB-O 3.28Å; W400-F435 WeakPolarHBondContact CB-O 3.42Å; C401-F435 HydrophobicContact CB-CB 4.24Å; C401-F435 HydrophobicContact CB-CD1 4.44Å; C401-F435 PolarHBondContact N-O 3.06Å; C401-F435 PolarHBondContact O-N 3.07Å; V427-F435 HydrophobicContact CG1-CB 3.74Å; V427-F435 HydrophobicContact CG1-CD2 4.3Å; V427-F435 HydrophobicContact CG1-CG 4.22Å; P428-F435 HydrophobicContact CG-CD2 3.87Å; P428-F435 HydrophobicContact CG-CE2 4.02Å; C429-F435 VanDerWaalsContact SG-CA 3.59Å; F435-G437 WeakPolarHBondContact CE1-O 3.43Å; F435-G437 VanDerWaalsContact CZ-O 3.23Å; F435-G437 WeakPolarHBondContact CZ-O 3.37Å; F435-T442 HydrophobicContact CD2-CG2 4.39Å; F435-T442 HydrophobicContact CE2-CG2 3.63Å; F435-T442 HydrophobicContact CZ-CG2 4.44Å
436V71Confident72.8Confident59 Ų5971.6 Ų71.636%0.35842%0.42SS..EExtended strand (participates in β ladder)trans-131.7125.7175.4-177.60000109.1W400 Q443 V445W400-V436 HydrophobicContact CB-CG2 4.02Å; V436-Q443 PolarHBondContact N-O 3.31Å; V436-Q443 VanDerWaalsContact N-O 3.16Å; V436-V445 HydrophobicContact CG2-CG1 4.43Å; V436-V445 HydrophobicContact CG2-CG2 3.64Å
437G60.4Low71.8Confident22 Ų2267.6 Ų67.623%0.22740%0.402CS..  trans114.8169174.800000115.4F435F435-G437 WeakPolarHBondContact CE1-O 3.43Å; F435-G437 VanDerWaalsContact CZ-O 3.23Å; F435-G437 WeakPolarHBondContact CZ-O 3.37Å
438F55Low70.6Confident141 Ų14171.9 Ų71.962%0.61842%0.424SS*.SBendtrans-128.2-1.5-173.3-138.1-105.3000114.3P397 F398P397-F438 HydrophobicContact CB-CB 3.89Å; P397-F438 HydrophobicContact CB-CD1 3.7Å; P397-F438 HydrophobicContact CB-CD2 3.04Å; P397-F438 HydrophobicContact CB-CE1 3.88Å; P397-F438 HydrophobicContact CB-CE2 3.26Å; P397-F438 HydrophobicContact CB-CG 3.26Å; P397-F438 HydrophobicContact CB-CZ 3.67Å; P397-F438 HydrophobicContact CG-CD2 4.44Å; P397-F438 HydrophobicContact CG-CG 4.4Å; F398-F438 HydrophobicContact CB-CE2 4.34Å; F398-F438 HydrophobicContact CD2-CE2 4.17Å; F398-F438 VanDerWaalsContact N-CE2 3.34Å
439D48Very low69.2Low106 Ų10675.1 Ų75.157%0.56744%0.436SS*.SBendtrans-129.8177.6-178.462.224.9000110.7S441 T442D439-S441 PolarHBondContact O-N 2.78Å; D439-S441 WeakPolarHBondContact OD1-CB 3.44Å; D439-S441 PolarHBondContact OD1-N 3Å; D439-S441 PolarHBondContact OD1-OG 2.72Å; D439-T442 PolarHBondContact O-N 2.92Å
440A39.8Very low67.3Low105 Ų10580.3 Ų80.387%0.86847%0.47SS*.THydrogen-bonded Turntrans-58.23.6-17500000115.8T442A440-T442 PolarHBondContact O-N 3.04Å
441S50Low65Low73 Ų7385.1 Ų85.151%0.5149%0.486SS..THydrogen-bonded Turntrans-86.325.5168.974.20000113.7D439 Q443D439-S441 PolarHBondContact O-N 2.78Å; D439-S441 WeakPolarHBondContact OD1-CB 3.44Å; D439-S441 PolarHBondContact OD1-N 3Å; D439-S441 PolarHBondContact OD1-OG 2.72Å; S441-Q443 PolarHBondContact O-N 3.04Å
442T58.1Low62.7Low78 Ų7888.1 Ų88.148%0.47951%0.505SS..  trans-38.6111.1176.619.50000113.2P428 F435 D439 A440P428-T442 HydrophobicContact CG-CG2 4.3Å; F435-T442 HydrophobicContact CD2-CG2 4.39Å; F435-T442 HydrophobicContact CE2-CG2 3.63Å; F435-T442 HydrophobicContact CZ-CG2 4.44Å; D439-T442 PolarHBondContact O-N 2.92Å; A440-T442 PolarHBondContact O-N 3.04Å
443Q72.3Confident60.5Low131 Ų13191.3 Ų91.361%0.61251%0.512SS*.EExtended strand (participates in β ladder)trans-117.3123.5171.2-74.1-177.810.800109.9V436 S441V436-Q443 PolarHBondContact N-O 3.31Å; V436-Q443 VanDerWaalsContact N-O 3.16Å; S441-Q443 PolarHBondContact O-N 3.04Å
444C82.8Confident58.3Low57 Ų5794.3 Ų94.339%0.38554%0.536SS..EExtended strand (participates in β ladder)trans-87.9117.8165-62.40000107.5C429 E433 A434C429-C444 WeakPolarHBondContact CA-SG 3.16Å; C429-C444 HydrophobicContact CB-CB 3.77Å; C429-C444 WeakPolarHBondContact CB-SG 3.05Å; C429-C444 VanDerWaalsContact SG-CA 3.51Å; C429-C444 WeakPolarHBondContact SG-CB 3.23Å; C429-C444 CovalentContact SG-SG 2.05Å; C429-C444 PolarHBondContact SG-SG 3.37Å; E433-C444 HydrophobicContact CB-CB 4.33Å; E433-C444 WeakPolarHBondContact OE2-CB 3.09Å; A434-C444 WeakPolarHBondContact O-CA 3.23Å
445V80.6Confident56.6Low53 Ų5399.4 Ų99.432%0.32157%0.569SS.*EExtended strand (participates in β ladder)trans-105.8154.4176.8-58.90000109.3E433 A434 V436 S447E433-V445 CarbonylContact C-O 3.52Å; E433-V445 WeakPolarHBondContact CA-O 3.44Å; A434-V445 HydrophobicContact CB-CG2 3.88Å; A434-V445 PolarHBondContact N-O 2.84Å; A434-V445 PolarHBondContact O-N 2.76Å; V436-V445 HydrophobicContact CG2-CG1 4.43Å; V436-V445 HydrophobicContact CG2-CG2 3.64Å; V445-S447 PolarHBondContact O-N 3.28Å
446G79.2Confident55Low63 Ų63103.5 Ų103.565%0.64960%0.599SS**EExtended strand (participates in β ladder)trans-54.5133.8171.700000109.8L448G446-L448 PolarHBondContact O-N 3.45Å
447S61.6Low54Low43 Ų43109.7 Ų109.730%0.30163%0.625SS.*  trans-49.4131.6-17535.40000111.7K432 V445 I449K432-S447 VanDerWaalsContact C-OG 3.31Å; K432-S447 WeakPolarHBondContact O-CB 3.28Å; K432-S447 PolarHBondContact O-N 3.47Å; K432-S447 VanDerWaalsContact O-N 3.08Å; K432-S447 PolarHBondContact O-OG 3.41Å; V445-S447 PolarHBondContact O-N 3.28Å; S447-I449 VanDerWaalsContact C-N 3.3Å; S447-I449 PolarHBondContact O-N 3.05Å
448L54.9Low53.1Low98 Ų98119.5 Ų119.551%0.51366%0.655SS.*  trans-67.293.8173.6-70.8170000107W400 G446 P450W400-L448 HydrophobicContact CD2-CD1 4.12Å; W400-L448 HydrophobicContact CE3-CD1 3.9Å; W400-L448 HydrophobicContact CH2-CB 4.42Å; W400-L448 HydrophobicContact CH2-CD1 4.36Å; W400-L448 HydrophobicContact CZ3-CB 3.99Å; W400-L448 HydrophobicContact CZ3-CD1 3.95Å; W400-L448 HydrophobicContact CZ3-CG 4.44Å; G446-L448 PolarHBondContact O-N 3.45Å; L448-P450 WeakPolarHBondContact O-CD 3.24Å
449I54.3Low52.8Low145 Ų145118.7 Ų118.774%0.74466%0.664SS**  trans-56.2110.7171.9-58.9173.3000105.8S447 K451S447-I449 VanDerWaalsContact C-N 3.3Å; S447-I449 PolarHBondContact O-N 3.05Å; I449-K451 PolarHBondContact O-N 3.2Å
450P47.4Very low52.7Low109 Ų109121.6 Ų121.671%0.70867%0.674SS**PPolyproline II helixtrans-59.2119.3175.224.5-32000106.4L448L448-P450 WeakPolarHBondContact O-CD 3.24Å
451K39.1Very low52.7Low193 Ų193127.9 Ų127.984%0.83968%0.675SS**PPolyproline II helixtrans-50.6129.8176.2-78.3-176.9178178.10107.4I449 R453I449-K451 PolarHBondContact O-N 3.2Å; K451-R453 PolarHBondContact O-N 3.03Å; K451-R453 VanDerWaalsContact O-N 3.11Å
452P38.3Very low52.6Low117 Ų117130.6 Ų130.676%0.7668%0.683SS**PPolyproline II helixtrans-52.7126.1176.119.5-29.5000107.9
453R36.1Very low51.8Low234 Ų234133.3 Ų133.388%0.88370%0.699SS**PPolyproline II helixtrans-53.8127.5174.1-89.8-174.9-170.41734.8106.9K451K451-R453 PolarHBondContact O-N 3.03Å; K451-R453 VanDerWaalsContact O-N 3.11Å
454P39.8Very low50.6Low113 Ų113135.2 Ų135.273%0.73471%0.706SS**PPolyproline II helixtrans-54.9135.5169.722.4-30000107.6
455P42.3Very low48.6Very low108 Ų108142.8 Ų142.870%0.70173%0.732SS**PPolyproline II helixtrans-54.8144175.722.8-31.1000108.6E457P455-E457 PolarHBondContact O-N 3.02Å
456P44.7Very low46.9Very low125 Ų125148.4 Ų148.481%0.81276%0.755SS**PPolyproline II helixtrans-53.1121176.721.6-31.1000108.4R458P456-R458 PolarHBondContact O-N 2.97Å
457E49.5Very low45.3Very low190 Ų190155.4 Ų155.489%0.88877%0.767SS**  trans-53.8113.5176-86.2180158.400107.9P455P455-E457 PolarHBondContact O-N 3.02Å
458R41.8Very low44.2Very low228 Ų228156.9 Ų156.986%0.8679%0.789SS**  trans-58.1131.9165.2-91.2-176.6-176.8174.52.2106.4P456 E460P456-R458 PolarHBondContact O-N 2.97Å; R458-E460 PolarHBondContact O-N 3.12Å
459P47.5Very low44.2Very low124 Ų124160.2 Ų160.281%0.80580%0.795SS**  trans-61.8104.4175.4-1325.3000108.4R461P459-R461 PolarHBondContact O-N 3.46Å; P459-R461 VanDerWaalsContact O-N 3.14Å
460E46.4Very low44.4Very low167 Ų167157 Ų15778%0.7879%0.786SS**  trans-63.1115.2166.4-94.7-172.7160.200107.3R458 L462R458-E460 PolarHBondContact O-N 3.12Å; E460-L462 PolarHBondContact O-N 2.95Å
461R40.8Very low44.8Very low237 Ų237161.1 Ų161.189%0.89479%0.792SS**  trans-64.383.2167.3-75.1-178.6179.7176.3-0.2108.5P459 V463P459-R461 PolarHBondContact O-N 3.46Å; P459-R461 VanDerWaalsContact O-N 3.14Å; R461-V463 PolarHBondContact O-N 3.13Å
462L47.1Very low45.5Very low130 Ų130153.2 Ų153.268%0.68176%0.763SS**  trans-87.290.4165.9-80170.2000109.3E460 K464E460-L462 PolarHBondContact O-N 2.95Å; L462-K464 VanDerWaalsContact C-N 3.34Å; L462-K464 PolarHBondContact O-N 2.82Å
463V40.8Very low46.2Very low135 Ų135149 Ų14982%0.81874%0.738SS**  trans-63.694.9157.7178.50000107.3R461R461-V463 PolarHBondContact O-N 3.13Å
464K47.8Very low47.1Very low170 Ų170146 Ų14674%0.73973%0.726SS**  trans-127.3117.9161.2-87.4-174.7176.7177.20109.5L462 E466L462-K464 VanDerWaalsContact C-N 3.34Å; L462-K464 PolarHBondContact O-N 2.82Å; K464-E466 PolarHBondContact O-N 2.84Å
465K40.5Very low47.6Very low216 Ų216144 Ų14494%0.93972%0.715SS**  trans-6494.3169.7-77.8177.3172.8177.30108.7
466E45Very low48.1Very low172 Ų172140.4 Ų140.480%0.80469%0.691SS**  trans-101.7130.6162.6-73.9-170.4164.300109.4K464 G468K464-E466 PolarHBondContact O-N 2.84Å; E466-G468 PolarHBondContact O-N 2.99Å; E466-G468 VanDerWaalsContact O-N 3.11Å
467K45.7Very low48.5Very low209 Ų209137.8 Ų137.891%0.90967%0.667SS**  trans-54.5115.3-180-75.6177.9173.3-178.70109.1W469K467-W469 PolarHBondContact O-N 3.16Å
468G39.4Very low48.6Very low74 Ų74132.2 Ų132.276%0.76365%0.654SS**PPolyproline II helixtrans-62.9125.1-169.900000112.9E466E466-G468 PolarHBondContact O-N 2.99Å; E466-G468 VanDerWaalsContact O-N 3.11Å
469W54.4Low49.1Very low169 Ų169126.3 Ų126.364%0.6464%0.643SS**PPolyproline II helixtrans-64.4136.9162.1-77.610.1000110.3K467 F477K467-W469 PolarHBondContact O-N 3.16Å; W469-F477 HydrophobicContact CE3-CD2 4.4Å; W469-F477 HydrophobicContact CE3-CE2 4.2Å; W469-F477 AromaticContact CH2-CE2 3.96Å; W469-F477 HydrophobicContact CH2-CE2 3.96Å; W469-F477 HydrophobicContact CH2-CZ 4.32Å; W469-F477 AromaticContact CZ3-CD2 3.79Å; W469-F477 HydrophobicContact CZ3-CD2 3.79Å; W469-F477 AromaticContact CZ3-CE2 3.5Å; W469-F477 HydrophobicContact CZ3-CE2 3.5Å; W469-F477 VanDerWaalsContact CZ3-CE2 3.5Å; W469-F477 HydrophobicContact CZ3-CZ 4.27Å
470S58.6Low49.2Very low77 Ų77121.3 Ų121.354%0.53861%0.612SS.*PPolyproline II helixtrans-60.8148.8175.176.40000110.5A472 A473S470-A472 PolarHBondContact O-N 3.24Å; S470-A472 VanDerWaalsContact O-N 3.13Å; S470-A473 PolarHBondContact O-N 2.88Å; S470-A473 VanDerWaalsContact O-N 3.12Å
471K55.8Low49.5Very low195 Ų195116.2 Ų116.285%0.84860%0.599SS**Hα-helixtrans-56-28.8178-78.1-179.3176.51780112.5R474 S475K471-R474 PolarHBondContact O-N 3.11Å; K471-S475 PolarHBondContact O-N 3.31Å
472A54Low50Low27 Ų27107.7 Ų107.722%0.22359%0.585CS.*Hα-helixtrans-62.7-46.1177.200000111.8S470 R474 S475 V476S470-A472 PolarHBondContact O-N 3.24Å; S470-A472 VanDerWaalsContact O-N 3.13Å; A472-R474 VanDerWaalsContact C-N 3.32Å; A472-R474 PolarHBondContact O-N 3.31Å; A472-S475 PolarHBondContact O-N 3.3Å; A472-S475 VanDerWaalsContact O-N 3.17Å; A472-S475 PolarHBondContact O-OG 3Å; A472-V476 PolarHBondContact O-N 2.04Å
473A51.5Low50.4Low28 Ų28103.7 Ų103.723%0.23157%0.567CS.*Hα-helixtrans-58.1-43.7178.300000111.6S470 S475 V476 F477S470-A473 PolarHBondContact O-N 2.88Å; S470-A473 VanDerWaalsContact O-N 3.12Å; A473-S475 VanDerWaalsContact C-N 3.31Å; A473-S475 PolarHBondContact O-N 2.94Å; A473-V476 PolarHBondContact O-N 3.32Å; A473-F477 HydrophobicContact CB-CE2 4.45Å; A473-F477 WeakPolarHBondContact O-CD2 3.26Å; A473-F477 PolarHBondContact O-N 3.43Å
474R54.9Low51.3Low171 Ų17198.6 Ų98.665%0.64554%0.535SS*.Hα-helixtrans-62.8-34.6179.7-67.6-175.8-178-179-0.2113.4K471 A472 A478K471-R474 PolarHBondContact O-N 3.11Å; A472-R474 VanDerWaalsContact C-N 3.32Å; A472-R474 PolarHBondContact O-N 3.31Å; R474-A478 PolarHBondContact O-N 2.86Å
475S50.7Low52.1Low71 Ų7192.4 Ų92.450%0.49752%0.519SS..Hα-helixtrans-72-40.5179.175.10000112.6K471 A472 A473 F477 A478 T479K471-S475 PolarHBondContact O-N 3.31Å; A472-S475 PolarHBondContact O-N 3.3Å; A472-S475 VanDerWaalsContact O-N 3.17Å; A472-S475 PolarHBondContact O-OG 3Å; A473-S475 VanDerWaalsContact C-N 3.31Å; A473-S475 PolarHBondContact O-N 2.94Å; S475-F477 VanDerWaalsContact C-N 3.29Å; S475-F477 PolarHBondContact O-N 3.15Å; S475-A478 PolarHBondContact O-N 2.86Å; S475-T479 PolarHBondContact O-OG1 2.83Å
476V53.8Low53.1Low34 Ų3484.1 Ų84.121%0.20649%0.491CS..Hα-helixtrans-62.2-37.9178.2170.90000111.3A81 A472 A473 T479 A480A81-V476 HydrophobicContact CB-CG1 3.8Å; A472-V476 PolarHBondContact O-N 2.04Å; A473-V476 PolarHBondContact O-N 3.32Å; V476-T479 PolarHBondContact O-OG1 2.84Å; V476-A480 PolarHBondContact O-N 3.29Å
477F53.4Low54Low70 Ų7077 Ų7731%0.30746%0.459SS..Hα-helixtrans-70.2-30.6178.7-76.8-64000114E122 W469 A473 S475 A480E122-F477 VanDerWaalsContact OE1-CD1 3.24Å; E122-F477 WeakPolarHBondContact OE1-CD1 3.2Å; W469-F477 HydrophobicContact CE3-CD2 4.4Å; W469-F477 HydrophobicContact CE3-CE2 4.2Å; W469-F477 AromaticContact CH2-CE2 3.96Å; W469-F477 HydrophobicContact CH2-CE2 3.96Å; W469-F477 HydrophobicContact CH2-CZ 4.32Å; W469-F477 AromaticContact CZ3-CD2 3.79Å; W469-F477 HydrophobicContact CZ3-CD2 3.79Å; W469-F477 AromaticContact CZ3-CE2 3.5Å; W469-F477 HydrophobicContact CZ3-CE2 3.5Å; W469-F477 VanDerWaalsContact CZ3-CE2 3.5Å; W469-F477 HydrophobicContact CZ3-CZ 4.27Å; A473-F477 HydrophobicContact CB-CE2 4.45Å; A473-F477 WeakPolarHBondContact O-CD2 3.26Å; A473-F477 PolarHBondContact O-N 3.43Å; S475-F477 VanDerWaalsContact C-N 3.29Å; S475-F477 PolarHBondContact O-N 3.15Å; F477-A480 PolarHBondContact O-N 2.75Å
478A50.9Low55Low73 Ų7368.6 Ų68.660%0.60343%0.429SS*.Hα-helixtrans-68.5-40.5179.100000112.1R474 S475 A480 A481R474-A478 PolarHBondContact O-N 2.86Å; S475-A478 PolarHBondContact O-N 2.86Å; A478-A480 VanDerWaalsContact C-N 3.3Å; A478-A480 PolarHBondContact O-N 3.16Å; A478-A481 PolarHBondContact O-N 2.87Å
479T51.5Low56.3Low104 Ų10467.5 Ų67.564%0.63841%0.405SS*.Hα-helixtrans-69.6-24.3175.6370000113.5S475 V476S475-T479 PolarHBondContact O-OG1 2.83Å; V476-T479 PolarHBondContact O-OG1 2.84Å
480A50.4Low56.8Low19 Ų1961.1 Ų61.116%0.15738%0.383CS..Hα-helixtrans-71.9-30177.900000113V476 F477 A478 G482V476-A480 PolarHBondContact O-N 3.29Å; F477-A480 PolarHBondContact O-N 2.75Å; A478-A480 VanDerWaalsContact C-N 3.3Å; A478-A480 PolarHBondContact O-N 3.16Å; A480-G482 PolarHBondContact O-N 3.31Å
481A51.9Low57.2Low60 Ų6058.4 Ų58.450%0.49636%0.362SS..Hα-helixtrans-67.6-33.3-173.500000114.2A478A478-A481 PolarHBondContact O-N 2.87Å
482G52.6Low57.7Low58 Ų5854 Ų5460%0.59835%0.347SS*.Hα-helixtrans-63.6-46.9-177.600000113.9A480 L484 G485A480-G482 PolarHBondContact O-N 3.31Å; G482-L484 VanDerWaalsContact C-N 3.33Å; G482-L484 PolarHBondContact O-N 2.57Å; G482-G485 PolarHBondContact O-N 3.28Å
483C55.9Low58.2Low45 Ų4556.4 Ų56.430%0.30436%0.356SS..Hα-helixtrans-73.3-23.3-177.6-50.80000113.6L41 K77 G485 A486 V487L41-C483 HydrophobicContact CD1-CB 4.5Å; K77-C483 PolarHBondContact NZ-SG 2.85Å; C483-G485 PolarHBondContact O-N 3.06Å; C483-A486 PolarHBondContact O-N 2.9Å; C483-V487 PolarHBondContact O-N 3.13Å
484L58Low58.8Low29 Ų2955.7 Ų55.715%0.15235%0.348CS..Hα-helixtrans-66.7-27.1174.5-73.5173.2000111.8L74 E122 G482 A488L74-L484 HydrophobicContact CD1-CD2 4.15Å; E122-L484 HydrophobicContact CB-CD1 3.97Å; E122-L484 HydrophobicContact CG-CD1 3.75Å; G482-L484 VanDerWaalsContact C-N 3.33Å; G482-L484 PolarHBondContact O-N 2.57Å; L484-A488 WeakPolarHBondContact O-CB 3.41Å; L484-A488 PolarHBondContact O-N 3.25Å
485G64.5Low59Low39 Ų3950 Ų5040%0.40233%0.33SS..Hα-helixtrans-61.6-44.3170.200000111.9G482 C483 L489G482-G485 PolarHBondContact O-N 3.28Å; C483-G485 PolarHBondContact O-N 3.06Å; G485-L489 WeakPolarHBondContact O-CB 3.38Å; G485-L489 PolarHBondContact O-N 2.06Å
486A62.2Low59.6Low42 Ų4250.4 Ų50.435%0.34733%0.329SS..Hα-helixtrans-67.9-45.6178.400000112.3C483 A488 L489 I490C483-A486 PolarHBondContact O-N 2.9Å; A486-A488 PolarHBondContact O-N 2.85Å; A486-L489 WeakPolarHBondContact O-CB 3.26Å; A486-L489 PolarHBondContact O-N 2.9Å; A486-I490 VanDerWaalsContact O-CG1 3.27Å; A486-I490 WeakPolarHBondContact O-CG1 3.22Å; A486-I490 PolarHBondContact O-N 3.16Å
487V64.4Low60Low23 Ų2351.8 Ų51.814%0.13934%0.341CS..Hα-helixtrans-63-42.8176.9176.20000111V44 L70 C483 L489 I490 I491V44-V487 HydrophobicContact CG1-CG2 4.4Å; L70-V487 HydrophobicContact CD2-CG1 4.15Å; C483-V487 PolarHBondContact O-N 3.13Å; V487-L489 VanDerWaalsContact C-N 3.34Å; V487-L489 PolarHBondContact O-N 3.47Å; V487-I490 PolarHBondContact O-N 2.97Å; V487-I491 HydrophobicContact CG1-CD1 3.79Å; V487-I491 HydrophobicContact CG1-CG1 4.36Å; V487-I491 WeakPolarHBondContact O-CG1 3.47Å; V487-I491 PolarHBondContact O-N 2.75Å
488A67.2Low60.1Low33 Ų3351.2 Ų51.227%0.27335%0.354SS..Hα-helixtrans-63.5-38.517600000112.5L484 A486 L492L484-A488 WeakPolarHBondContact O-CB 3.41Å; L484-A488 PolarHBondContact O-N 3.25Å; A486-A488 PolarHBondContact O-N 2.85Å; A488-L492 WeakPolarHBondContact O-CB 3.02Å; A488-L492 PolarHBondContact O-N 2.61Å
489L65.1Low60.3Low51 Ų5152.9 Ų52.927%0.26736%0.36SS..Hα-helixtrans-64.5-47.2175.2-168.591.3000111.2G485 A486 V487 I491 L492 I493G485-L489 WeakPolarHBondContact O-CB 3.38Å; G485-L489 PolarHBondContact O-N 2.06Å; A486-L489 WeakPolarHBondContact O-CB 3.26Å; A486-L489 PolarHBondContact O-N 2.9Å; V487-L489 VanDerWaalsContact C-N 3.34Å; V487-L489 PolarHBondContact O-N 3.47Å; L489-I491 PolarHBondContact O-N 3.02Å; L489-L492 WeakPolarHBondContact O-CB 3.05Å; L489-L492 PolarHBondContact O-N 2.81Å; L489-L492 VanDerWaalsContact O-N 3.16Å; L489-I493 HydrophobicContact CD2-CD1 4.29Å; L489-I493 HydrophobicContact CG-CD1 4.26Å; L489-I493 WeakPolarHBondContact O-CG1 3.34Å; L489-I493 PolarHBondContact O-N 3.3Å
490I65.6Low60.2Low35 Ų3554.1 Ų54.118%0.17936%0.357CS..Hα-helixtrans-59.2-49.8178.2-68.9166.4000109.8Q45 C48 A486 V487 L492 I493 I494Q45-I490 HydrophobicContact CB-CD1 4.41Å; Q45-I490 HydrophobicContact CG-CD1 4.28Å; C48-I490 HydrophobicContact CB-CG2 3.3Å; A486-I490 VanDerWaalsContact O-CG1 3.27Å; A486-I490 WeakPolarHBondContact O-CG1 3.22Å; A486-I490 PolarHBondContact O-N 3.16Å; V487-I490 PolarHBondContact O-N 2.97Å; I490-L492 VanDerWaalsContact C-N 3.25Å; I490-L492 PolarHBondContact O-N 2.05Å; I490-I493 WeakPolarHBondContact O-CB 3.49Å; I490-I493 PolarHBondContact O-N 3.42Å; I490-I494 HydrophobicContact CG2-CD1 4.42Å; I490-I494 HydrophobicContact CG2-CG1 4.38Å; I490-I494 WeakPolarHBondContact O-CG1 3.48Å; I490-I494 PolarHBondContact O-N 2.91Å
491I66.5Low60.2Low19 Ų1956.9 Ų56.910%0.09739%0.387CS..Hα-helixtrans-57.2-41177.3-64.1164.5000111L70 F126 M133 V487 L489 I493 I494 I495L70-I491 HydrophobicContact CD1-CD1 4.02Å; L70-I491 HydrophobicContact CD1-CG1 4.32Å; F126-I491 HydrophobicContact CE2-CD1 4.19Å; M133-I491 HydrophobicContact CE-CB 4.14Å; M133-I491 HydrophobicContact CE-CG2 3.53Å; M133-I491 HydrophobicContact SD-CB 4.45Å; M133-I491 HydrophobicContact SD-CG2 3.32Å; M133-I491 WeakPolarHBondContact SD-CG2 3.34Å; V487-I491 HydrophobicContact CG1-CD1 3.79Å; V487-I491 HydrophobicContact CG1-CG1 4.36Å; V487-I491 WeakPolarHBondContact O-CG1 3.47Å; V487-I491 PolarHBondContact O-N 2.75Å; L489-I491 PolarHBondContact O-N 3.02Å; I491-I493 VanDerWaalsContact C-N 3.34Å; I491-I493 PolarHBondContact O-N 3.32Å; I491-I494 PolarHBondContact O-N 3.26Å; I491-I495 HydrophobicContact CG2-CD1 3.88Å; I491-I495 WeakPolarHBondContact O-CG1 3.36Å; I491-I495 PolarHBondContact O-N 2.71Å; I491-I495 VanDerWaalsContact O-N 3.13Å
492L66.3Low59.9Low102 Ų10263 Ų6353%0.53440%0.402SS..Hα-helixtrans-64.7-38178.2-156.6139000111.7A488 L489 I490 I495 V496A488-L492 WeakPolarHBondContact O-CB 3.02Å; A488-L492 PolarHBondContact O-N 2.61Å; L489-L492 WeakPolarHBondContact O-CB 3.05Å; L489-L492 PolarHBondContact O-N 2.81Å; L489-L492 VanDerWaalsContact O-N 3.16Å; I490-L492 VanDerWaalsContact C-N 3.25Å; I490-L492 PolarHBondContact O-N 2.05Å; L492-I495 PolarHBondContact O-N 3.03Å; L492-V496 HydrophobicContact CD2-CG2 4.44Å; L492-V496 VanDerWaalsContact O-CG2 3.29Å; L492-V496 WeakPolarHBondContact O-CG2 3.39Å; L492-V496 PolarHBondContact O-N 3.08Å; L492-V496 VanDerWaalsContact O-N 3.14Å
493I65.4Low59.3Low79 Ų7966.7 Ų66.741%0.40541%0.413SS..Hα-helixtrans-64.4-45.8173.1-66164.8000111L489 I490 I491 I495 V496 S497L489-I493 HydrophobicContact CD2-CD1 4.29Å; L489-I493 HydrophobicContact CG-CD1 4.26Å; L489-I493 WeakPolarHBondContact O-CG1 3.34Å; L489-I493 PolarHBondContact O-N 3.3Å; I490-I493 WeakPolarHBondContact O-CB 3.49Å; I490-I493 PolarHBondContact O-N 3.42Å; I491-I493 VanDerWaalsContact C-N 3.34Å; I491-I493 PolarHBondContact O-N 3.32Å; I493-I495 VanDerWaalsContact C-N 3.26Å; I493-I495 PolarHBondContact O-N 3.24Å; I493-V496 PolarHBondContact O-N 3.08Å; I493-S497 PolarHBondContact O-N 3.03Å; I493-S497 PolarHBondContact O-OG 2.85Å
494I63.2Low58.3Low12 Ų1269.7 Ų69.76%0.06243%0.434CS..Hα-helixtrans-55.1-44.9177.8-48.5-158.3000110.8C48 V52 L66 I490 I491 S497 G498C48-I494 HydrophobicContact CB-CD1 3.71Å; C48-I494 WeakPolarHBondContact O-CD1 3.41Å; V52-I494 HydrophobicContact CG2-CB 3.76Å; V52-I494 HydrophobicContact CG2-CD1 3.76Å; V52-I494 HydrophobicContact CG2-CG1 3.35Å; V52-I494 HydrophobicContact CG2-CG2 3.82Å; L66-I494 HydrophobicContact CD2-CD1 4.18Å; I490-I494 HydrophobicContact CG2-CD1 4.42Å; I490-I494 HydrophobicContact CG2-CG1 4.38Å; I490-I494 WeakPolarHBondContact O-CG1 3.48Å; I490-I494 PolarHBondContact O-N 2.91Å; I491-I494 PolarHBondContact O-N 3.26Å; I494-S497 PolarHBondContact O-N 3.29Å; I494-G498 PolarHBondContact O-N 3.39Å
495I60.1Low57.1Low52 Ų5276.4 Ų76.427%0.26747%0.469SS..Hα-helixtrans-68.4-43.8-176.2-66.7166.7000111M133 I491 L492 I493 S497 G498 C499M133-I495 HydrophobicContact CB-CD1 3.89Å; M133-I495 HydrophobicContact CE-CD1 4.19Å; M133-I495 HydrophobicContact CG-CD1 3.64Å; M133-I495 HydrophobicContact SD-CD1 3.7Å; I491-I495 HydrophobicContact CG2-CD1 3.88Å; I491-I495 WeakPolarHBondContact O-CG1 3.36Å; I491-I495 PolarHBondContact O-N 2.71Å; I491-I495 VanDerWaalsContact O-N 3.13Å; L492-I495 PolarHBondContact O-N 3.03Å; I493-I495 VanDerWaalsContact C-N 3.26Å; I493-I495 PolarHBondContact O-N 3.24Å; I495-S497 PolarHBondContact O-N 3.37Å; I495-G498 PolarHBondContact O-N 3.32Å; I495-C499 PolarHBondContact O-N 3.1Å; I495-C499 PolarHBondContact O-SG 3.17Å
496V62.3Low55.6Low80 Ų8080.4 Ų80.449%0.48549%0.486SS..Hα-helixtrans-60.3-35.2176.8173.30000110.8L492 I493L492-V496 HydrophobicContact CD2-CG2 4.44Å; L492-V496 VanDerWaalsContact O-CG2 3.29Å; L492-V496 WeakPolarHBondContact O-CG2 3.39Å; L492-V496 PolarHBondContact O-N 3.08Å; L492-V496 VanDerWaalsContact O-N 3.14Å; I493-V496 PolarHBondContact O-N 3.08Å
497S61.9Low54.1Low63 Ų6383.9 Ų83.944%0.44150%0.503SS..Hα-helixtrans-81.3-32.8177.4-55.40000114.4I493 I494 I495I493-S497 PolarHBondContact O-N 3.03Å; I493-S497 PolarHBondContact O-OG 2.85Å; I494-S497 PolarHBondContact O-N 3.29Å; I495-S497 PolarHBondContact O-N 3.37Å
498G56.5Low52.6Low57 Ų5788.4 Ų88.459%0.58853%0.531SS*.Hα-helixtrans-82.8-18.8-171.700000116I494 I495 K500I494-G498 PolarHBondContact O-N 3.39Å; I495-G498 PolarHBondContact O-N 3.32Å; G498-K500 PolarHBondContact O-N 2.76Å
499C54.5Low51Low108 Ų10893.6 Ų93.673%0.7355%0.553SS**THydrogen-bonded Turntrans-72.13.1-178-75.10000115I495I495-C499 PolarHBondContact O-N 3.1Å; I495-C499 PolarHBondContact O-SG 3.17Å
500K50.9Low49.3Very low131 Ų131101.4 Ų101.457%0.5759%0.585SS**THydrogen-bonded Turntrans-93.70-174.1-78.5-165.6159.5-153.10116.7D147 G498 K502D147-K500 WeakPolarHBondContact OD1-CD 3.35Å; D147-K500 WeakPolarHBondContact OD1-CE 3.2Å; D147-K500 IonicContact OD1-NZ 2.63Å; D147-K500 PolarHBondContact OD1-NZ 3.46Å; D147-K500 IonicContact OD2-NZ 2.66Å; D147-K500 PolarHBondContact OD2-NZ 3.41Å; G498-K500 PolarHBondContact O-N 2.76Å; K500-K502 PolarHBondContact O-N 3.13Å
501G48.9Very low47.7Very low76 Ų76108.5 Ų108.578%0.78461%0.614SS**  trans-82.72-172.200000117.9
502K45.5Very low45.8Very low188 Ų188117.1 Ų117.182%0.81765%0.651SS**  trans-12052.7-174.5-71.4-174.5-179173.10113.8K500K500-K502 PolarHBondContact O-N 3.13Å
503V40.6Very low44.3Very low136 Ų136122.7 Ų122.782%0.82469%0.689SS**SBendtrans-141.9111164.2-1740000110.4
504S35.4Very low43.3Very low108 Ų108124.9 Ų124.976%0.75570%0.703SS**  trans70.889162.6-159.60000119.3
505L32.9Very low42.2Very low170 Ų170130.8 Ų130.889%0.8974%0.736SS**  trans-148.780.7139.6-148.889.8000110.6
506V32.6Very low41.2Very low124 Ų124135.2 Ų135.275%0.75276%0.763SS**  trans-76.2120.4164.7168.10000107.5
507T31.1Very low40Very low114 Ų114138.4 Ų138.470%0.69978%0.779SS**  trans58121164.8440000115.3
508T33Very low38.6Very low119 Ų119143.1 Ų143.173%0.7380%0.8SS**  -177.1149.279.9-47.20000108.1
509I33.5Very low37.5Very low142 Ų142148.9 Ų148.973%0.72881%0.814SS**  trans89.383.8157.9-40.5-178.8000117.6
510F29.1Very low36.2Very low215 Ų215151.8 Ų151.894%0.94382%0.82SS**  trans-85.6111.7138.7-107.5-90.3000108.2
511K31Very low35.1Very low183 Ų183153.4 Ų153.480%0.79684%0.839SS**  trans-176118.7150.9-107.8170.6-176.5177.50111.5
512K27.4Very low34Very low201 Ų201159.8 Ų159.887%0.87484%0.844SS**  trans70105.1158.6-65.1-179.6170.9-175.30117.4
513V35.4Very low32.9Very low218 Ų218157.3 Ų157.3100%1.32185%0.847SS**  -151.2082.6163.80000107.8

Retrieved 513 of 513 residues in 1115.7 ms (Link to these results)

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