A0A077ZJT1_TRITR Loading...

Purine nucleoside phosphorylase

The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A077ZJT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 291 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low48.7Very low244 Ų244118.1 Ų118.1100%1.20265%0.648SS**  085.10-81.1-174.8-99.800108.4S3M1-S3 PolarHBondContact O-N 3.22Å
2T35.1Very low52.6Low143 Ų143115.4 Ų115.488%0.87763%0.628SS**  trans-77.2101.1163.526.30000106.3C4T2-C4 VanDerWaalsContact C-N 3.3Å; T2-C4 PolarHBondContact O-N 3.42Å
3S35.4Very low55.8Low98 Ų98108.6 Ų108.669%0.68559%0.592SS**  trans-6493.2173.160.50000107.9M1 V5M1-S3 PolarHBondContact O-N 3.22Å; S3-V5 PolarHBondContact O-N 2.85Å
4C38.8Very low58.7Low120 Ų120100.9 Ų100.981%0.81155%0.55SS*.  trans-73.369.5166.1-162.60000107.7T2T2-C4 VanDerWaalsContact C-N 3.3Å; T2-C4 PolarHBondContact O-N 3.42Å
5V34.8Very low61.3Low101 Ų10198.4 Ų98.461%0.61253%0.533SS*.  trans-10877.2167.5-123.80000105.2S3 S7S3-V5 PolarHBondContact O-N 2.85Å; V5-S7 PolarHBondContact O-N 3.14Å
6Y38.8Very low63.6Low212 Ų21295.6 Ų95.683%0.83153%0.527SS*.  trans-71.883.1144.1-71.9-71000105F8Y6-F8 PolarHBondContact O-N 3.19Å
7S41Very low65.6Low94 Ų9490.1 Ų90.166%0.65750%0.497SS*.  trans-83.314.6-174.886.50000113V5 S9V5-S7 PolarHBondContact O-N 3.14Å; S7-S9 PolarHBondContact O-N 3.21Å
8F45.6Very low67.3Low143 Ų14385.1 Ų85.163%0.62747%0.469SS*.SBendtrans-80.8118.5163.2-64.6-73.5000106.5Y6 D10 T13Y6-F8 PolarHBondContact O-N 3.19Å; F8-D10 PolarHBondContact O-N 3.46Å; F8-T13 VanDerWaalsContact CB-OG1 3.27Å; F8-T13 WeakPolarHBondContact CB-OG1 3.49Å
9S58.3Low69Low50 Ų5085.2 Ų85.235%0.3547%0.466SS..  trans-57.2141167.672.20000107.9S7 F11 E12 T13S7-S9 PolarHBondContact O-N 3.21Å; S9-F11 PolarHBondContact O-N 3.3Å; S9-E12 PolarHBondContact O-N 2.95Å; S9-E12 PolarHBondContact OG-N 3.47Å; S9-T13 PolarHBondContact O-N 3.26Å
10D80.4Confident70.4Confident69 Ų6984.3 Ų84.337%0.36946%0.457SS..Hα-helixtrans-47.1-29.4177.8-69.2-14.7000112.1F8 A14F8-D10 PolarHBondContact O-N 3.46Å; D10-A14 WeakPolarHBondContact O-CB 3.45Å; D10-A14 PolarHBondContact O-N 3.39Å; D10-A14 VanDerWaalsContact O-N 3.13Å
11F93.5Very high71.7Confident25 Ų2580.3 Ų80.311%0.1144%0.436CS..Hα-helixtrans-67.8-51.4175.8-170.7-86.9000114.2S9 T13 A14 H15 L109 E156 R158 F159S9-F11 PolarHBondContact O-N 3.3Å; F11-T13 VanDerWaalsContact C-N 3.29Å; F11-T13 PolarHBondContact O-N 3.31Å; F11-A14 PolarHBondContact O-N 2.89Å; F11-H15 HydrophobicContact CD1-CB 4.18Å; F11-H15 HydrophobicContact CE1-CB 3.95Å; F11-H15 WeakPolarHBondContact O-CB 3.5Å; F11-H15 PolarHBondContact O-N 3.05Å; F11-L109 HydrophobicContact CE2-CD2 3.88Å; F11-L109 HydrophobicContact CZ-CD2 4.14Å; F11-E156 HydrophobicContact CB-CG 3.91Å; F11-E156 WeakPolarHBondContact CB-OE2 3.47Å; F11-E156 HydrophobicContact CD2-CG 4.15Å; F11-E156 HydrophobicContact CG-CG 4.46Å; F11-R158 HydrophobicContact CD2-CB 3.71Å; F11-R158 HydrophobicContact CD2-CG 4.46Å; F11-R158 VanDerWaalsContact CE1-NH1 3.26Å; F11-R158 HydrophobicContact CE2-CB 3.51Å; F11-R158 HydrophobicContact CE2-CG 4.21Å; F11-R158 HydrophobicContact CZ-CB 4.34Å; F11-F159 HydrophobicContact CB-CE2 4.06Å; F11-F159 HydrophobicContact CB-CZ 4.37Å; F11-F159 HydrophobicContact CD2-CD2 4.41Å; F11-F159 HydrophobicContact CD2-CE1 4.1Å; F11-F159 AromaticContact CD2-CE2 3.8Å; F11-F159 HydrophobicContact CD2-CE2 3.8Å; F11-F159 AromaticContact CD2-CZ 3.6Å; F11-F159 HydrophobicContact CD2-CZ 3.6Å; F11-F159 HydrophobicContact CE2-CE1 4.39Å; F11-F159 HydrophobicContact CE2-CZ 4.29Å; F11-F159 HydrophobicContact CG-CE2 4.39Å; F11-F159 HydrophobicContact CG-CZ 4.32Å
12E94.9Very high74.7Confident86 Ų8671.2 Ų71.240%0.40239%0.39SS..Hα-helixtrans-65-38.7-173.9-61.8-45.4137.200110.9S9 H15 A16 R158S9-E12 PolarHBondContact O-N 2.95Å; S9-E12 PolarHBondContact OG-N 3.47Å; E12-H15 PolarHBondContact O-N 2.93Å; E12-A16 WeakPolarHBondContact O-CB 3.43Å; E12-A16 PolarHBondContact O-N 3.04Å; E12-R158 IonicContact OE1-CZ 3.86Å; E12-R158 IonicContact OE1-NH1 3.66Å; E12-R158 PolarHBondContact OE1-NH1 2.97Å; E12-R158 IonicContact OE1-NH2 3.12Å
13T94.6Very high77.6Confident27 Ų2767.6 Ų67.617%0.16638%0.381CS..Hα-helixtrans-61.8-51.5172.8-560000111.2F8 S9 F11 H15 A16 I17 N59 L102F8-T13 VanDerWaalsContact CB-OG1 3.27Å; F8-T13 WeakPolarHBondContact CB-OG1 3.49Å; S9-T13 PolarHBondContact O-N 3.26Å; F11-T13 VanDerWaalsContact C-N 3.29Å; F11-T13 PolarHBondContact O-N 3.31Å; T13-H15 VanDerWaalsContact C-N 3.27Å; T13-H15 PolarHBondContact O-N 3.42Å; T13-A16 PolarHBondContact O-N 2.9Å; T13-I17 HydrophobicContact CG2-CD1 3.92Å; T13-I17 WeakPolarHBondContact O-CD1 3.35Å; T13-I17 WeakPolarHBondContact O-CG1 3.49Å; T13-I17 PolarHBondContact O-N 3.36Å; T13-N59 HydrophobicContact CG2-CB 4.01Å; T13-L102 HydrophobicContact CG2-CD1 4.4Å; T13-L102 HydrophobicContact CG2-CD2 4.12Å
14A96.5Very high80.5Confident0 Ų068.3 Ų68.30%037%0.371CS..Hα-helixtrans-61.3-36.7178.300000112.3D10 F11 A18 L102 R105 V106 L109 F159D10-A14 WeakPolarHBondContact O-CB 3.45Å; D10-A14 PolarHBondContact O-N 3.39Å; D10-A14 VanDerWaalsContact O-N 3.13Å; F11-A14 PolarHBondContact O-N 2.89Å; A14-A18 VanDerWaalsContact O-CB 3.3Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.88Å; A14-L102 HydrophobicContact CB-CD1 3.79Å; A14-R105 HydrophobicContact CB-CB 3.79Å; A14-V106 HydrophobicContact CB-CG2 4.3Å; A14-L109 HydrophobicContact CB-CD1 3.75Å; A14-F159 HydrophobicContact CB-CZ 4Å
15H97.2Very high83.2Confident64 Ų6463.6 Ų63.630%0.29634%0.338SS..Hα-helixtrans-68.7-46.5178.6-176.7-105.8000111.6F11 E12 T13 I17 A18 Q19 L109F11-H15 HydrophobicContact CD1-CB 4.18Å; F11-H15 HydrophobicContact CE1-CB 3.95Å; F11-H15 WeakPolarHBondContact O-CB 3.5Å; F11-H15 PolarHBondContact O-N 3.05Å; E12-H15 PolarHBondContact O-N 2.93Å; T13-H15 VanDerWaalsContact C-N 3.27Å; T13-H15 PolarHBondContact O-N 3.42Å; H15-I17 VanDerWaalsContact C-N 3.33Å; H15-I17 PolarHBondContact O-N 3.4Å; H15-A18 PolarHBondContact O-N 3Å; H15-Q19 PolarHBondContact NE2-NE2 3.14Å; H15-Q19 WeakPolarHBondContact O-CG 3.27Å; H15-Q19 PolarHBondContact O-N 3.33Å; H15-L109 HydrophobicContact CB-CD1 4.14Å
16A97.5Very high85.8Confident53 Ų5366.3 Ų66.344%0.43835%0.349SS..Hα-helixtrans-58.4-44.7174.900000111.8E12 T13 Q19 F20E12-A16 WeakPolarHBondContact O-CB 3.43Å; E12-A16 PolarHBondContact O-N 3.04Å; T13-A16 PolarHBondContact O-N 2.9Å; A16-Q19 PolarHBondContact O-N 3.5Å; A16-F20 PolarHBondContact O-N 2.99Å
17I97.7Very high88.4Confident2 Ų260.8 Ų60.81%0.0133%0.334CS..Hα-helixtrans-60.3-46.9174.7-69.5160.6000110.9T13 H15 Q19 F20 I21 I57 P58 F60 L102 V106T13-I17 HydrophobicContact CG2-CD1 3.92Å; T13-I17 WeakPolarHBondContact O-CD1 3.35Å; T13-I17 WeakPolarHBondContact O-CG1 3.49Å; T13-I17 PolarHBondContact O-N 3.36Å; H15-I17 VanDerWaalsContact C-N 3.33Å; H15-I17 PolarHBondContact O-N 3.4Å; I17-Q19 VanDerWaalsContact C-N 3.31Å; I17-Q19 PolarHBondContact O-N 2.81Å; I17-F20 WeakPolarHBondContact O-CB 3.43Å; I17-F20 PolarHBondContact O-N 3.26Å; I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.44Å; I17-I21 WeakPolarHBondContact O-CG1 3.34Å; I17-I21 PolarHBondContact O-N 3.25Å; I17-I57 HydrophobicContact CG2-CG2 3.87Å; I17-P58 VanDerWaalsContact CG1-O 3.27Å; I17-P58 WeakPolarHBondContact CG1-O 3.47Å; I17-F60 HydrophobicContact CD1-CD2 4.12Å; I17-F60 HydrophobicContact CG2-CD2 3.85Å; I17-F60 HydrophobicContact CG2-CE2 4.2Å; I17-L102 HydrophobicContact CD1-CD2 3.61Å; I17-L102 HydrophobicContact CD1-CG 4.19Å; I17-V106 HydrophobicContact CB-CG2 3.94Å; I17-V106 HydrophobicContact CD1-CG2 4.4Å; I17-V106 HydrophobicContact CG2-CB 4.38Å; I17-V106 HydrophobicContact CG2-CG1 3.89Å; I17-V106 HydrophobicContact CG2-CG2 3.52Å
18A97.6Very high91Very high0 Ų064.4 Ų64.40%033%0.333CS..Hα-helixtrans-63.1-36.3179.400000112.3A14 H15 K22 L109 L110A14-A18 VanDerWaalsContact O-CB 3.3Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.88Å; H15-A18 PolarHBondContact O-N 3Å; A18-K22 WeakPolarHBondContact O-CB 3.43Å; A18-K22 WeakPolarHBondContact O-CG 3.38Å; A18-K22 PolarHBondContact O-N 3.18Å; A18-L109 HydrophobicContact CB-CB 3.65Å; A18-L109 HydrophobicContact CB-CD1 4.34Å; A18-L110 HydrophobicContact CB-CD2 4.25Å; A18-L110 HydrophobicContact CB-CG 4.38Å
19Q98Very high93.4Very high88 Ų8857.6 Ų57.641%0.41130%0.303SS..Hα-helixtrans-68.2-42.6174.6-66.6-57.4-2500112.1H15 A16 I17 I21 K22 G23H15-Q19 PolarHBondContact NE2-NE2 3.14Å; H15-Q19 WeakPolarHBondContact O-CG 3.27Å; H15-Q19 PolarHBondContact O-N 3.33Å; A16-Q19 PolarHBondContact O-N 3.5Å; I17-Q19 VanDerWaalsContact C-N 3.31Å; I17-Q19 PolarHBondContact O-N 2.81Å; Q19-I21 VanDerWaalsContact C-N 3.35Å; Q19-I21 PolarHBondContact O-N 3.08Å; Q19-K22 PolarHBondContact O-N 3.32Å; Q19-G23 PolarHBondContact O-N 3.18Å
20F98.1Very high95.2Very high67 Ų6756 Ų5629%0.29429%0.293SS..Hα-helixtrans-56.9-49.5173.6175.6-92.5000111.2A16 I17 K22 G23 K24 D56 I57 P58A16-F20 PolarHBondContact O-N 2.99Å; I17-F20 WeakPolarHBondContact O-CB 3.43Å; I17-F20 PolarHBondContact O-N 3.26Å; F20-K22 PolarHBondContact O-N 2.9Å; F20-G23 PolarHBondContact O-N 3.13Å; F20-G23 VanDerWaalsContact O-N 3.14Å; F20-K24 HydrophobicContact CE1-CG 4.35Å; F20-D56 WeakPolarHBondContact CZ-O 3.43Å; F20-I57 HydrophobicContact CD1-CG2 4.08Å; F20-I57 HydrophobicContact CE1-CB 4.43Å; F20-I57 HydrophobicContact CE1-CG1 4.27Å; F20-I57 HydrophobicContact CE1-CG2 4.35Å; F20-P58 HydrophobicContact CD2-CG 4Å; F20-P58 HydrophobicContact CE2-CG 4.05Å; F20-P58 HydrophobicContact CG-CG 4.4Å; F20-P58 HydrophobicContact CZ-CG 4.5Å
21I97.8Very high96.1Very high0 Ų052.7 Ų52.70%028%0.275CS..Hα-helixtrans-62-42.7178.7-70.8167.3000111.3I17 Q19 G23 K24 I25 L52 L72 F74 V106 L110I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.44Å; I17-I21 WeakPolarHBondContact O-CG1 3.34Å; I17-I21 PolarHBondContact O-N 3.25Å; Q19-I21 VanDerWaalsContact C-N 3.35Å; Q19-I21 PolarHBondContact O-N 3.08Å; I21-G23 PolarHBondContact O-N 3.34Å; I21-K24 WeakPolarHBondContact O-CA 3.35Å; I21-K24 WeakPolarHBondContact O-CB 3.22Å; I21-K24 PolarHBondContact O-N 2.75Å; I21-I25 HydrophobicContact CG2-CD1 3.91Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 HydrophobicContact CG2-CG2 4.28Å; I21-I25 PolarHBondContact O-N 3.13Å; I21-L52 HydrophobicContact CG1-CD1 4.39Å; I21-L72 HydrophobicContact CD1-CD2 3.67Å; I21-L72 HydrophobicContact CG1-CD2 4.42Å; I21-F74 HydrophobicContact CD1-CZ 4.43Å; I21-F74 HydrophobicContact CG2-CE1 3.87Å; I21-F74 HydrophobicContact CG2-CE2 3.95Å; I21-F74 HydrophobicContact CG2-CZ 3.32Å; I21-V106 HydrophobicContact CD1-CG1 3.64Å; I21-L110 HydrophobicContact CB-CD1 4.49Å; I21-L110 HydrophobicContact CB-CD2 4.3Å; I21-L110 HydrophobicContact CD1-CD1 4.27Å; I21-L110 HydrophobicContact CG2-CD1 3.81Å; I21-L110 HydrophobicContact CG2-CD2 3.89Å
22K96.8Very high96.3Very high54 Ų5451.5 Ų51.524%0.23527%0.27CS..Hα-helixtrans-56.7-31.4176.3-79.6169.3-173.7170.80112.7A18 Q19 F20 K24 L109 L110A18-K22 WeakPolarHBondContact O-CB 3.43Å; A18-K22 WeakPolarHBondContact O-CG 3.38Å; A18-K22 PolarHBondContact O-N 3.18Å; Q19-K22 PolarHBondContact O-N 3.32Å; F20-K22 PolarHBondContact O-N 2.9Å; K22-K24 PolarHBondContact O-N 3.24Å; K22-L109 WeakPolarHBondContact CE-O 3.39Å; K22-L109 PolarHBondContact NZ-O 3.27Å; K22-L109 VanDerWaalsContact NZ-O 3.13Å; K22-L110 HydrophobicContact CG-CD2 3.82Å
23G96.6Very high96.5Very high67 Ų6747.4 Ų47.469%0.69125%0.251SS*.THydrogen-bonded Turntrans-75.3-6.9174.200000114.9Q19 F20 I21Q19-G23 PolarHBondContact O-N 3.18Å; F20-G23 PolarHBondContact O-N 3.13Å; F20-G23 VanDerWaalsContact O-N 3.14Å; I21-G23 PolarHBondContact O-N 3.34Å
24K96.5Very high96.6Very high113 Ų11346.1 Ų46.149%0.49124%0.243SC..THydrogen-bonded Turntrans-112.8-12.6-177.7-60.4-62-176.4177.70113.8F20 I21 K22 L52F20-K24 HydrophobicContact CE1-CG 4.35Å; I21-K24 WeakPolarHBondContact O-CA 3.35Å; I21-K24 WeakPolarHBondContact O-CB 3.22Å; I21-K24 PolarHBondContact O-N 2.75Å; K22-K24 PolarHBondContact O-N 3.24Å; K24-L52 HydrophobicContact CB-CD1 4.01Å; K24-L52 HydrophobicContact CB-CD2 4.24Å; K24-L52 HydrophobicContact CG-CD1 4.27Å; K24-L52 HydrophobicContact CG-CD2 4.3Å
25I95.5Very high96.5Very high20 Ų2046.1 Ų46.110%0.10324%0.243CC..  trans-121.7149.8-176.670178.9000110.5I21 D27 F74I21-I25 HydrophobicContact CG2-CD1 3.91Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 HydrophobicContact CG2-CG2 4.28Å; I21-I25 PolarHBondContact O-N 3.13Å; I25-D27 WeakPolarHBondContact CD1-O 3.29Å; I25-F74 HydrophobicContact CD1-CD1 4.03Å; I25-F74 HydrophobicContact CD1-CE1 3.99Å; I25-F74 HydrophobicContact CG2-CB 4.06Å; I25-F74 HydrophobicContact CG2-CD1 3.93Å; I25-F74 HydrophobicContact CG2-CD2 3.62Å; I25-F74 HydrophobicContact CG2-CE1 4.29Å; I25-F74 HydrophobicContact CG2-CE2 4.02Å; I25-F74 HydrophobicContact CG2-CG 3.58Å; I25-F74 HydrophobicContact CG2-CZ 4.34Å
26N89.9Confident96.1Very high158 Ų15843.3 Ų43.385%0.84523%0.231SC*.SBendtrans-88.4-37.7179.8-63.1-43.7000112.4
27D93.3Very high95.4Very high97 Ų9741.6 Ų41.652%0.51922%0.216SC..SBendtrans-119.6145.4-172.6-61.6-65000110.9I25 T81I25-D27 WeakPolarHBondContact CD1-O 3.29Å; D27-T81 HydrophobicContact CB-CG2 3.71Å
28R94.1Very high94.6Very high169 Ų16942.2 Ų42.264%0.63822%0.223SC*.  trans-79.2129.1177.5-70.4-172.3-178.2-175.63.6110.6T81R28-T81 WeakPolarHBondContact O-CB 3.47Å; R28-T81 WeakPolarHBondContact O-CG2 3.39Å
29P96.9Very high94.2Very high1 Ų142.3 Ų42.31%0.00622%0.224CC..  trans-72.2135.1177.830.7-35.5000111F74 T81 M83 L110 G111 V112P29-F74 HydrophobicContact CG-CD1 4.41Å; P29-F74 HydrophobicContact CG-CE1 4.28Å; P29-T81 WeakPolarHBondContact CA-O 3.27Å; P29-T81 HydrophobicContact CB-CG2 4.41Å; P29-M83 HydrophobicContact CB-CB 3.72Å; P29-M83 HydrophobicContact CG-CB 3.86Å; P29-L110 HydrophobicContact CG-CB 4.08Å; P29-G111 CarbonylContact O-C 3.46Å; P29-V112 HydrophobicContact CB-CG2 4.12Å; P29-V112 HydrophobicContact CG-CG2 3.9Å; P29-V112 WeakPolarHBondContact O-CA 3.34Å; P29-V112 WeakPolarHBondContact O-CG2 3.48Å; P29-V112 PolarHBondContact O-N 3.29Å
30A96.2Very high93.6Very high15 Ų1538.7 Ų38.712%0.12421%0.21CC..SBendtrans-95.3-26.1171.900000112.4T81 Q113 T114 W285 L291A30-T81 PolarHBondContact N-O 2.98Å; A30-Q113 PolarHBondContact O-N 2.71Å; A30-T114 PolarHBondContact O-N 3.39Å; A30-W285 HydrophobicContact CB-CH2 3.94Å; A30-L291 HydrophobicContact CB-CD1 3.48Å; A30-L291 VanDerWaalsContact CB-CD1 3.48Å
31L98.1Very high93.3Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-117.9122.8-177.6177.463.2000110.6I33 T81 V82 M83 T114 I116 V282 W285L31-I33 HydrophobicContact CD2-CD1 4.41Å; L31-I33 HydrophobicContact CD2-CG1 4.48Å; L31-I33 HydrophobicContact CG-CG1 4.23Å; L31-T81 PolarHBondContact N-O 2.91Å; L31-V82 HydrophobicContact CB-CG1 4.12Å; L31-V82 HydrophobicContact CD2-CG1 3.99Å; L31-V82 HydrophobicContact CG-CG1 4.36Å; L31-V82 CarbonylContact O-C 3.56Å; L31-V82 WeakPolarHBondContact O-CA 3.44Å; L31-M83 PolarHBondContact O-N 3.26Å; L31-T114 WeakPolarHBondContact CA-O 3.3Å; L31-T114 HydrophobicContact CD1-CG2 3.63Å; L31-I116 HydrophobicContact CD1-CD1 3.86Å; L31-I116 HydrophobicContact CD1-CG1 3.99Å; L31-I116 HydrophobicContact CD2-CD1 4.1Å; L31-I116 HydrophobicContact CG-CD1 4.45Å; L31-V282 HydrophobicContact CD2-CG1 4.05Å; L31-V282 HydrophobicContact CD2-CG2 3.69Å; L31-W285 HydrophobicContact CB-CH2 3.7Å; L31-W285 HydrophobicContact CB-CZ2 4.31Å; L31-W285 HydrophobicContact CB-CZ3 3.98Å; L31-W285 HydrophobicContact CD2-CE3 4.42Å; L31-W285 HydrophobicContact CD2-CZ3 4.24Å
32G98.4Very high93Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-96.5140.6169.800000110.7M83 V112 T114 V115 I116G32-M83 CarbonylContact C-O 3.51Å; G32-M83 VanDerWaalsContact CA-O 3.3Å; G32-M83 WeakPolarHBondContact CA-O 3.38Å; G32-V112 VanDerWaalsContact N-CG1 3.33Å; G32-T114 PolarHBondContact N-O 3.45Å; G32-V115 CarbonylContact O-C 3.59Å; G32-V115 VanDerWaalsContact O-CA 3.29Å; G32-V115 WeakPolarHBondContact O-CA 3.43Å; G32-I116 PolarHBondContact O-N 2.82Å
33I98.5Very high92.9Very high0 Ų037.2 Ų37.20%021%0.206CC..EExtended strand (participates in β ladder)trans-129.8131.1176.7-57.5160.4000108.2L31 I42 F46 W77 V82 M83 C84 M85 I116L31-I33 HydrophobicContact CD2-CD1 4.41Å; L31-I33 HydrophobicContact CD2-CG1 4.48Å; L31-I33 HydrophobicContact CG-CG1 4.23Å; I33-I42 HydrophobicContact CD1-CG2 4.32Å; I33-I42 HydrophobicContact CG2-CD1 4.28Å; I33-F46 HydrophobicContact CD1-CE1 4.42Å; I33-F46 HydrophobicContact CD1-CZ 3.99Å; I33-W77 HydrophobicContact CD1-CE3 3.73Å; I33-W77 HydrophobicContact CD1-CZ3 3.55Å; I33-V82 HydrophobicContact CD1-CB 4.49Å; I33-M83 PolarHBondContact N-O 2.96Å; I33-C84 HydrophobicContact CB-CB 4.2Å; I33-C84 CarbonylContact O-C 3.24Å; I33-C84 WeakPolarHBondContact O-CA 3.36Å; I33-M85 PolarHBondContact O-N 3.08Å; I33-I116 CarbonylContact C-O 3.56Å; I33-I116 WeakPolarHBondContact CA-O 3.4Å; I33-I116 HydrophobicContact CG1-CB 4.37Å
34I97.9Very high92.8Very high1 Ų140 Ų401%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-114.4108.3173.4-47.1-175.2000108.5M85 R88 I104 M107 V115 I116 I117 T118 E226I34-M85 HydrophobicContact CD1-SD 4.19Å; I34-M85 HydrophobicContact CG1-SD 3.98Å; I34-M85 HydrophobicContact CG2-CB 4.33Å; I34-M85 HydrophobicContact CG2-CE 4.44Å; I34-M85 HydrophobicContact CG2-SD 4.39Å; I34-R88 HydrophobicContact CG2-CB 3.99Å; I34-R88 VanDerWaalsContact CG2-NH2 3.32Å; I34-R88 PolarHBondContact O-NH2 2.85Å; I34-R88 VanDerWaalsContact O-NH2 3.11Å; I34-I104 HydrophobicContact CD1-CD1 3.65Å; I34-M107 HydrophobicContact CG1-CE 4.13Å; I34-V115 HydrophobicContact CD1-CG1 4.37Å; I34-V115 HydrophobicContact CG1-CG1 4.32Å; I34-I116 PolarHBondContact N-O 3.03Å; I34-I117 HydrophobicContact CB-CG2 4.31Å; I34-I117 HydrophobicContact CD1-CG1 4.3Å; I34-T118 PolarHBondContact O-N 2.96Å; I34-T118 PolarHBondContact O-OG1 3.45Å; I34-E226 HydrophobicContact CD1-CB 4.2Å; I34-E226 HydrophobicContact CD1-CG 4.16Å
35C95.1Very high92.7Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-76.1128.9176.3-60.60000109.6L39 C84 M85 R88 T118C35-L39 HydrophobicContact CB-CB 4.16Å; C35-L39 PolarHBondContact SG-O 3.22Å; C35-C84 PolarHBondContact SG-SG 2.83Å; C35-M85 WeakPolarHBondContact CB-O 3.4Å; C35-M85 PolarHBondContact N-O 3.36Å; C35-M85 PolarHBondContact SG-O 3.44Å; C35-R88 PolarHBondContact O-NH2 2.88Å; C35-T118 WeakPolarHBondContact CA-OG1 3.2Å
36G88.2Confident92.8Very high5 Ų537.8 Ų37.85%0.05219%0.194CC..  trans-83.1-173.9161.900000110.9G38 L39 T118G36-G38 PolarHBondContact O-N 2.74Å; G36-L39 PolarHBondContact O-N 2.89Å; G36-T118 PolarHBondContact N-O 3.5Å; G36-T118 PolarHBondContact N-OG1 2.78Å
37S82.9Confident93.1Very high16 Ų1636.4 Ų36.411%0.11218%0.182CC..THydrogen-bonded Turntrans-47.7134173.7-530000111.9L39 M267S37-L39 PolarHBondContact O-N 2.82Å; S37-L39 VanDerWaalsContact O-N 3.13Å; S37-M267 WeakPolarHBondContact O-CE 3.19Å
38G81Confident93.1Very high16 Ų1640.2 Ų40.217%0.16519%0.194CC..THydrogen-bonded Turntrans71.6-2.7177.900000117G36G36-G38 PolarHBondContact O-N 2.74Å
39L87.5Confident93.2Very high1 Ų135.4 Ų35.41%0.00519%0.187CC..  trans-103.811.1175.3-70.6165.1000113.3C35 G36 S37 Q41 I42 T118 I242 M267 L274 M275C35-L39 HydrophobicContact CB-CB 4.16Å; C35-L39 PolarHBondContact SG-O 3.22Å; G36-L39 PolarHBondContact O-N 2.89Å; S37-L39 PolarHBondContact O-N 2.82Å; S37-L39 VanDerWaalsContact O-N 3.13Å; L39-Q41 PolarHBondContact O-N 2.84Å; L39-I42 HydrophobicContact CB-CD1 4.19Å; L39-I42 HydrophobicContact CD2-CD1 4.45Å; L39-I42 WeakPolarHBondContact O-CG1 3.36Å; L39-I42 PolarHBondContact O-N 3.19Å; L39-T118 HydrophobicContact CD1-CG2 3.93Å; L39-T118 VanDerWaalsContact CD1-OG1 3.28Å; L39-T118 WeakPolarHBondContact CD1-OG1 3.39Å; L39-I242 HydrophobicContact CD1-CD1 4.31Å; L39-I242 HydrophobicContact CD2-CD1 4.46Å; L39-M267 HydrophobicContact CD1-CE 4.24Å; L39-M267 HydrophobicContact CG-CE 4.47Å; L39-L274 HydrophobicContact CD1-CD2 3.65Å; L39-L274 HydrophobicContact CD2-CD2 4Å; L39-M275 HydrophobicContact CD2-CG 4.49Å
40G86.7Confident93.2Very high13 Ų1337.6 Ų37.613%0.13420%0.2CC..THydrogen-bonded Turntrans-64.6-3.817700000114.6Q86G40-Q86 PolarHBondContact O-NE2 3.28Å
41Q90.7Very high93.2Very high78 Ų7840.3 Ų40.336%0.36422%0.215SC..THydrogen-bonded Turntrans-87.8-10.4176.7-63.4-179.8-51.600113.3L39 P43 E44 M275L39-Q41 PolarHBondContact O-N 2.84Å; Q41-P43 VanDerWaalsContact C-CD 3.46Å; Q41-P43 VanDerWaalsContact C-N 3.3Å; Q41-P43 VanDerWaalsContact O-N 3.17Å; Q41-E44 VanDerWaalsContact O-CB 3.24Å; Q41-E44 WeakPolarHBondContact O-CB 3.4Å; Q41-E44 WeakPolarHBondContact O-CG 3.48Å; Q41-E44 PolarHBondContact O-N 2.9Å; Q41-M275 HydrophobicContact CB-CE 4.49Å; Q41-M275 HydrophobicContact CB-SD 4.45Å
42I92.8Very high93.2Very high0 Ų041.3 Ų41.30%022%0.22CC..G310 helixtrans-48.9-44.3179.8-72.1173.3000113.2I33 L39 E44 L45 F46 W77 M275 L278I33-I42 HydrophobicContact CD1-CG2 4.32Å; I33-I42 HydrophobicContact CG2-CD1 4.28Å; L39-I42 HydrophobicContact CB-CD1 4.19Å; L39-I42 HydrophobicContact CD2-CD1 4.45Å; L39-I42 WeakPolarHBondContact O-CG1 3.36Å; L39-I42 PolarHBondContact O-N 3.19Å; I42-E44 PolarHBondContact O-N 2.88Å; I42-E44 VanDerWaalsContact O-N 3.09Å; I42-L45 WeakPolarHBondContact O-CB 3.11Å; I42-L45 PolarHBondContact O-N 3Å; I42-F46 HydrophobicContact CG2-CE1 3.88Å; I42-F46 HydrophobicContact CG2-CZ 3.94Å; I42-W77 HydrophobicContact CG2-CH2 4.16Å; I42-W77 HydrophobicContact CG2-CZ3 4.05Å; I42-M275 HydrophobicContact CG1-CG 4.13Å; I42-L278 HydrophobicContact CD1-CD1 3.92Å
43P94.9Very high93.1Very high11 Ų1143.6 Ų43.67%0.07124%0.235CC..G310 helixtrans-64.3-12.9-179.9-25.136.9000116Q41 L45 F46 V73 C84 Q86Q41-P43 VanDerWaalsContact C-CD 3.46Å; Q41-P43 VanDerWaalsContact C-N 3.3Å; Q41-P43 VanDerWaalsContact O-N 3.17Å; P43-L45 PolarHBondContact O-N 2.81Å; P43-F46 HydrophobicContact CB-CD2 3.91Å; P43-F46 HydrophobicContact CB-CE2 3.87Å; P43-F46 HydrophobicContact CB-CG 4.47Å; P43-F46 HydrophobicContact CB-CZ 4.4Å; P43-F46 HydrophobicContact CG-CE2 4.14Å; P43-F46 HydrophobicContact CG-CZ 4.43Å; P43-F46 WeakPolarHBondContact O-CB 3.27Å; P43-F46 PolarHBondContact O-N 2.84Å; P43-F46 VanDerWaalsContact O-N 3.09Å; P43-V73 HydrophobicContact CB-CB 3.89Å; P43-V73 HydrophobicContact CB-CG1 3.74Å; P43-V73 HydrophobicContact CB-CG2 4.04Å; P43-V73 HydrophobicContact CG-CB 4.05Å; P43-V73 HydrophobicContact CG-CG1 4.45Å; P43-V73 HydrophobicContact CG-CG2 4.01Å; P43-C84 HydrophobicContact CG-CB 4.02Å; P43-Q86 HydrophobicContact CG-CG 3.77Å
44E94.1Very high93Very high125 Ų12543.6 Ų43.658%0.58424%0.235SC*.G310 helixtrans-66.7-17.4173.3-61.9168.2-16100111.7Q41 I42 F46 K69Q41-E44 VanDerWaalsContact O-CB 3.24Å; Q41-E44 WeakPolarHBondContact O-CB 3.4Å; Q41-E44 WeakPolarHBondContact O-CG 3.48Å; Q41-E44 PolarHBondContact O-N 2.9Å; I42-E44 PolarHBondContact O-N 2.88Å; I42-E44 VanDerWaalsContact O-N 3.09Å; E44-F46 VanDerWaalsContact C-N 3.31Å; E44-K69 IonicContact OE1-NZ 2.78Å
45L94.5Very high92.9Very high70 Ų7046.4 Ų46.437%0.36626%0.264SS..G310 helixtrans-84.4-2.7173.7-57.8178000113.3I42 P43 W77 M275I42-L45 WeakPolarHBondContact O-CB 3.11Å; I42-L45 PolarHBondContact O-N 3Å; P43-L45 PolarHBondContact O-N 2.81Å; L45-W77 HydrophobicContact CD1-CZ2 3.69Å; L45-M275 HydrophobicContact CD1-CE 3.69Å; L45-M275 HydrophobicContact CD2-CE 4.4Å; L45-M275 HydrophobicContact CG-CE 3.94Å
46F96.8Very high92.9Very high17 Ų1751.7 Ų51.78%0.07529%0.292CS..  trans-89.9139-174.6-59.7-5.5000111.3I33 I42 P43 E44 V73 T76 W77 V82 C84I33-F46 HydrophobicContact CD1-CE1 4.42Å; I33-F46 HydrophobicContact CD1-CZ 3.99Å; I42-F46 HydrophobicContact CG2-CE1 3.88Å; I42-F46 HydrophobicContact CG2-CZ 3.94Å; P43-F46 HydrophobicContact CB-CD2 3.91Å; P43-F46 HydrophobicContact CB-CE2 3.87Å; P43-F46 HydrophobicContact CB-CG 4.47Å; P43-F46 HydrophobicContact CB-CZ 4.4Å; P43-F46 HydrophobicContact CG-CE2 4.14Å; P43-F46 HydrophobicContact CG-CZ 4.43Å; P43-F46 WeakPolarHBondContact O-CB 3.27Å; P43-F46 PolarHBondContact O-N 2.84Å; P43-F46 VanDerWaalsContact O-N 3.09Å; E44-F46 VanDerWaalsContact C-N 3.31Å; F46-V73 HydrophobicContact CD2-CG1 4.24Å; F46-T76 CarbonylContact C-O 3.52Å; F46-T76 WeakPolarHBondContact CA-O 3.47Å; F46-W77 HydrophobicContact CD1-CB 3.75Å; F46-W77 HydrophobicContact CD1-CD2 4.31Å; F46-W77 AromaticContact CD1-CG 3.99Å; F46-W77 HydrophobicContact CD1-CG 3.99Å; F46-W77 HydrophobicContact CE1-CB 3.99Å; F46-W77 AromaticContact CE1-CD2 3.91Å; F46-W77 HydrophobicContact CE1-CD2 3.91Å; F46-W77 AromaticContact CE1-CE3 3.73Å; F46-W77 HydrophobicContact CE1-CE3 3.73Å; F46-W77 HydrophobicContact CE1-CG 4.06Å; F46-W77 HydrophobicContact CE1-CZ3 4.42Å; F46-V82 HydrophobicContact CD1-CG2 3.97Å; F46-V82 HydrophobicContact CD2-CG2 3.68Å; F46-V82 HydrophobicContact CE1-CG2 3.76Å; F46-V82 HydrophobicContact CE2-CG2 3.42Å; F46-V82 VanDerWaalsContact CE2-CG2 3.42Å; F46-V82 HydrophobicContact CG-CG2 3.96Å; F46-V82 HydrophobicContact CZ-CB 4.39Å; F46-V82 HydrophobicContact CZ-CG2 3.48Å; F46-V82 VanDerWaalsContact CZ-CG2 3.48Å; F46-C84 HydrophobicContact CE2-CB 3.48Å; F46-C84 VanDerWaalsContact CE2-CB 3.48Å; F46-C84 HydrophobicContact CZ-CB 3.62Å
47E96.6Very high93.3Very high130 Ų13051.7 Ų51.761%0.60729%0.291SS*.EExtended strand (participates in β ladder)trans-87.3153.1166.3-61.8173.8-16400110.1S49 G75 T76E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 2.79Å; E47-G75 CarbonylContact O-C 3.59Å; E47-G75 WeakPolarHBondContact O-CA 3.47Å; E47-T76 PolarHBondContact N-O 2.74Å; E47-T76 PolarHBondContact O-N 2.81Å
48K94Very high93.9Very high177 Ų17754.1 Ų54.177%0.7731%0.306SS*.EExtended strand (participates in β ladder)trans51.645.9174.8-57.2176.4-176.7173.30113.3
49S95Very high94.4Very high68 Ų6859 Ų5948%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-74143.4-171.257.70000113.6E47 F74E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 2.79Å; S49-F74 CarbonylContact C-O 3.5Å; S49-F74 WeakPolarHBondContact CA-O 3.22Å; S49-F74 WeakPolarHBondContact CB-O 3.42Å
50V97Very high94.7Very high47 Ų4759.7 Ų59.729%0.28533%0.332SS..EExtended strand (participates in β ladder)trans-122.5118.4169.3178.80000107.6L52 V73 F74V50-L52 HydrophobicContact CG1-CD2 4.29Å; V50-L52 HydrophobicContact CG1-CG 4.49Å; V50-V73 WeakPolarHBondContact O-CA 3.5Å; V50-F74 HydrophobicContact CB-CB 4.45Å; V50-F74 PolarHBondContact N-O 2.95Å; V50-F74 PolarHBondContact O-N 3.31Å
51T97.5Very high94.8Very high72 Ų7259.5 Ų59.544%0.44233%0.328SS..EExtended strand (participates in β ladder)trans-105126.2-179.7-62.10000110.2N71 V73T51-N71 HydrophobicContact CG2-CB 3.93Å; T51-V73 HydrophobicContact CG2-CG2 4.21Å
52L97.1Very high94.8Very high21 Ų2159.7 Ų59.711%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-119.7110.1174.8-57.3-179.6000108.7I21 K24 V50 I57 L72 F74I21-L52 HydrophobicContact CG1-CD1 4.39Å; K24-L52 HydrophobicContact CB-CD1 4.01Å; K24-L52 HydrophobicContact CB-CD2 4.24Å; K24-L52 HydrophobicContact CG-CD1 4.27Å; K24-L52 HydrophobicContact CG-CD2 4.3Å; V50-L52 HydrophobicContact CG1-CD2 4.29Å; V50-L52 HydrophobicContact CG1-CG 4.49Å; L52-I57 HydrophobicContact CB-CD1 4.07Å; L52-I57 HydrophobicContact CB-CG1 4.18Å; L52-L72 PolarHBondContact N-O 2.96Å; L52-L72 PolarHBondContact O-N 3.41Å; L52-F74 HydrophobicContact CD1-CE2 3.99Å
53P97Very high94.6Very high47 Ų4760.7 Ų60.731%0.30534%0.341SS..EExtended strand (participates in β ladder)trans-56139.8170.5-2535.8000110.9G55 D56P53-G55 PolarHBondContact O-N 2.84Å; P53-D56 HydrophobicContact CB-CB 4.39Å; P53-D56 WeakPolarHBondContact CD-OD2 3.49Å; P53-D56 WeakPolarHBondContact CG-OD2 3.28Å; P53-D56 WeakPolarHBondContact O-CB 3.41Å; P53-D56 PolarHBondContact O-N 3.4Å
54Y96.3Very high94.2Very high1 Ų165.5 Ų65.50%0.00437%0.371CS..G310 helixtrans-56.3-39.9-178.8-69.2-15.4000112.2D56 I57 F60 G70 N71 L72 M85 Q86 G87 F89Y54-D56 PolarHBondContact O-N 3.5Å; Y54-I57 PolarHBondContact O-N 3.3Å; Y54-I57 VanDerWaalsContact O-N 3.14Å; Y54-F60 AromaticContact CD1-CD1 3.8Å; Y54-F60 HydrophobicContact CD1-CD1 3.8Å; Y54-F60 AromaticContact CD1-CE1 3.46Å; Y54-F60 HydrophobicContact CD1-CE1 3.46Å; Y54-F60 VanDerWaalsContact CD1-CE1 3.46Å; Y54-F60 HydrophobicContact CD2-CE1 4.44Å; Y54-F60 AromaticContact CE1-CE1 3.74Å; Y54-F60 HydrophobicContact CE1-CE1 3.74Å; Y54-F60 AromaticContact CG-CD1 3.87Å; Y54-F60 HydrophobicContact CG-CD1 3.87Å; Y54-F60 AromaticContact CG-CE1 3.86Å; Y54-F60 HydrophobicContact CG-CE1 3.86Å; Y54-G70 WeakPolarHBondContact CB-O 3.31Å; Y54-G70 VanDerWaalsContact CD2-C 3.48Å; Y54-G70 VanDerWaalsContact CD2-CA 3.45Å; Y54-G70 PolarHBondContact N-O 3.09Å; Y54-N71 VanDerWaalsContact CE1-O 3.28Å; Y54-N71 WeakPolarHBondContact CE1-O 3.33Å; Y54-N71 PolarHBondContact OH-O 3.43Å; Y54-L72 HydrophobicContact CD1-CB 4.13Å; Y54-L72 HydrophobicContact CE1-CB 3.85Å; Y54-L72 VanDerWaalsContact CE1-N 3.32Å; Y54-M85 WeakPolarHBondContact OH-CA 3.47Å; Y54-M85 WeakPolarHBondContact OH-CB 3.46Å; Y54-Q86 PolarHBondContact OH-N 3.47Å; Y54-G87 PolarHBondContact OH-O 3.41Å; Y54-F89 AromaticContact CD2-CE1 3.77Å; Y54-F89 HydrophobicContact CD2-CE1 3.77Å; Y54-F89 AromaticContact CD2-CZ 3.47Å; Y54-F89 HydrophobicContact CD2-CZ 3.47Å; Y54-F89 VanDerWaalsContact CD2-CZ 3.47Å; Y54-F89 AromaticContact CE2-CE1 4Å; Y54-F89 HydrophobicContact CE2-CE1 4Å; Y54-F89 HydrophobicContact CE2-CE2 4.33Å; Y54-F89 AromaticContact CE2-CZ 3.52Å; Y54-F89 HydrophobicContact CE2-CZ 3.52Å; Y54-F89 HydrophobicContact CG-CZ 4.11Å
55G95.1Very high93.9Very high60 Ų6060.6 Ų60.662%0.61935%0.349SS*.G310 helixtrans-65.4-19.4177.600000114.8P53P53-G55 PolarHBondContact O-N 2.84Å
56D96.1Very high93.2Very high111 Ų11164.2 Ų64.259%0.59436%0.364SS*.G310 helixtrans-89.3-5.9177.9-65.7-16.7000112.4F20 P53 Y54F20-D56 WeakPolarHBondContact CZ-O 3.43Å; P53-D56 HydrophobicContact CB-CB 4.39Å; P53-D56 WeakPolarHBondContact CD-OD2 3.49Å; P53-D56 WeakPolarHBondContact CG-OD2 3.28Å; P53-D56 WeakPolarHBondContact O-CB 3.41Å; P53-D56 PolarHBondContact O-N 3.4Å; Y54-D56 PolarHBondContact O-N 3.5Å
57I96.8Very high92.4Very high5 Ų565.7 Ų65.73%0.02638%0.384CS..SBendtrans-96.4115.8178.2-55171.3000108.2I17 F20 L52 Y54 N59 F60 L72I17-I57 HydrophobicContact CG2-CG2 3.87Å; F20-I57 HydrophobicContact CD1-CG2 4.08Å; F20-I57 HydrophobicContact CE1-CB 4.43Å; F20-I57 HydrophobicContact CE1-CG1 4.27Å; F20-I57 HydrophobicContact CE1-CG2 4.35Å; L52-I57 HydrophobicContact CB-CD1 4.07Å; L52-I57 HydrophobicContact CB-CG1 4.18Å; Y54-I57 PolarHBondContact O-N 3.3Å; Y54-I57 VanDerWaalsContact O-N 3.14Å; I57-N59 PolarHBondContact O-N 3.27Å; I57-F60 HydrophobicContact CB-CB 3.62Å; I57-F60 HydrophobicContact CB-CG 4.09Å; I57-F60 HydrophobicContact CD1-CD1 4.38Å; I57-F60 HydrophobicContact CD1-CG 4.32Å; I57-F60 HydrophobicContact CG2-CB 3.72Å; I57-F60 HydrophobicContact CG2-CD2 3.99Å; I57-F60 HydrophobicContact CG2-CG 4.04Å; I57-F60 VanDerWaalsContact O-CB 3.29Å; I57-F60 WeakPolarHBondContact O-CB 3.14Å; I57-F60 PolarHBondContact O-N 2.96Å; I57-F60 VanDerWaalsContact O-N 3.08Å; I57-L72 HydrophobicContact CD1-CB 4Å; I57-L72 HydrophobicContact CD1-CD2 3.84Å
58P94.3Very high91.9Very high66 Ų6660.6 Ų60.643%0.42936%0.36SS..THydrogen-bonded Turntrans-56.2131-177.8-26.534.7000112.8I17 F20 F60I17-P58 VanDerWaalsContact CG1-O 3.27Å; I17-P58 WeakPolarHBondContact CG1-O 3.47Å; F20-P58 HydrophobicContact CD2-CG 4Å; F20-P58 HydrophobicContact CE2-CG 4.05Å; F20-P58 HydrophobicContact CG-CG 4.4Å; F20-P58 HydrophobicContact CZ-CG 4.5Å; P58-F60 PolarHBondContact O-N 3.46Å
59N91.4Very high91.6Very high119 Ų11957.4 Ų57.464%0.63635%0.346SS*.THydrogen-bonded Turntrans61.712.4-179.1-50.4-55.4000115.4T13 I57T13-N59 HydrophobicContact CG2-CB 4.01Å; I57-N59 PolarHBondContact O-N 3.27Å
60F94Very high91.5Very high15 Ų1555 Ų557%0.06633%0.333CS..  trans-80.6139.7174.3-151.2-103000110.1I17 Y54 I57 P58 F89 P103I17-F60 HydrophobicContact CD1-CD2 4.12Å; I17-F60 HydrophobicContact CG2-CD2 3.85Å; I17-F60 HydrophobicContact CG2-CE2 4.2Å; Y54-F60 AromaticContact CD1-CD1 3.8Å; Y54-F60 HydrophobicContact CD1-CD1 3.8Å; Y54-F60 AromaticContact CD1-CE1 3.46Å; Y54-F60 HydrophobicContact CD1-CE1 3.46Å; Y54-F60 VanDerWaalsContact CD1-CE1 3.46Å; Y54-F60 HydrophobicContact CD2-CE1 4.44Å; Y54-F60 AromaticContact CE1-CE1 3.74Å; Y54-F60 HydrophobicContact CE1-CE1 3.74Å; Y54-F60 AromaticContact CG-CD1 3.87Å; Y54-F60 HydrophobicContact CG-CD1 3.87Å; Y54-F60 AromaticContact CG-CE1 3.86Å; Y54-F60 HydrophobicContact CG-CE1 3.86Å; I57-F60 HydrophobicContact CB-CB 3.62Å; I57-F60 HydrophobicContact CB-CG 4.09Å; I57-F60 HydrophobicContact CD1-CD1 4.38Å; I57-F60 HydrophobicContact CD1-CG 4.32Å; I57-F60 HydrophobicContact CG2-CB 3.72Å; I57-F60 HydrophobicContact CG2-CD2 3.99Å; I57-F60 HydrophobicContact CG2-CG 4.04Å; I57-F60 VanDerWaalsContact O-CB 3.29Å; I57-F60 WeakPolarHBondContact O-CB 3.14Å; I57-F60 PolarHBondContact O-N 2.96Å; I57-F60 VanDerWaalsContact O-N 3.08Å; P58-F60 PolarHBondContact O-N 3.46Å; F60-F89 HydrophobicContact CD1-CE2 4.49Å; F60-F89 HydrophobicContact CD1-CZ 4.02Å; F60-F89 AromaticContact CE1-CE2 3.85Å; F60-F89 HydrophobicContact CE1-CE2 3.85Å; F60-F89 AromaticContact CE1-CZ 3.67Å; F60-F89 HydrophobicContact CE1-CZ 3.67Å; F60-F89 HydrophobicContact CZ-CE2 4.39Å; F60-P103 HydrophobicContact CE1-CG 4.41Å; F60-P103 HydrophobicContact CE2-CB 4.44Å; F60-P103 HydrophobicContact CE2-CG 4.25Å; F60-P103 HydrophobicContact CZ-CB 3.99Å; F60-P103 HydrophobicContact CZ-CG 3.74Å
61P90Very high91.5Very high9 Ų954.3 Ų54.36%0.05833%0.327CS..  trans-65.1156.2175.523.7-31.2000111.4F89 L99P61-F89 HydrophobicContact CB-CD1 3.68Å; P61-F89 HydrophobicContact CB-CD2 4.23Å; P61-F89 HydrophobicContact CB-CE1 3.74Å; P61-F89 HydrophobicContact CB-CE2 4.3Å; P61-F89 HydrophobicContact CB-CG 3.93Å; P61-F89 HydrophobicContact CB-CZ 4.05Å; P61-F89 HydrophobicContact CG-CD1 3.98Å; P61-F89 HydrophobicContact CG-CD2 3.62Å; P61-F89 HydrophobicContact CG-CE1 3.87Å; P61-F89 HydrophobicContact CG-CE2 3.53Å; P61-F89 HydrophobicContact CG-CG 3.84Å; P61-F89 HydrophobicContact CG-CZ 3.64Å; P61-F89 WeakPolarHBondContact O-CE1 3.04Å; P61-F89 WeakPolarHBondContact O-CZ 3.46Å; P61-L99 HydrophobicContact CB-CD1 4.1Å; P61-L99 HydrophobicContact CB-CD2 4.42Å; P61-L99 HydrophobicContact CB-CG 4.1Å; P61-L99 HydrophobicContact CG-CD1 4.13Å; P61-L99 HydrophobicContact CG-CG 4.38Å
62V90.2Very high91.5Very high82 Ų8250.9 Ų50.950%0.49731%0.306SS..  trans-121.6130.6176.1-179.10000107.7H95V62-H95 PolarHBondContact O-NE2 3.43Å
63S87.5Confident91.5Very high21 Ų2150 Ų5015%0.14730%0.301CS..  trans-86.5147.2178.7-175.90000110.3V65 H68 R88 E93S63-V65 PolarHBondContact OG-N 3.27Å; S63-H68 PolarHBondContact OG-ND1 3.06Å; S63-R88 VanDerWaalsContact CB-O 3.29Å; S63-R88 WeakPolarHBondContact CB-O 3.47Å; S63-R88 PolarHBondContact OG-O 3.18Å; S63-R88 VanDerWaalsContact OG-O 3.05Å; S63-E93 WeakPolarHBondContact CA-OE1 3.48Å; S63-E93 PolarHBondContact OG-OE1 2.96Å; S63-E93 VanDerWaalsContact OG-OE1 3.05Å; S63-E93 PolarHBondContact OG-OE2 3.25Å
64T87.6Confident91.6Very high112 Ų11248.1 Ų48.169%0.68729%0.288SS*.  trans-106.8-4.1177.859.30000112.6E93T64-E93 PolarHBondContact N-OE1 2.97Å; T64-E93 PolarHBondContact OG1-OE1 3.06Å
65V86.3Confident91.7Very high22 Ų2248.4 Ų48.413%0.13329%0.292CS..SBendtrans-75.9127.4-177.1176.40000111.4S63 G67 H68 Y92 E93S63-V65 PolarHBondContact OG-N 3.27Å; V65-G67 PolarHBondContact O-N 3.18Å; V65-H68 WeakPolarHBondContact O-CB 3.47Å; V65-H68 PolarHBondContact O-N 3Å; V65-Y92 HydrophobicContact CG2-CE2 3.92Å; V65-Y92 WeakPolarHBondContact CG2-OH 3.35Å; V65-E93 HydrophobicContact CG2-CG 4.07Å
66E81.5Confident91.8Very high147 Ų14746.8 Ų46.869%0.68727%0.27SS*.THydrogen-bonded Turntrans-60.1134.3174.1-64.7-174.9171.100111.8H260E66-H260 PolarHBondContact O-NE2 3.14Å
67G79.8Confident91.8Very high47 Ų4741.7 Ų41.749%0.48524%0.242SC..THydrogen-bonded Turntrans94-10.5-175.400000114.5V65V65-G67 PolarHBondContact O-N 3.18Å
68H85.1Confident91.7Very high24 Ų2445 Ų4511%0.11126%0.258CS..  trans-84.4113.5167.1-70.8-177.5000110.6S63 V65 G70 G87 R88 H90S63-H68 PolarHBondContact OG-ND1 3.06Å; V65-H68 WeakPolarHBondContact O-CB 3.47Å; V65-H68 PolarHBondContact O-N 3Å; H68-G70 PolarHBondContact O-N 3.01Å; H68-G87 VanDerWaalsContact CG-CA 3.46Å; H68-R88 PolarHBondContact CE1-N 2.96Å; H68-R88 PolarHBondContact CE1-O 2.78Å; H68-R88 PolarHBondContact ND1-N 3Å; H68-R88 PolarHBondContact ND1-O 2.82Å; H68-H90 AromaticContact CE1-CE1 3.35Å; H68-H90 PolarHBondContact CE1-CE1 2.71Å; H68-H90 AromaticContact CE1-ND1 3.92Å; H68-H90 AromaticContact NE2-CE1 3.96Å
69K88Confident91.7Very high110 Ų11044.1 Ų44.148%0.47826%0.261SS..  trans-66.3-21.9177.8-64.4-177.1175.2177.20112.8E44 Q86E44-K69 IonicContact OE1-NZ 2.78Å; K69-Q86 HydrophobicContact CB-CB 3.98Å; K69-Q86 PolarHBondContact N-O 3.32Å
70G93.8Very high92Very high18 Ų1838.6 Ų38.619%0.18623%0.231CC..  trans74.935.4174.900000113.7Y54 H68 Q86Y54-G70 WeakPolarHBondContact CB-O 3.31Å; Y54-G70 VanDerWaalsContact CD2-C 3.48Å; Y54-G70 VanDerWaalsContact CD2-CA 3.45Å; Y54-G70 PolarHBondContact N-O 3.09Å; H68-G70 PolarHBondContact O-N 3.01Å; G70-Q86 PolarHBondContact N-O 3.19Å
71N96.3Very high92.1Very high32 Ų3239.5 Ų39.517%0.17124%0.238CC..EExtended strand (participates in β ladder)trans-123144.1-178.8-61-47.3000112.4T51 Y54 V73 Q86T51-N71 HydrophobicContact CG2-CB 3.93Å; Y54-N71 VanDerWaalsContact CE1-O 3.28Å; Y54-N71 WeakPolarHBondContact CE1-O 3.33Å; Y54-N71 PolarHBondContact OH-O 3.43Å; N71-V73 HydrophobicContact CB-CG2 4.14Å; N71-Q86 HydrophobicContact CB-CB 4.33Å; N71-Q86 PolarHBondContact ND2-OE1 3.09Å; N71-Q86 PolarHBondContact O-N 2.82Å
72L97.4Very high92.5Very high0 Ų039.1 Ų39.10%024%0.236CC..EExtended strand (participates in β ladder)trans-100.8116.6164.9-169.663.7000109.3I21 L52 Y54 I57 F74 M83 M85I21-L72 HydrophobicContact CD1-CD2 3.67Å; I21-L72 HydrophobicContact CG1-CD2 4.42Å; L52-L72 PolarHBondContact N-O 2.96Å; L52-L72 PolarHBondContact O-N 3.41Å; Y54-L72 HydrophobicContact CD1-CB 4.13Å; Y54-L72 HydrophobicContact CE1-CB 3.85Å; Y54-L72 VanDerWaalsContact CE1-N 3.32Å; I57-L72 HydrophobicContact CD1-CB 4Å; I57-L72 HydrophobicContact CD1-CD2 3.84Å; L72-F74 HydrophobicContact CB-CE2 4.46Å; L72-F74 HydrophobicContact CD2-CE2 3.65Å; L72-F74 HydrophobicContact CD2-CZ 3.51Å; L72-F74 HydrophobicContact CG-CE2 3.63Å; L72-F74 HydrophobicContact CG-CZ 3.77Å; L72-M83 HydrophobicContact CD1-CE 3.44Å; L72-M83 VanDerWaalsContact CD1-CE 3.44Å; L72-M83 HydrophobicContact CD1-CG 3.73Å; L72-M83 HydrophobicContact CD1-SD 4.31Å; L72-M83 HydrophobicContact CD2-CE 3.89Å; L72-M83 HydrophobicContact CG-CE 4.22Å; L72-M83 HydrophobicContact CG-CG 4.38Å; L72-M85 HydrophobicContact CD1-CG 3.7Å
73V98Very high92.9Very high2 Ų235.2 Ų35.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-115.7127.3-174.9-166.80000110.4P43 F46 V50 T51 N71 M83 C84 Q86P43-V73 HydrophobicContact CB-CB 3.89Å; P43-V73 HydrophobicContact CB-CG1 3.74Å; P43-V73 HydrophobicContact CB-CG2 4.04Å; P43-V73 HydrophobicContact CG-CB 4.05Å; P43-V73 HydrophobicContact CG-CG1 4.45Å; P43-V73 HydrophobicContact CG-CG2 4.01Å; F46-V73 HydrophobicContact CD2-CG1 4.24Å; V50-V73 WeakPolarHBondContact O-CA 3.5Å; T51-V73 HydrophobicContact CG2-CG2 4.21Å; N71-V73 HydrophobicContact CB-CG2 4.14Å; V73-M83 CarbonylContact O-C 3.56Å; V73-C84 PolarHBondContact N-O 3.23Å; V73-C84 PolarHBondContact O-N 3.09Å; V73-Q86 HydrophobicContact CG2-CG 4.2Å
74F98.2Very high93.4Very high7 Ų734.2 Ų34.23%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-106.3155.7172.7-58.6-93.6000109.5I21 I25 P29 S49 V50 L52 L72 V82 M83 L110I21-F74 HydrophobicContact CD1-CZ 4.43Å; I21-F74 HydrophobicContact CG2-CE1 3.87Å; I21-F74 HydrophobicContact CG2-CE2 3.95Å; I21-F74 HydrophobicContact CG2-CZ 3.32Å; I25-F74 HydrophobicContact CD1-CD1 4.03Å; I25-F74 HydrophobicContact CD1-CE1 3.99Å; I25-F74 HydrophobicContact CG2-CB 4.06Å; I25-F74 HydrophobicContact CG2-CD1 3.93Å; I25-F74 HydrophobicContact CG2-CD2 3.62Å; I25-F74 HydrophobicContact CG2-CE1 4.29Å; I25-F74 HydrophobicContact CG2-CE2 4.02Å; I25-F74 HydrophobicContact CG2-CG 3.58Å; I25-F74 HydrophobicContact CG2-CZ 4.34Å; P29-F74 HydrophobicContact CG-CD1 4.41Å; P29-F74 HydrophobicContact CG-CE1 4.28Å; S49-F74 CarbonylContact C-O 3.5Å; S49-F74 WeakPolarHBondContact CA-O 3.22Å; S49-F74 WeakPolarHBondContact CB-O 3.42Å; V50-F74 HydrophobicContact CB-CB 4.45Å; V50-F74 PolarHBondContact N-O 2.95Å; V50-F74 PolarHBondContact O-N 3.31Å; L52-F74 HydrophobicContact CD1-CE2 3.99Å; L72-F74 HydrophobicContact CB-CE2 4.46Å; L72-F74 HydrophobicContact CD2-CE2 3.65Å; L72-F74 HydrophobicContact CD2-CZ 3.51Å; L72-F74 HydrophobicContact CG-CE2 3.63Å; L72-F74 HydrophobicContact CG-CZ 3.77Å; F74-V82 WeakPolarHBondContact CA-O 3.4Å; F74-M83 HydrophobicContact CD1-CB 3.85Å; F74-M83 HydrophobicContact CD1-CG 4.1Å; F74-M83 HydrophobicContact CE1-CB 3.7Å; F74-M83 HydrophobicContact CE1-CG 3.52Å; F74-M83 HydrophobicContact CE1-SD 3.8Å; F74-M83 HydrophobicContact CZ-CG 3.95Å; F74-M83 HydrophobicContact CZ-SD 4.12Å; F74-L110 HydrophobicContact CE1-CD1 4.21Å; F74-L110 HydrophobicContact CZ-CD1 4.44Å
75G97.4Very high93.9Very high7 Ų728.9 Ų28.97%0.07217%0.172CC..EExtended strand (participates in β ladder)trans172.7-16517400000112.2E47 T81 V82E47-G75 CarbonylContact O-C 3.59Å; E47-G75 WeakPolarHBondContact O-CA 3.47Å; G75-T81 WeakPolarHBondContact O-CA 3.32Å; G75-V82 PolarHBondContact N-O 2.84Å; G75-V82 WeakPolarHBondContact O-CG2 3.48Å; G75-V82 PolarHBondContact O-N 3.45Å
76T97.2Very high94.3Very high27 Ų2728.5 Ų28.517%0.16617%0.169CC..EExtended strand (participates in β ladder)trans-112.8130.4175.1-54.90000110F46 E47 A80F46-T76 CarbonylContact C-O 3.52Å; F46-T76 WeakPolarHBondContact CA-O 3.47Å; E47-T76 PolarHBondContact N-O 2.74Å; E47-T76 PolarHBondContact O-N 2.81Å; T76-A80 CarbonylContact C-O 3.59Å; T76-A80 VanDerWaalsContact CA-O 3.27Å; T76-A80 WeakPolarHBondContact CA-O 3.32Å
77W97.1Very high94.8Very high4 Ų421.6 Ų21.62%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-133.6119176.2-172.825000110.3I33 I42 L45 F46 G79 A80 V82 L278 N279 V282I33-W77 HydrophobicContact CD1-CE3 3.73Å; I33-W77 HydrophobicContact CD1-CZ3 3.55Å; I42-W77 HydrophobicContact CG2-CH2 4.16Å; I42-W77 HydrophobicContact CG2-CZ3 4.05Å; L45-W77 HydrophobicContact CD1-CZ2 3.69Å; F46-W77 HydrophobicContact CD1-CB 3.75Å; F46-W77 HydrophobicContact CD1-CD2 4.31Å; F46-W77 AromaticContact CD1-CG 3.99Å; F46-W77 HydrophobicContact CD1-CG 3.99Å; F46-W77 HydrophobicContact CE1-CB 3.99Å; F46-W77 AromaticContact CE1-CD2 3.91Å; F46-W77 HydrophobicContact CE1-CD2 3.91Å; F46-W77 AromaticContact CE1-CE3 3.73Å; F46-W77 HydrophobicContact CE1-CE3 3.73Å; F46-W77 HydrophobicContact CE1-CG 4.06Å; F46-W77 HydrophobicContact CE1-CZ3 4.42Å; W77-G79 PolarHBondContact O-N 3.25Å; W77-A80 PolarHBondContact N-O 3.49Å; W77-A80 WeakPolarHBondContact O-CB 3.4Å; W77-A80 PolarHBondContact O-N 3.38Å; W77-V82 HydrophobicContact CB-CG1 3.96Å; W77-V82 HydrophobicContact CB-CG2 4.17Å; W77-L278 HydrophobicContact CH2-CB 3.62Å; W77-L278 HydrophobicContact CZ2-CB 4.29Å; W77-N279 HydrophobicContact CZ2-CB 3.99Å; W77-N279 PolarHBondContact NE1-OD1 2.85Å; W77-V282 HydrophobicContact CD2-CB 4.31Å; W77-V282 HydrophobicContact CD2-CG1 4.27Å; W77-V282 HydrophobicContact CD2-CG2 4.15Å; W77-V282 HydrophobicContact CE3-CB 4.27Å; W77-V282 HydrophobicContact CE3-CG1 4.27Å; W77-V282 HydrophobicContact CE3-CG2 3.64Å; W77-V282 HydrophobicContact CG-CG1 4.41Å; W77-V282 HydrophobicContact CH2-CG2 4.11Å; W77-V282 HydrophobicContact CZ3-CG2 3.61Å; W77-V282 WeakPolarHBondContact O-CG1 3.23Å
78Q95.6Very high95.6Very high74 Ų7419.5 Ų19.535%0.34612%0.115SC..THydrogen-bonded Turntrans51.139.6-174-60.6-69.4-20.800112.7A80 N279 V282 K283 H286Q78-A80 VanDerWaalsContact C-N 3.27Å; Q78-A80 PolarHBondContact O-N 2.9Å; Q78-N279 PolarHBondContact NE2-ND2 3.34Å; Q78-N279 PolarHBondContact NE2-OD1 3Å; Q78-V282 HydrophobicContact CB-CG1 4.1Å; Q78-K283 HydrophobicContact CB-CB 4.11Å; Q78-K283 HydrophobicContact CG-CB 4.01Å; Q78-H286 PolarHBondContact O-CD2 3.01Å
79G94.4Very high96Very high48 Ų4818.3 Ų18.350%0.49511%0.11SC..THydrogen-bonded Turntrans83.9-17.6-177.800000115.3W77 H286W77-G79 PolarHBondContact O-N 3.25Å; G79-H286 PolarHBondContact O-NE2 3.06Å
80A96.1Very high96.3Very high2 Ų213.7 Ų13.72%0.0179%0.089CC..EExtended strand (participates in β ladder)trans-83.2139.7179.300000112.9T76 W77 Q78 V82 V282 W285 H286T76-A80 CarbonylContact C-O 3.59Å; T76-A80 VanDerWaalsContact CA-O 3.27Å; T76-A80 WeakPolarHBondContact CA-O 3.32Å; W77-A80 PolarHBondContact N-O 3.49Å; W77-A80 WeakPolarHBondContact O-CB 3.4Å; W77-A80 PolarHBondContact O-N 3.38Å; Q78-A80 VanDerWaalsContact C-N 3.27Å; Q78-A80 PolarHBondContact O-N 2.9Å; A80-V82 HydrophobicContact CB-CG1 4.35Å; A80-V282 HydrophobicContact CB-CG1 4.26Å; A80-W285 HydrophobicContact CB-CE3 4.39Å; A80-W285 HydrophobicContact CB-CZ3 3.64Å; A80-H286 HydrophobicContact CB-CB 4.22Å
81T97Very high96.3Very high35 Ų3513 Ų1322%0.2158%0.082CC..EExtended strand (participates in β ladder)trans-75.8123.3167.1-49.70000110.3D27 R28 P29 A30 L31 G75D27-T81 HydrophobicContact CB-CG2 3.71Å; R28-T81 WeakPolarHBondContact O-CB 3.47Å; R28-T81 WeakPolarHBondContact O-CG2 3.39Å; P29-T81 WeakPolarHBondContact CA-O 3.27Å; P29-T81 HydrophobicContact CB-CG2 4.41Å; A30-T81 PolarHBondContact N-O 2.98Å; L31-T81 PolarHBondContact N-O 2.91Å; G75-T81 WeakPolarHBondContact O-CA 3.32Å
82V97.8Very high96.2Very high0 Ų014.3 Ų14.30%09%0.085CC..EExtended strand (participates in β ladder)trans-122.7152.6-172.7-56.90000112.3L31 I33 F46 F74 G75 W77 A80L31-V82 HydrophobicContact CB-CG1 4.12Å; L31-V82 HydrophobicContact CD2-CG1 3.99Å; L31-V82 HydrophobicContact CG-CG1 4.36Å; L31-V82 CarbonylContact O-C 3.56Å; L31-V82 WeakPolarHBondContact O-CA 3.44Å; I33-V82 HydrophobicContact CD1-CB 4.49Å; F46-V82 HydrophobicContact CD1-CG2 3.97Å; F46-V82 HydrophobicContact CD2-CG2 3.68Å; F46-V82 HydrophobicContact CE1-CG2 3.76Å; F46-V82 HydrophobicContact CE2-CG2 3.42Å; F46-V82 VanDerWaalsContact CE2-CG2 3.42Å; F46-V82 HydrophobicContact CG-CG2 3.96Å; F46-V82 HydrophobicContact CZ-CB 4.39Å; F46-V82 HydrophobicContact CZ-CG2 3.48Å; F46-V82 VanDerWaalsContact CZ-CG2 3.48Å; F74-V82 WeakPolarHBondContact CA-O 3.4Å; G75-V82 PolarHBondContact N-O 2.84Å; G75-V82 WeakPolarHBondContact O-CG2 3.48Å; G75-V82 PolarHBondContact O-N 3.45Å; W77-V82 HydrophobicContact CB-CG1 3.96Å; W77-V82 HydrophobicContact CB-CG2 4.17Å; A80-V82 HydrophobicContact CB-CG1 4.35Å
83M98Very high96Very high0 Ų016 Ų160%09%0.093CC..EExtended strand (participates in β ladder)trans-124.5125.1168.3170.5-176.6162.600108P29 L31 G32 I33 L72 V73 F74 V106 M107 L110P29-M83 HydrophobicContact CB-CB 3.72Å; P29-M83 HydrophobicContact CG-CB 3.86Å; L31-M83 PolarHBondContact O-N 3.26Å; G32-M83 CarbonylContact C-O 3.51Å; G32-M83 VanDerWaalsContact CA-O 3.3Å; G32-M83 WeakPolarHBondContact CA-O 3.38Å; I33-M83 PolarHBondContact N-O 2.96Å; L72-M83 HydrophobicContact CD1-CE 3.44Å; L72-M83 VanDerWaalsContact CD1-CE 3.44Å; L72-M83 HydrophobicContact CD1-CG 3.73Å; L72-M83 HydrophobicContact CD1-SD 4.31Å; L72-M83 HydrophobicContact CD2-CE 3.89Å; L72-M83 HydrophobicContact CG-CE 4.22Å; L72-M83 HydrophobicContact CG-CG 4.38Å; V73-M83 CarbonylContact O-C 3.56Å; F74-M83 HydrophobicContact CD1-CB 3.85Å; F74-M83 HydrophobicContact CD1-CG 4.1Å; F74-M83 HydrophobicContact CE1-CB 3.7Å; F74-M83 HydrophobicContact CE1-CG 3.52Å; F74-M83 HydrophobicContact CE1-SD 3.8Å; F74-M83 HydrophobicContact CZ-CG 3.95Å; F74-M83 HydrophobicContact CZ-SD 4.12Å; M83-V106 HydrophobicContact CE-CG1 4.33Å; M83-M107 HydrophobicContact CE-CE 4.02Å; M83-M107 HydrophobicContact CE-CG 3.61Å; M83-M107 HydrophobicContact SD-CE 4.44Å; M83-M107 HydrophobicContact SD-CG 3.7Å; M83-L110 HydrophobicContact CE-CD1 4.39Å; M83-L110 HydrophobicContact SD-CD1 3.63Å
84C98.1Very high95.7Very high0 Ų019.2 Ų19.20%013%0.126CC..EExtended strand (participates in β ladder)trans-127.6128.3-174.5-170.50000111.3I33 C35 P43 F46 V73I33-C84 HydrophobicContact CB-CB 4.2Å; I33-C84 CarbonylContact O-C 3.24Å; I33-C84 WeakPolarHBondContact O-CA 3.36Å; C35-C84 PolarHBondContact SG-SG 2.83Å; P43-C84 HydrophobicContact CG-CB 4.02Å; F46-C84 HydrophobicContact CE2-CB 3.48Å; F46-C84 VanDerWaalsContact CE2-CB 3.48Å; F46-C84 HydrophobicContact CZ-CB 3.62Å; V73-C84 PolarHBondContact N-O 3.23Å; V73-C84 PolarHBondContact O-N 3.09Å
85M97.9Very high95.3Very high0 Ų020.8 Ų20.80%013%0.134CC..EExtended strand (participates in β ladder)trans-93.6113.2174.6-71.1175.164.100109.5I33 I34 C35 Y54 L72 G87 F89 P103 M107I33-M85 PolarHBondContact O-N 3.08Å; I34-M85 HydrophobicContact CD1-SD 4.19Å; I34-M85 HydrophobicContact CG1-SD 3.98Å; I34-M85 HydrophobicContact CG2-CB 4.33Å; I34-M85 HydrophobicContact CG2-CE 4.44Å; I34-M85 HydrophobicContact CG2-SD 4.39Å; C35-M85 WeakPolarHBondContact CB-O 3.4Å; C35-M85 PolarHBondContact N-O 3.36Å; C35-M85 PolarHBondContact SG-O 3.44Å; Y54-M85 WeakPolarHBondContact OH-CA 3.47Å; Y54-M85 WeakPolarHBondContact OH-CB 3.46Å; L72-M85 HydrophobicContact CD1-CG 3.7Å; M85-G87 VanDerWaalsContact C-N 3.29Å; M85-G87 WeakPolarHBondContact CB-O 3.27Å; M85-G87 PolarHBondContact O-N 2.86Å; M85-G87 VanDerWaalsContact O-N 3.08Å; M85-F89 HydrophobicContact CE-CD2 4.36Å; M85-F89 HydrophobicContact CE-CE2 3.88Å; M85-P103 HydrophobicContact CE-CB 3.51Å; M85-P103 HydrophobicContact CE-CG 3.53Å; M85-P103 HydrophobicContact SD-CB 3.4Å; M85-P103 WeakPolarHBondContact SD-CB 3.42Å; M85-P103 HydrophobicContact SD-CG 4.15Å; M85-M107 HydrophobicContact CG-CE 4.16Å; M85-M107 HydrophobicContact SD-CE 3.76Å
86Q95.4Very high95.1Very high15 Ų1523.4 Ų23.47%0.0715%0.151CC..EExtended strand (participates in β ladder)trans-82.776.2172.8-68.6-177.4-38.500110.2G40 P43 Y54 K69 G70 N71 V73G40-Q86 PolarHBondContact O-NE2 3.28Å; P43-Q86 HydrophobicContact CG-CG 3.77Å; Y54-Q86 PolarHBondContact OH-N 3.47Å; K69-Q86 HydrophobicContact CB-CB 3.98Å; K69-Q86 PolarHBondContact N-O 3.32Å; G70-Q86 PolarHBondContact N-O 3.19Å; N71-Q86 HydrophobicContact CB-CB 4.33Å; N71-Q86 PolarHBondContact ND2-OE1 3.09Å; N71-Q86 PolarHBondContact O-N 2.82Å; V73-Q86 HydrophobicContact CG2-CG 4.2Å
87G93.4Very high94.8Very high2 Ų222.6 Ų22.62%0.02115%0.145CC..SBendtrans109.5168.5-172.700000111.7Y54 H68 M85Y54-G87 PolarHBondContact OH-O 3.41Å; H68-G87 VanDerWaalsContact CG-CA 3.46Å; M85-G87 VanDerWaalsContact C-N 3.29Å; M85-G87 WeakPolarHBondContact CB-O 3.27Å; M85-G87 PolarHBondContact O-N 2.86Å; M85-G87 VanDerWaalsContact O-N 3.08Å
88R94.6Very high94.6Very high2 Ų224.6 Ų24.61%0.00816%0.155CC..  trans-140.1179.4-176.972-167.261.9-167-20.9111.5I34 C35 S63 H68 T118 S222 T223 E226I34-R88 HydrophobicContact CG2-CB 3.99Å; I34-R88 VanDerWaalsContact CG2-NH2 3.32Å; I34-R88 PolarHBondContact O-NH2 2.85Å; I34-R88 VanDerWaalsContact O-NH2 3.11Å; C35-R88 PolarHBondContact O-NH2 2.88Å; S63-R88 VanDerWaalsContact CB-O 3.29Å; S63-R88 WeakPolarHBondContact CB-O 3.47Å; S63-R88 PolarHBondContact OG-O 3.18Å; S63-R88 VanDerWaalsContact OG-O 3.05Å; H68-R88 PolarHBondContact CE1-N 2.96Å; H68-R88 PolarHBondContact CE1-O 2.78Å; H68-R88 PolarHBondContact ND1-N 3Å; H68-R88 PolarHBondContact ND1-O 2.82Å; R88-T118 PolarHBondContact NH1-O 3.23Å; R88-T118 PolarHBondContact NH2-O 2.95Å; R88-S222 PolarHBondContact NH1-OG 3Å; R88-T223 PolarHBondContact NH1-OG1 3.45Å; R88-E226 IonicContact NH1-OE2 3.92Å
89F94.5Very high94.5Very high0 Ų023.8 Ų23.80%015%0.153CC..  trans-113.1132.9179-46.4-73.6000109.1Y54 F60 P61 M85 S100 P103Y54-F89 AromaticContact CD2-CE1 3.77Å; Y54-F89 HydrophobicContact CD2-CE1 3.77Å; Y54-F89 AromaticContact CD2-CZ 3.47Å; Y54-F89 HydrophobicContact CD2-CZ 3.47Å; Y54-F89 VanDerWaalsContact CD2-CZ 3.47Å; Y54-F89 AromaticContact CE2-CE1 4Å; Y54-F89 HydrophobicContact CE2-CE1 4Å; Y54-F89 HydrophobicContact CE2-CE2 4.33Å; Y54-F89 AromaticContact CE2-CZ 3.52Å; Y54-F89 HydrophobicContact CE2-CZ 3.52Å; Y54-F89 HydrophobicContact CG-CZ 4.11Å; F60-F89 HydrophobicContact CD1-CE2 4.49Å; F60-F89 HydrophobicContact CD1-CZ 4.02Å; F60-F89 AromaticContact CE1-CE2 3.85Å; F60-F89 HydrophobicContact CE1-CE2 3.85Å; F60-F89 AromaticContact CE1-CZ 3.67Å; F60-F89 HydrophobicContact CE1-CZ 3.67Å; F60-F89 HydrophobicContact CZ-CE2 4.39Å; P61-F89 HydrophobicContact CB-CD1 3.68Å; P61-F89 HydrophobicContact CB-CD2 4.23Å; P61-F89 HydrophobicContact CB-CE1 3.74Å; P61-F89 HydrophobicContact CB-CE2 4.3Å; P61-F89 HydrophobicContact CB-CG 3.93Å; P61-F89 HydrophobicContact CB-CZ 4.05Å; P61-F89 HydrophobicContact CG-CD1 3.98Å; P61-F89 HydrophobicContact CG-CD2 3.62Å; P61-F89 HydrophobicContact CG-CE1 3.87Å; P61-F89 HydrophobicContact CG-CE2 3.53Å; P61-F89 HydrophobicContact CG-CG 3.84Å; P61-F89 HydrophobicContact CG-CZ 3.64Å; P61-F89 WeakPolarHBondContact O-CE1 3.04Å; P61-F89 WeakPolarHBondContact O-CZ 3.46Å; M85-F89 HydrophobicContact CE-CD2 4.36Å; M85-F89 HydrophobicContact CE-CE2 3.88Å; F89-S100 WeakPolarHBondContact O-CB 3.46Å; F89-P103 HydrophobicContact CD2-CG 3.84Å; F89-P103 HydrophobicContact CE2-CG 3.54Å
90H94.3Very high94.5Very high12 Ų1221.6 Ų21.66%0.05613%0.129CC..  trans-111.8143.9-177.6-56.791.5000111.3H68 Y92 E93H68-H90 AromaticContact CE1-CE1 3.35Å; H68-H90 PolarHBondContact CE1-CE1 2.71Å; H68-H90 AromaticContact CE1-ND1 3.92Å; H68-H90 AromaticContact NE2-CE1 3.96Å; H90-Y92 HydrophobicContact CB-CD1 3.6Å; H90-Y92 HydrophobicContact CB-CD2 4.1Å; H90-Y92 HydrophobicContact CB-CE1 3.29Å; H90-Y92 HydrophobicContact CB-CE2 3.8Å; H90-Y92 HydrophobicContact CB-CG 3.99Å; H90-Y92 AromaticContact CD2-CE1 3.46Å; H90-Y92 VanDerWaalsContact CD2-CE1 3.46Å; H90-Y92 WeakPolarHBondContact CD2-CE1 3.34Å; H90-Y92 AromaticContact CD2-CZ 3.72Å; H90-Y92 PolarHBondContact CD2-OH 3.05Å; H90-Y92 PolarHBondContact CE1-OH 2.98Å; H90-Y92 AromaticContact CG-CE1 3.41Å; H90-Y92 VanDerWaalsContact CG-CE1 3.41Å; H90-Y92 AromaticContact CG-CZ 3.36Å; H90-Y92 VanDerWaalsContact CG-OH 3.3Å; H90-Y92 AromaticContact ND1-CZ 3.64Å; H90-Y92 PolarHBondContact ND1-OH 3.33Å; H90-Y92 VanDerWaalsContact ND1-OH 3.16Å; H90-Y92 PolarHBondContact NE2-OH 3.48Å; H90-Y92 PolarHBondContact O-N 3.3Å; H90-E93 HydrophobicContact CB-CG 4.14Å; H90-E93 WeakPolarHBondContact CB-OE2 3.22Å; H90-E93 IonicContact CG-OE2 3.71Å; H90-E93 PolarHBondContact N-OE2 3.25Å; H90-E93 IonicContact ND1-OE2 2.74Å; H90-E93 PolarHBondContact ND1-OE2 2.84Å; H90-E93 VanDerWaalsContact ND1-OE2 3.12Å; H90-E93 WeakPolarHBondContact O-CB 3.42Å; H90-E93 PolarHBondContact O-N 3.05Å; H90-E93 VanDerWaalsContact O-N 3.09Å
91P93.9Very high94.5Very high3 Ų321.6 Ų21.62%0.01913%0.129CC..G310 helixtrans-59.8-31.8174.5-27.336.8000114E93 G94 H95 M97 M196 F198P91-E93 PolarHBondContact O-N 3.08Å; P91-G94 PolarHBondContact O-N 2.74Å; P91-H95 WeakPolarHBondContact CA-O 3.32Å; P91-M97 HydrophobicContact CB-CG 4.29Å; P91-M97 HydrophobicContact CG-CE 4.37Å; P91-M97 HydrophobicContact CG-CG 3.8Å; P91-M196 HydrophobicContact CG-CE 4.47Å; P91-F198 HydrophobicContact CB-CD2 4.44Å; P91-F198 HydrophobicContact CB-CE1 4.5Å; P91-F198 HydrophobicContact CB-CE2 3.71Å; P91-F198 HydrophobicContact CB-CZ 3.74Å
92Y94.2Very high94.4Very high60 Ų6020.3 Ų20.324%0.23512%0.121CC..G310 helixtrans-66.3-15.2176.863.4-111.9000113.7V65 H90 G94 P200 M221V65-Y92 HydrophobicContact CG2-CE2 3.92Å; V65-Y92 WeakPolarHBondContact CG2-OH 3.35Å; H90-Y92 HydrophobicContact CB-CD1 3.6Å; H90-Y92 HydrophobicContact CB-CD2 4.1Å; H90-Y92 HydrophobicContact CB-CE1 3.29Å; H90-Y92 HydrophobicContact CB-CE2 3.8Å; H90-Y92 HydrophobicContact CB-CG 3.99Å; H90-Y92 AromaticContact CD2-CE1 3.46Å; H90-Y92 VanDerWaalsContact CD2-CE1 3.46Å; H90-Y92 WeakPolarHBondContact CD2-CE1 3.34Å; H90-Y92 AromaticContact CD2-CZ 3.72Å; H90-Y92 PolarHBondContact CD2-OH 3.05Å; H90-Y92 PolarHBondContact CE1-OH 2.98Å; H90-Y92 AromaticContact CG-CE1 3.41Å; H90-Y92 VanDerWaalsContact CG-CE1 3.41Å; H90-Y92 AromaticContact CG-CZ 3.36Å; H90-Y92 VanDerWaalsContact CG-OH 3.3Å; H90-Y92 AromaticContact ND1-CZ 3.64Å; H90-Y92 PolarHBondContact ND1-OH 3.33Å; H90-Y92 VanDerWaalsContact ND1-OH 3.16Å; H90-Y92 PolarHBondContact NE2-OH 3.48Å; H90-Y92 PolarHBondContact O-N 3.3Å; Y92-G94 PolarHBondContact O-N 3.19Å; Y92-P200 HydrophobicContact CD2-CB 4.17Å; Y92-P200 HydrophobicContact CG-CB 4.18Å; Y92-M221 HydrophobicContact CD1-CB 3.92Å; Y92-M221 HydrophobicContact CD1-SD 4.26Å; Y92-M221 HydrophobicContact CE1-CB 3.67Å; Y92-M221 HydrophobicContact CE1-SD 4.1Å
93E93.5Very high94.4Very high36 Ų3620.3 Ų20.317%0.16812%0.121CC..G310 helixtrans-74.90.6171.7-60.4175.681.100111.7S63 T64 V65 H90 P91S63-E93 WeakPolarHBondContact CA-OE1 3.48Å; S63-E93 PolarHBondContact OG-OE1 2.96Å; S63-E93 VanDerWaalsContact OG-OE1 3.05Å; S63-E93 PolarHBondContact OG-OE2 3.25Å; T64-E93 PolarHBondContact N-OE1 2.97Å; T64-E93 PolarHBondContact OG1-OE1 3.06Å; V65-E93 HydrophobicContact CG2-CG 4.07Å; H90-E93 HydrophobicContact CB-CG 4.14Å; H90-E93 WeakPolarHBondContact CB-OE2 3.22Å; H90-E93 IonicContact CG-OE2 3.71Å; H90-E93 PolarHBondContact N-OE2 3.25Å; H90-E93 IonicContact ND1-OE2 2.74Å; H90-E93 PolarHBondContact ND1-OE2 2.84Å; H90-E93 VanDerWaalsContact ND1-OE2 3.12Å; H90-E93 WeakPolarHBondContact O-CB 3.42Å; H90-E93 PolarHBondContact O-N 3.05Å; H90-E93 VanDerWaalsContact O-N 3.09Å; P91-E93 PolarHBondContact O-N 3.08Å
94G91.7Very high94.4Very high70 Ų7020.4 Ų20.472%0.72212%0.122SC*.THydrogen-bonded Turntrans89.23.3-175.500000113.6P91 Y92P91-G94 PolarHBondContact O-N 2.74Å; Y92-G94 PolarHBondContact O-N 3.19Å
95H90.2Very high94.4Very high40 Ų4020.9 Ų20.919%0.18512%0.123CC..  trans-73.1142.7172.8-60.4-47.6000111.1V62 P91 L99V62-H95 PolarHBondContact O-NE2 3.43Å; P91-H95 WeakPolarHBondContact CA-O 3.32Å; H95-L99 HydrophobicContact CB-CD2 4.22Å
96S91.9Very high94.4Very high62 Ų6220.9 Ų20.943%0.43412%0.123SC..  trans-65.5151.4165.7690000109.8Q98 L99 S100S96-Q98 PolarHBondContact O-N 3.09Å; S96-L99 PolarHBondContact O-N 3.14Å; S96-L99 WeakPolarHBondContact OG-CB 3.31Å; S96-L99 PolarHBondContact OG-N 3.24Å; S96-L99 VanDerWaalsContact OG-N 3.13Å; S96-S100 PolarHBondContact O-N 2.9Å; S96-S100 PolarHBondContact O-OG 3.42Å
97M92.5Very high94.5Very high10 Ų1020.1 Ų20.15%0.04912%0.12CC..Hα-helixtrans-60.2-31.2176-72.1-166.9-175.600112.3P91 S100 V101 P143 P148 G149 P150 F198P91-M97 HydrophobicContact CB-CG 4.29Å; P91-M97 HydrophobicContact CG-CE 4.37Å; P91-M97 HydrophobicContact CG-CG 3.8Å; M97-S100 PolarHBondContact O-N 3.4Å; M97-V101 WeakPolarHBondContact O-CG1 3.42Å; M97-V101 WeakPolarHBondContact O-CG2 3.3Å; M97-V101 PolarHBondContact O-N 3.26Å; M97-P143 HydrophobicContact CE-CB 3.61Å; M97-P143 HydrophobicContact CE-CG 4.45Å; M97-P148 HydrophobicContact CE-CB 3.67Å; M97-P148 HydrophobicContact SD-CB 4.31Å; M97-G149 WeakPolarHBondContact SD-CA 3.49Å; M97-G149 PolarHBondContact SD-N 3.41Å; M97-P150 HydrophobicContact CB-CB 4.38Å; M97-F198 HydrophobicContact CE-CD2 4.15Å; M97-F198 HydrophobicContact CE-CE2 3.97Å
98Q92.7Very high94.7Very high45 Ų4523.8 Ų23.821%0.2114%0.135CC..Hα-helixtrans-62.5-44.2174.6-66.178.32.100111.1S96 V101 L102 G149 V152S96-Q98 PolarHBondContact O-N 3.09Å; Q98-V101 WeakPolarHBondContact O-CG2 3.14Å; Q98-V101 PolarHBondContact O-N 2.95Å; Q98-L102 PolarHBondContact O-N 3.32Å; Q98-L102 VanDerWaalsContact O-N 3.14Å; Q98-G149 PolarHBondContact NE2-O 3.07Å; Q98-V152 PolarHBondContact NE2-O 3.37Å
99L92.5Very high94.9Very high58 Ų5825.3 Ų25.330%0.30414%0.144SC..Hα-helixtrans-67.4-41.7175.2-176.762.1000111.3P61 H95 S96 V101 L102P61-L99 HydrophobicContact CB-CD1 4.1Å; P61-L99 HydrophobicContact CB-CD2 4.42Å; P61-L99 HydrophobicContact CB-CG 4.1Å; P61-L99 HydrophobicContact CG-CD1 4.13Å; P61-L99 HydrophobicContact CG-CG 4.38Å; H95-L99 HydrophobicContact CB-CD2 4.22Å; S96-L99 PolarHBondContact O-N 3.14Å; S96-L99 WeakPolarHBondContact OG-CB 3.31Å; S96-L99 PolarHBondContact OG-N 3.24Å; S96-L99 VanDerWaalsContact OG-N 3.13Å; L99-V101 PolarHBondContact O-N 3.14Å; L99-L102 HydrophobicContact CD1-CD2 4.06Å; L99-L102 VanDerWaalsContact O-CB 3.22Å; L99-L102 WeakPolarHBondContact O-CB 3.4Å; L99-L102 PolarHBondContact O-N 3.36Å; L99-L102 VanDerWaalsContact O-N 3.09Å
100S93.9Very high95Very high1 Ų125.3 Ų25.31%0.00714%0.144CC..Hα-helixtrans-59.7-31.8177.5-58.40000113F89 S96 M97F89-S100 WeakPolarHBondContact O-CB 3.46Å; S96-S100 PolarHBondContact O-N 2.9Å; S96-S100 PolarHBondContact O-OG 3.42Å; M97-S100 PolarHBondContact O-N 3.4Å
101V96.1Very high95.2Very high2 Ų226.4 Ų26.41%0.01216%0.158CC..THydrogen-bonded Turntrans-96.32.4177.4-54.80000114.4M97 Q98 L99 P103 I104 R105 P150 H225 A229M97-V101 WeakPolarHBondContact O-CG1 3.42Å; M97-V101 WeakPolarHBondContact O-CG2 3.3Å; M97-V101 PolarHBondContact O-N 3.26Å; Q98-V101 WeakPolarHBondContact O-CG2 3.14Å; Q98-V101 PolarHBondContact O-N 2.95Å; L99-V101 PolarHBondContact O-N 3.14Å; V101-P103 VanDerWaalsContact C-N 3.26Å; V101-I104 WeakPolarHBondContact O-CB 3.46Å; V101-I104 PolarHBondContact O-N 2.78Å; V101-R105 PolarHBondContact O-N 3.27Å; V101-P150 HydrophobicContact CB-CB 4.45Å; V101-P150 HydrophobicContact CG1-CB 3.77Å; V101-P150 HydrophobicContact CG2-CB 3.89Å; V101-H225 HydrophobicContact CG1-CB 4.06Å; V101-H225 WeakPolarHBondContact CG1-O 3.29Å; V101-A229 HydrophobicContact CB-CB 3.61Å; V101-A229 HydrophobicContact CG1-CB 3.84Å; V101-A229 HydrophobicContact CG2-CB 3.86Å
102L96.2Very high95.4Very high8 Ų826.5 Ų26.54%0.04216%0.158CC..Hα-helixtrans-50.8-40.9177-178.466.2000112.8T13 A14 I17 Q98 L99 I104 R105 V106T13-L102 HydrophobicContact CG2-CD1 4.4Å; T13-L102 HydrophobicContact CG2-CD2 4.12Å; A14-L102 HydrophobicContact CB-CD1 3.79Å; I17-L102 HydrophobicContact CD1-CD2 3.61Å; I17-L102 HydrophobicContact CD1-CG 4.19Å; Q98-L102 PolarHBondContact O-N 3.32Å; Q98-L102 VanDerWaalsContact O-N 3.14Å; L99-L102 HydrophobicContact CD1-CD2 4.06Å; L99-L102 VanDerWaalsContact O-CB 3.22Å; L99-L102 WeakPolarHBondContact O-CB 3.4Å; L99-L102 PolarHBondContact O-N 3.36Å; L99-L102 VanDerWaalsContact O-N 3.09Å; L102-I104 VanDerWaalsContact C-N 3.26Å; L102-I104 PolarHBondContact O-N 3.45Å; L102-R105 WeakPolarHBondContact O-CA 3.35Å; L102-R105 WeakPolarHBondContact O-CB 3.49Å; L102-R105 PolarHBondContact O-N 2.92Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 3.05Å
103P96.9Very high95.5Very high1 Ų128.5 Ų28.51%0.00617%0.17CC..Hα-helixtrans-60-32.4176.7-24.735.6000114.1F60 M85 F89 V101 R105 V106 M107F60-P103 HydrophobicContact CE1-CG 4.41Å; F60-P103 HydrophobicContact CE2-CB 4.44Å; F60-P103 HydrophobicContact CE2-CG 4.25Å; F60-P103 HydrophobicContact CZ-CB 3.99Å; F60-P103 HydrophobicContact CZ-CG 3.74Å; M85-P103 HydrophobicContact CE-CB 3.51Å; M85-P103 HydrophobicContact CE-CG 3.53Å; M85-P103 HydrophobicContact SD-CB 3.4Å; M85-P103 WeakPolarHBondContact SD-CB 3.42Å; M85-P103 HydrophobicContact SD-CG 4.15Å; F89-P103 HydrophobicContact CD2-CG 3.84Å; F89-P103 HydrophobicContact CE2-CG 3.54Å; V101-P103 VanDerWaalsContact C-N 3.26Å; P103-R105 VanDerWaalsContact C-N 3.32Å; P103-R105 PolarHBondContact O-N 3.27Å; P103-V106 WeakPolarHBondContact O-CB 3.33Å; P103-V106 PolarHBondContact O-N 3.18Å; P103-M107 WeakPolarHBondContact O-CB 3.49Å; P103-M107 VanDerWaalsContact O-CG 3.31Å; P103-M107 WeakPolarHBondContact O-CG 3.44Å; P103-M107 PolarHBondContact O-N 3.21Å
104I98.1Very high95.7Very high1 Ų126.9 Ų26.91%0.00516%0.162CC..Hα-helixtrans-66-37.5174.4-62.6-65.9000110.9I34 V101 L102 V106 M107 K108 V115 E226 A229 A230 M235I34-I104 HydrophobicContact CD1-CD1 3.65Å; V101-I104 WeakPolarHBondContact O-CB 3.46Å; V101-I104 PolarHBondContact O-N 2.78Å; L102-I104 VanDerWaalsContact C-N 3.26Å; L102-I104 PolarHBondContact O-N 3.45Å; I104-V106 VanDerWaalsContact C-N 3.35Å; I104-M107 HydrophobicContact CD1-SD 4.11Å; I104-M107 WeakPolarHBondContact O-CB 3.43Å; I104-M107 PolarHBondContact O-N 3.5Å; I104-K108 PolarHBondContact O-N 3.41Å; I104-V115 HydrophobicContact CD1-CG1 4.25Å; I104-E226 HydrophobicContact CD1-CB 4.28Å; I104-E226 HydrophobicContact CG1-CB 4.2Å; I104-A229 HydrophobicContact CB-CB 4.16Å; I104-A229 HydrophobicContact CG1-CB 4.42Å; I104-A229 HydrophobicContact CG2-CB 3.89Å; I104-A230 HydrophobicContact CD1-CB 4.49Å; I104-A230 HydrophobicContact CG2-CB 4.03Å; I104-M235 HydrophobicContact CG2-SD 4.32Å
105R97.6Very high96Very high10 Ų1023.5 Ų23.54%0.03813%0.128CC..Hα-helixtrans-66.7-40175.4-55.3-50.4-170.3162.415111.2A14 V101 L102 P103 K108 L109 F159 H232 C233A14-R105 HydrophobicContact CB-CB 3.79Å; V101-R105 PolarHBondContact O-N 3.27Å; L102-R105 WeakPolarHBondContact O-CA 3.35Å; L102-R105 WeakPolarHBondContact O-CB 3.49Å; L102-R105 PolarHBondContact O-N 2.92Å; P103-R105 VanDerWaalsContact C-N 3.32Å; P103-R105 PolarHBondContact O-N 3.27Å; R105-K108 WeakPolarHBondContact O-CB 3.47Å; R105-K108 PolarHBondContact O-N 3.24Å; R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 3.44Å; R105-F159 HydrophobicContact CB-CE1 3.84Å; R105-F159 HydrophobicContact CB-CE2 4.13Å; R105-F159 HydrophobicContact CB-CZ 3.63Å; R105-F159 HydrophobicContact CG-CD2 4.47Å; R105-F159 HydrophobicContact CG-CE1 4.45Å; R105-F159 HydrophobicContact CG-CE2 4.11Å; R105-F159 HydrophobicContact CG-CZ 4.12Å; R105-H232 PolarHBondContact NH1-ND1 3.43Å; R105-H232 PolarHBondContact NH2-CE1 3.13Å; R105-H232 PolarHBondContact NH2-ND1 3Å; R105-C233 PolarHBondContact NH1-SG 2.67Å
106V97.8Very high96.4Very high0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-62.5-47173.3173.60000110.8A14 I17 I21 M83 L102 P103 I104 K108 L109 L110A14-V106 HydrophobicContact CB-CG2 4.3Å; I17-V106 HydrophobicContact CB-CG2 3.94Å; I17-V106 HydrophobicContact CD1-CG2 4.4Å; I17-V106 HydrophobicContact CG2-CB 4.38Å; I17-V106 HydrophobicContact CG2-CG1 3.89Å; I17-V106 HydrophobicContact CG2-CG2 3.52Å; I21-V106 HydrophobicContact CD1-CG1 3.64Å; M83-V106 HydrophobicContact CE-CG1 4.33Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 3.05Å; P103-V106 WeakPolarHBondContact O-CB 3.33Å; P103-V106 PolarHBondContact O-N 3.18Å; I104-V106 VanDerWaalsContact C-N 3.35Å; V106-K108 PolarHBondContact O-N 3.25Å; V106-L109 PolarHBondContact O-N 3.42Å; V106-L110 HydrophobicContact CG1-CD1 3.78Å; V106-L110 HydrophobicContact CG1-CG 4.29Å; V106-L110 WeakPolarHBondContact O-CG 3.41Å; V106-L110 PolarHBondContact O-N 3.38Å
107M98.2Very high96.8Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-51.8-44.5173.9-77.8-179.1-177.800111.3I34 M83 M85 P103 I104 L109 L110 G111 V112 V115 M235I34-M107 HydrophobicContact CG1-CE 4.13Å; M83-M107 HydrophobicContact CE-CE 4.02Å; M83-M107 HydrophobicContact CE-CG 3.61Å; M83-M107 HydrophobicContact SD-CE 4.44Å; M83-M107 HydrophobicContact SD-CG 3.7Å; M85-M107 HydrophobicContact CG-CE 4.16Å; M85-M107 HydrophobicContact SD-CE 3.76Å; P103-M107 WeakPolarHBondContact O-CB 3.49Å; P103-M107 VanDerWaalsContact O-CG 3.31Å; P103-M107 WeakPolarHBondContact O-CG 3.44Å; P103-M107 PolarHBondContact O-N 3.21Å; I104-M107 HydrophobicContact CD1-SD 4.11Å; I104-M107 WeakPolarHBondContact O-CB 3.43Å; I104-M107 PolarHBondContact O-N 3.5Å; M107-L109 PolarHBondContact O-N 3.03Å; M107-L110 PolarHBondContact O-N 3.47Å; M107-G111 PolarHBondContact O-N 2.97Å; M107-G111 VanDerWaalsContact O-N 3.14Å; M107-V112 HydrophobicContact CB-CB 3.83Å; M107-V112 HydrophobicContact CB-CG1 4.22Å; M107-V112 HydrophobicContact CB-CG2 3.86Å; M107-V112 HydrophobicContact CG-CB 4.46Å; M107-V112 HydrophobicContact CG-CG2 4.09Å; M107-V112 VanDerWaalsContact O-CB 3.31Å; M107-V112 WeakPolarHBondContact O-CB 3.22Å; M107-V112 WeakPolarHBondContact O-CG2 3.43Å; M107-V112 PolarHBondContact O-N 3.11Å; M107-V115 HydrophobicContact SD-CG1 4.36Å; M107-V115 HydrophobicContact SD-CG2 4.14Å; M107-M235 HydrophobicContact CB-CE 3.89Å
108K97.9Very high97Very high79 Ų7918.2 Ų18.234%0.34310%0.096SC..Hα-helixtrans-59.9-45.4177.9178.457.7174.2-165.50111.9I104 R105 V106 L110 G111 F159 C233 M235I104-K108 PolarHBondContact O-N 3.41Å; R105-K108 WeakPolarHBondContact O-CB 3.47Å; R105-K108 PolarHBondContact O-N 3.24Å; V106-K108 PolarHBondContact O-N 3.25Å; K108-L110 VanDerWaalsContact C-N 3.29Å; K108-L110 PolarHBondContact O-N 2.86Å; K108-G111 PolarHBondContact O-N 3.46Å; K108-F159 HydrophobicContact CB-CD1 4.41Å; K108-F159 HydrophobicContact CG-CD1 4.09Å; K108-C233 HydrophobicContact CB-CB 4.12Å; K108-C233 HydrophobicContact CD-CB 4.1Å; K108-C233 WeakPolarHBondContact CD-O 3.46Å; K108-C233 WeakPolarHBondContact CE-O 3.41Å; K108-C233 HydrophobicContact CG-CB 4.11Å; K108-C233 PolarHBondContact NZ-O 3.05Å; K108-M235 HydrophobicContact CB-CE 3.48Å; K108-M235 VanDerWaalsContact CB-CE 3.48Å; K108-M235 HydrophobicContact CD-CE 4.22Å; K108-M235 HydrophobicContact CG-CE 4.42Å
109L97.8Very high97.1Very high34 Ų3416.1 Ų16.118%0.1789%0.087CC..Hα-helixtrans-74.7-19.5-177.5-64171000113.5F11 A14 H15 A18 K22 R105 V106 M107 F159F11-L109 HydrophobicContact CE2-CD2 3.88Å; F11-L109 HydrophobicContact CZ-CD2 4.14Å; A14-L109 HydrophobicContact CB-CD1 3.75Å; H15-L109 HydrophobicContact CB-CD1 4.14Å; A18-L109 HydrophobicContact CB-CB 3.65Å; A18-L109 HydrophobicContact CB-CD1 4.34Å; K22-L109 WeakPolarHBondContact CE-O 3.39Å; K22-L109 PolarHBondContact NZ-O 3.27Å; K22-L109 VanDerWaalsContact NZ-O 3.13Å; R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 3.44Å; V106-L109 PolarHBondContact O-N 3.42Å; M107-L109 PolarHBondContact O-N 3.03Å; L109-F159 HydrophobicContact CD1-CE1 4Å; L109-F159 HydrophobicContact CD1-CZ 4.11Å; L109-F159 HydrophobicContact CD2-CE1 4.12Å; L109-F159 HydrophobicContact CG-CE1 3.92Å
110L97.9Very high97.2Very high0 Ų014.4 Ų14.40%08%0.081CC..Hα-helixtrans-83.9-15170.8-67.3174.3000113A18 I21 K22 P29 F74 M83 V106 M107 K108A18-L110 HydrophobicContact CB-CD2 4.25Å; A18-L110 HydrophobicContact CB-CG 4.38Å; I21-L110 HydrophobicContact CB-CD1 4.49Å; I21-L110 HydrophobicContact CB-CD2 4.3Å; I21-L110 HydrophobicContact CD1-CD1 4.27Å; I21-L110 HydrophobicContact CG2-CD1 3.81Å; I21-L110 HydrophobicContact CG2-CD2 3.89Å; K22-L110 HydrophobicContact CG-CD2 3.82Å; P29-L110 HydrophobicContact CG-CB 4.08Å; F74-L110 HydrophobicContact CE1-CD1 4.21Å; F74-L110 HydrophobicContact CZ-CD1 4.44Å; M83-L110 HydrophobicContact CE-CD1 4.39Å; M83-L110 HydrophobicContact SD-CD1 3.63Å; V106-L110 HydrophobicContact CG1-CD1 3.78Å; V106-L110 HydrophobicContact CG1-CG 4.29Å; V106-L110 WeakPolarHBondContact O-CG 3.41Å; V106-L110 PolarHBondContact O-N 3.38Å; M107-L110 PolarHBondContact O-N 3.47Å; K108-L110 VanDerWaalsContact C-N 3.29Å; K108-L110 PolarHBondContact O-N 2.86Å
111G96.9Very high97.4Very high35 Ų3514.5 Ų14.536%0.3618%0.082SC..THydrogen-bonded Turntrans10210.3176.800000114.9P29 M107 K108 Q113P29-G111 CarbonylContact O-C 3.46Å; M107-G111 PolarHBondContact O-N 2.97Å; M107-G111 VanDerWaalsContact O-N 3.14Å; K108-G111 PolarHBondContact O-N 3.46Å; G111-Q113 PolarHBondContact O-N 3.06Å
112V98.2Very high97.4Very high4 Ų414.7 Ų14.72%0.0248%0.084CC..  trans-60.6132.2175.3173.90000110P29 G32 M107 T114 V115 M235P29-V112 HydrophobicContact CB-CG2 4.12Å; P29-V112 HydrophobicContact CG-CG2 3.9Å; P29-V112 WeakPolarHBondContact O-CA 3.34Å; P29-V112 WeakPolarHBondContact O-CG2 3.48Å; P29-V112 PolarHBondContact O-N 3.29Å; G32-V112 VanDerWaalsContact N-CG1 3.33Å; M107-V112 HydrophobicContact CB-CB 3.83Å; M107-V112 HydrophobicContact CB-CG1 4.22Å; M107-V112 HydrophobicContact CB-CG2 3.86Å; M107-V112 HydrophobicContact CG-CB 4.46Å; M107-V112 HydrophobicContact CG-CG2 4.09Å; M107-V112 VanDerWaalsContact O-CB 3.31Å; M107-V112 WeakPolarHBondContact O-CB 3.22Å; M107-V112 WeakPolarHBondContact O-CG2 3.43Å; M107-V112 PolarHBondContact O-N 3.11Å; V112-T114 WeakPolarHBondContact CG1-O 3.43Å; V112-V115 HydrophobicContact CG1-CG2 4.04Å; V112-M235 HydrophobicContact CB-CE 4.28Å; V112-M235 HydrophobicContact CG1-CE 4.45Å; V112-M235 WeakPolarHBondContact O-CE 3.2Å
113Q96.8Very high97.5Very high102 Ų10214.4 Ų14.448%0.4778%0.083SC..  trans-113.1-26.3179.8-58.9-177.24.600112.5A30 G111 M235 K236A30-Q113 PolarHBondContact O-N 2.71Å; G111-Q113 PolarHBondContact O-N 3.06Å; Q113-M235 WeakPolarHBondContact O-CA 3.25Å; Q113-K236 PolarHBondContact O-N 2.99Å
114T98.4Very high97.5Very high2 Ų214.4 Ų14.41%0.0128%0.083CC..EExtended strand (participates in β ladder)trans-122.5137.6179.4-60.90000109.8A30 L31 G32 V112 Y174 K236 W285A30-T114 PolarHBondContact O-N 3.39Å; L31-T114 WeakPolarHBondContact CA-O 3.3Å; L31-T114 HydrophobicContact CD1-CG2 3.63Å; G32-T114 PolarHBondContact N-O 3.45Å; V112-T114 WeakPolarHBondContact CG1-O 3.43Å; T114-Y174 HydrophobicContact CG2-CD2 4.17Å; T114-Y174 HydrophobicContact CG2-CE2 3.49Å; T114-Y174 VanDerWaalsContact CG2-CE2 3.49Å; T114-Y174 PolarHBondContact OG1-OH 3.06Å; T114-Y174 VanDerWaalsContact OG1-OH 3.12Å; T114-K236 CarbonylContact C-O 3.54Å; T114-K236 VanDerWaalsContact CA-O 3.32Å; T114-K236 WeakPolarHBondContact CA-O 3.24Å; T114-W285 PolarHBondContact OG1-NE1 3.26Å
115V98.6Very high97.5Very high0 Ų016.1 Ų16.10%09%0.092CC..EExtended strand (participates in β ladder)trans-124128.6175.1-173.60000109.7G32 I34 I104 M107 V112 I117 A230 M235 K236 V237 L238G32-V115 CarbonylContact O-C 3.59Å; G32-V115 VanDerWaalsContact O-CA 3.29Å; G32-V115 WeakPolarHBondContact O-CA 3.43Å; I34-V115 HydrophobicContact CD1-CG1 4.37Å; I34-V115 HydrophobicContact CG1-CG1 4.32Å; I104-V115 HydrophobicContact CD1-CG1 4.25Å; M107-V115 HydrophobicContact SD-CG1 4.36Å; M107-V115 HydrophobicContact SD-CG2 4.14Å; V112-V115 HydrophobicContact CG1-CG2 4.04Å; V115-I117 HydrophobicContact CG1-CD1 4.24Å; V115-I117 HydrophobicContact CG1-CG1 3.68Å; V115-A230 HydrophobicContact CG2-CB 4.45Å; V115-M235 HydrophobicContact CG2-CB 4.36Å; V115-M235 HydrophobicContact CG2-SD 3.49Å; V115-M235 WeakPolarHBondContact CG2-SD 3.23Å; V115-K236 PolarHBondContact N-O 3.28Å; V115-V237 CarbonylContact O-C 3.44Å; V115-V237 WeakPolarHBondContact O-CA 3.4Å; V115-L238 PolarHBondContact O-N 3.23Å
116I98.6Very high97.4Very high0 Ų020.2 Ų20.20%012%0.12CC..EExtended strand (participates in β ladder)trans-101122168-63.6166.9000107.8L31 G32 I33 I34 T118 L238 F240 L278 F281 V282L31-I116 HydrophobicContact CD1-CD1 3.86Å; L31-I116 HydrophobicContact CD1-CG1 3.99Å; L31-I116 HydrophobicContact CD2-CD1 4.1Å; L31-I116 HydrophobicContact CG-CD1 4.45Å; G32-I116 PolarHBondContact O-N 2.82Å; I33-I116 CarbonylContact C-O 3.56Å; I33-I116 WeakPolarHBondContact CA-O 3.4Å; I33-I116 HydrophobicContact CG1-CB 4.37Å; I34-I116 PolarHBondContact N-O 3.03Å; I116-T118 HydrophobicContact CG2-CG2 4.18Å; I116-L238 CarbonylContact C-O 3.49Å; I116-L238 VanDerWaalsContact CA-O 3.31Å; I116-L238 WeakPolarHBondContact CA-O 3.04Å; I116-L238 HydrophobicContact CG1-CB 4.35Å; I116-F240 HydrophobicContact CG2-CD2 4.24Å; I116-F240 HydrophobicContact CG2-CE2 4.23Å; I116-L278 HydrophobicContact CD1-CD2 4.3Å; I116-L278 HydrophobicContact CG2-CD2 3.9Å; I116-F281 HydrophobicContact CD1-CD1 4.01Å; I116-F281 HydrophobicContact CD1-CE1 3.94Å; I116-F281 HydrophobicContact CG1-CE1 4.44Å; I116-V282 HydrophobicContact CD1-CG2 4.34Å
117I98.4Very high97.3Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-116.3130179.1-48.7176000108.1I34 V115 T223 E226 A227 V237 L238 G239 F240I34-I117 HydrophobicContact CB-CG2 4.31Å; I34-I117 HydrophobicContact CD1-CG1 4.3Å; V115-I117 HydrophobicContact CG1-CD1 4.24Å; V115-I117 HydrophobicContact CG1-CG1 3.68Å; I117-T223 HydrophobicContact CB-CG2 4.32Å; I117-T223 HydrophobicContact CG2-CG2 3.71Å; I117-E226 HydrophobicContact CD1-CB 3.9Å; I117-A227 HydrophobicContact CD1-CB 4.12Å; I117-V237 HydrophobicContact CD1-CG1 3.83Å; I117-V237 HydrophobicContact CG1-CG1 4.23Å; I117-L238 PolarHBondContact N-O 2.91Å; I117-G239 CarbonylContact O-C 3.46Å; I117-G239 VanDerWaalsContact O-CA 3.29Å; I117-G239 WeakPolarHBondContact O-CA 3.2Å; I117-F240 PolarHBondContact O-N 2.68Å
118T97.1Very high97.2Very high0 Ų027.6 Ų27.60%016%0.156CC..EExtended strand (participates in β ladder)trans-122.7150.8-178.962.60000110.6I34 C35 G36 L39 R88 I116 F240 L274 L278I34-T118 PolarHBondContact O-N 2.96Å; I34-T118 PolarHBondContact O-OG1 3.45Å; C35-T118 WeakPolarHBondContact CA-OG1 3.2Å; G36-T118 PolarHBondContact N-O 3.5Å; G36-T118 PolarHBondContact N-OG1 2.78Å; L39-T118 HydrophobicContact CD1-CG2 3.93Å; L39-T118 VanDerWaalsContact CD1-OG1 3.28Å; L39-T118 WeakPolarHBondContact CD1-OG1 3.39Å; R88-T118 PolarHBondContact NH1-O 3.23Å; R88-T118 PolarHBondContact NH2-O 2.95Å; I116-T118 HydrophobicContact CG2-CG2 4.18Å; T118-F240 CarbonylContact C-O 3.59Å; T118-F240 VanDerWaalsContact CA-O 3.27Å; T118-F240 WeakPolarHBondContact CA-O 3.42Å; T118-F240 HydrophobicContact CG2-CB 4.42Å; T118-F240 HydrophobicContact CG2-CD2 4.43Å; T118-L274 HydrophobicContact CG2-CD2 4.22Å; T118-L278 HydrophobicContact CG2-CD1 4.46Å
119N96Very high97.1Very high2 Ų230.7 Ų30.71%0.01117%0.169CC..EExtended strand (participates in β ladder)trans-151.4166.8174.662.464.2000112Y194 T223 F240 S241 I242N119-Y194 WeakPolarHBondContact OD1-CE2 3.25Å; N119-T223 WeakPolarHBondContact CB-OG1 3.26Å; N119-T223 PolarHBondContact ND2-OG1 2.95Å; N119-F240 PolarHBondContact N-O 3.19Å; N119-F240 PolarHBondContact ND2-O 3.1Å; N119-S241 VanDerWaalsContact CG-OG 3.3Å; N119-S241 PolarHBondContact ND2-OG 3.28Å; N119-S241 WeakPolarHBondContact O-CA 3.18Å; N119-S241 WeakPolarHBondContact OD1-CA 3.5Å; N119-S241 WeakPolarHBondContact OD1-CB 3.36Å; N119-S241 PolarHBondContact OD1-OG 3Å; N119-I242 PolarHBondContact O-N 2.85Å
120A94.8Very high97Very high22 Ų2232.5 Ų32.518%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-88.6140.3157.900000108.5A244 V263 M267A120-A244 HydrophobicContact CB-CB 4.28Å; A120-V263 HydrophobicContact CB-CG1 3.71Å; A120-M267 HydrophobicContact CB-CE 3.91Å; A120-M267 HydrophobicContact CB-CG 3.84Å; A120-M267 HydrophobicContact CB-SD 3.53Å; A120-M267 VanDerWaalsContact CB-SD 3.53Å
121A96.6Very high96.8Very high3 Ų333.7 Ų33.73%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-141149.618000000111.9Y194 A218 V219 I242 I243 A244A121-Y194 HydrophobicContact CB-CD2 4.3Å; A121-Y194 HydrophobicContact CB-CE2 3.9Å; A121-A218 HydrophobicContact CB-CB 3.92Å; A121-V219 CarbonylContact C-O 3.53Å; A121-V219 VanDerWaalsContact CA-O 3.23Å; A121-V219 WeakPolarHBondContact CA-O 3.16Å; A121-V219 WeakPolarHBondContact CB-O 3.46Å; A121-I242 PolarHBondContact N-O 3.28Å; A121-I243 CarbonylContact O-C 3.49Å; A121-I243 WeakPolarHBondContact O-CA 3.44Å; A121-A244 PolarHBondContact O-N 2.77Å
122G96.7Very high96.9Very high6 Ų632.9 Ų32.96%0.06218%0.181CC..EExtended strand (participates in β ladder)trans-76.5134.8164.900000110.5L124 A218 V219 N245 V247G122-L124 PolarHBondContact O-N 3.31Å; G122-A218 CarbonylContact O-C 3.38Å; G122-A218 WeakPolarHBondContact O-CA 3.19Å; G122-V219 PolarHBondContact N-O 3.02Å; G122-V219 PolarHBondContact O-N 3.43Å; G122-N245 WeakPolarHBondContact CA-OD1 3.46Å; G122-V247 VanDerWaalsContact CA-CG2 3.49Å
123G97.5Very high96.8Very high2 Ų232.9 Ų32.92%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-76.9111.6175.600000111.1N245 V247G123-N245 PolarHBondContact N-O 3.28Å; G123-V247 PolarHBondContact O-N 3.2Å
124L98Very high96.9Very high0 Ų028 Ų280%016%0.158CC..  trans-86.2-34.6170.4-67.6173.1000110.7G122 P126 A208 L211 R212 G216 D217 V219 V247G122-L124 PolarHBondContact O-N 3.31Å; L124-P126 WeakPolarHBondContact O-CD 3.33Å; L124-A208 HydrophobicContact CD2-CB 3.97Å; L124-L211 HydrophobicContact CD1-CB 3.62Å; L124-L211 HydrophobicContact CD1-CD1 4.47Å; L124-R212 HydrophobicContact CB-CB 4.43Å; L124-R212 PolarHBondContact O-NE 3.38Å; L124-R212 PolarHBondContact O-NH2 2.95Å; L124-G216 WeakPolarHBondContact CB-O 3.39Å; L124-D217 PolarHBondContact N-O 3.03Å; L124-V219 HydrophobicContact CD1-CB 3.93Å; L124-V219 HydrophobicContact CD1-CG1 4.41Å; L124-V219 HydrophobicContact CD2-CG1 4.17Å; L124-V219 HydrophobicContact CG-CB 4.14Å; L124-V219 HydrophobicContact CG-CG1 4.09Å; L124-V247 HydrophobicContact CD2-CB 4.05Å; L124-V247 HydrophobicContact CD2-CG1 4.14Å; L124-V247 HydrophobicContact CD2-CG2 4.34Å
125N97.6Very high96.9Very high38 Ų3828 Ų2820%0.20316%0.158CC..SBendtrans-72.9121.3178.9-171.3-36.7000110.3M127 Y128 D217N125-M127 PolarHBondContact O-N 3.14Å; N125-M127 WeakPolarHBondContact OD1-CB 3.29Å; N125-M127 PolarHBondContact OD1-N 3.49Å; N125-Y128 HydrophobicContact CB-CD1 3.98Å; N125-Y128 HydrophobicContact CB-CD2 3.87Å; N125-Y128 HydrophobicContact CB-CE1 4.06Å; N125-Y128 HydrophobicContact CB-CE2 3.98Å; N125-Y128 HydrophobicContact CB-CG 3.88Å; N125-Y128 WeakPolarHBondContact O-CB 3.38Å; N125-Y128 PolarHBondContact O-N 3Å; N125-D217 HydrophobicContact CB-CB 4.11Å; N125-D217 PolarHBondContact N-O 3.4Å; N125-D217 PolarHBondContact ND2-OD1 3.41Å
126P94.8Very high96.9Very high95 Ų9528 Ų2862%0.61716%0.158SC*.THydrogen-bonded Turntrans-64.8-14-177.327.4-36000113.9L124 Y128L124-P126 WeakPolarHBondContact O-CD 3.33Å; P126-Y128 VanDerWaalsContact C-N 3.31Å
127M96.7Very high96.9Very high143 Ų14333.1 Ų33.170%0.70418%0.18SC*.THydrogen-bonded Turntrans-81.3-11.9174.2-61.7-60-62.900113.1N125N125-M127 PolarHBondContact O-N 3.14Å; N125-M127 WeakPolarHBondContact OD1-CB 3.29Å; N125-M127 PolarHBondContact OD1-N 3.49Å
128Y97Very high96.9Very high12 Ų1236.2 Ų36.25%0.04720%0.197CC..  trans-85.1144.1179.6-682.2000110.4N125 P126 M134 Q190 E191 D217 I243N125-Y128 HydrophobicContact CB-CD1 3.98Å; N125-Y128 HydrophobicContact CB-CD2 3.87Å; N125-Y128 HydrophobicContact CB-CE1 4.06Å; N125-Y128 HydrophobicContact CB-CE2 3.98Å; N125-Y128 HydrophobicContact CB-CG 3.88Å; N125-Y128 WeakPolarHBondContact O-CB 3.38Å; N125-Y128 PolarHBondContact O-N 3Å; P126-Y128 VanDerWaalsContact C-N 3.31Å; Y128-M134 HydrophobicContact CE2-CB 4.44Å; Y128-M134 HydrophobicContact CE2-CG 4.08Å; Y128-M134 HydrophobicContact CE2-SD 3.53Å; Y128-M134 VanDerWaalsContact CE2-SD 3.53Å; Y128-Q190 HydrophobicContact CD1-CB 4.33Å; Y128-Q190 HydrophobicContact CD1-CG 3.83Å; Y128-Q190 HydrophobicContact CE1-CB 3.75Å; Y128-Q190 HydrophobicContact CE1-CG 3.74Å; Y128-Q190 HydrophobicContact CE2-CB 4.47Å; Y128-Q190 HydrophobicContact CG-CG 4.44Å; Y128-E191 PolarHBondContact OH-O 3.47Å; Y128-D217 HydrophobicContact CE2-CB 3.69Å; Y128-I243 HydrophobicContact CD2-CD1 3.85Å; Y128-I243 HydrophobicContact CD2-CG1 4.02Å; Y128-I243 HydrophobicContact CE2-CD1 4.46Å; Y128-I243 HydrophobicContact CG-CG1 4.5Å
129K95.6Very high97Very high144 Ų14437.5 Ų37.563%0.62620%0.202SC*.  trans-116.9152.8178.5-59.6-174.3179.7-170.50110G131 D132K129-G131 PolarHBondContact O-N 3.21Å; K129-D132 PolarHBondContact N-OD2 2.84Å; K129-D132 WeakPolarHBondContact O-CB 3.25Å; K129-D132 PolarHBondContact O-N 3.06Å
130V94.8Very high97.1Very high73 Ų7338.7 Ų38.744%0.44221%0.209SC..THydrogen-bonded Turntrans-51.6128.3169.6177.30000109.9I243 A244 V266V130-I243 CarbonylContact C-O 3.6Å; V130-I243 WeakPolarHBondContact CA-O 3.32Å; V130-A244 WeakPolarHBondContact CG1-O 3.43Å; V130-V266 HydrophobicContact CG1-CB 4.23Å; V130-V266 HydrophobicContact CG1-CG1 3.53Å; V130-V266 HydrophobicContact CG1-CG2 3.61Å
131G94.9Very high97.2Very high24 Ų2438.1 Ų38.125%0.24720%0.204CC..THydrogen-bonded Turntrans84.4-3.2-174.800000115.8K129 I243K129-G131 PolarHBondContact O-N 3.21Å; G131-I243 PolarHBondContact N-O 2.92Å
132D97.2Very high97.2Very high19 Ų1940.7 Ų40.710%0.10222%0.216CC..  trans-61.8140.9169.3-85.8-16.4000109.6K129 K188 Q190 I243K129-D132 PolarHBondContact N-OD2 2.84Å; K129-D132 WeakPolarHBondContact O-CB 3.25Å; K129-D132 PolarHBondContact O-N 3.06Å; D132-K188 VanDerWaalsContact CG-NZ 3.35Å; D132-K188 IonicContact OD1-NZ 2.77Å; D132-K188 PolarHBondContact OD1-NZ 2.59Å; D132-K188 IonicContact OD2-NZ 2.95Å; D132-K188 PolarHBondContact OD2-NZ 3.04Å; D132-Q190 HydrophobicContact CB-CG 4.05Å; D132-Q190 PolarHBondContact OD2-NE2 2.84Å; D132-I243 HydrophobicContact CB-CB 4.47Å; D132-I243 HydrophobicContact CB-CG1 4.17Å; D132-I243 PolarHBondContact O-N 3.11Å
133I97.6Very high97.2Very high4 Ų440.9 Ų40.92%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-95.9122.6171.3-58167.3000107.5I187 L189 Q190 F240 I242 K273 L274 L277I133-I187 HydrophobicContact CD1-CG2 4.49Å; I133-L189 HydrophobicContact CB-CD1 4.16Å; I133-L189 HydrophobicContact CG2-CD1 3.67Å; I133-Q190 PolarHBondContact O-N 2.82Å; I133-F240 HydrophobicContact CG2-CD1 4.14Å; I133-I242 HydrophobicContact CG1-CG1 4.4Å; I133-K273 HydrophobicContact CD1-CB 3.7Å; I133-L274 HydrophobicContact CD1-CB 3.89Å; I133-L274 HydrophobicContact CG1-CB 4.48Å; I133-L274 HydrophobicContact CG2-CD1 4.02Å; I133-L277 HydrophobicContact CD1-CD1 4.25Å
134M98.5Very high97Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-105.1120.8173.4-174.1-171.969.100110.5Y128 I136 Q190 Y194 D217 A218 F240 S241 I243Y128-M134 HydrophobicContact CE2-CB 4.44Å; Y128-M134 HydrophobicContact CE2-CG 4.08Å; Y128-M134 HydrophobicContact CE2-SD 3.53Å; Y128-M134 VanDerWaalsContact CE2-SD 3.53Å; M134-I136 HydrophobicContact CE-CG1 4.14Å; M134-Q190 HydrophobicContact CB-CB 4.17Å; M134-Q190 HydrophobicContact CG-CB 4.24Å; M134-Y194 HydrophobicContact CE-CD2 4.4Å; M134-D217 HydrophobicContact SD-CB 4.07Å; M134-A218 HydrophobicContact CE-CB 3.52Å; M134-A218 HydrophobicContact SD-CB 3.97Å; M134-F240 CarbonylContact O-C 3.59Å; M134-F240 VanDerWaalsContact O-CA 3.32Å; M134-F240 WeakPolarHBondContact O-CA 3.33Å; M134-S241 PolarHBondContact N-O 3.34Å; M134-S241 PolarHBondContact O-N 3.21Å; M134-I243 HydrophobicContact CB-CD1 4.49Å
135L98.8Very high96.9Very high0 Ų049 Ų490%026%0.261CS..EExtended strand (participates in β ladder)trans-73.9123.2162.9178.666000109.3K137 R175 M178 K179 L189 Q190 E191 G192 L238 F240L135-K137 PolarHBondContact O-N 2.9Å; L135-R175 HydrophobicContact CD1-CG 4.21Å; L135-R175 HydrophobicContact CD2-CB 3.84Å; L135-R175 HydrophobicContact CD2-CG 4.05Å; L135-R175 HydrophobicContact CG-CG 4.22Å; L135-M178 HydrophobicContact CD1-CG 4.33Å; L135-K179 HydrophobicContact CD2-CD 4.32Å; L135-K179 HydrophobicContact CD2-CG 3.89Å; L135-L189 HydrophobicContact CB-CD1 4.13Å; L135-L189 HydrophobicContact CB-CD2 4.1Å; L135-L189 HydrophobicContact CB-CG 4.13Å; L135-L189 HydrophobicContact CD2-CD2 4.19Å; L135-Q190 WeakPolarHBondContact CB-O 3.25Å; L135-Q190 PolarHBondContact N-O 2.87Å; L135-E191 WeakPolarHBondContact O-CA 3.45Å; L135-G192 PolarHBondContact O-N 3.02Å; L135-G192 VanDerWaalsContact O-N 3.15Å; L135-L238 HydrophobicContact CD1-CD1 3.62Å; L135-L238 HydrophobicContact CD1-CG 4.49Å; L135-F240 HydrophobicContact CB-CE1 4.47Å; L135-F240 HydrophobicContact CD1-CD1 4.18Å; L135-F240 HydrophobicContact CD1-CE1 3.58Å; L135-F240 HydrophobicContact CD1-CZ 3.86Å
136I98.8Very high96.7Very high0 Ų051.2 Ų51.20%029%0.285CS..EExtended strand (participates in β ladder)trans-76.5117.7-179.5-51.4175.4000109M134 D138 Y170 R175 Y194 T223 G239M134-I136 HydrophobicContact CE-CG1 4.14Å; I136-D138 WeakPolarHBondContact CG2-O 3.35Å; I136-Y170 HydrophobicContact CB-CD1 4.04Å; I136-Y170 HydrophobicContact CB-CE1 3.88Å; I136-Y170 HydrophobicContact CB-CE2 4.42Å; I136-Y170 HydrophobicContact CB-CG 4.37Å; I136-Y170 HydrophobicContact CD1-CE1 4.27Å; I136-Y170 HydrophobicContact CG2-CD1 4.08Å; I136-Y170 HydrophobicContact CG2-CD2 3.87Å; I136-Y170 HydrophobicContact CG2-CE1 3.67Å; I136-Y170 HydrophobicContact CG2-CE2 3.43Å; I136-Y170 VanDerWaalsContact CG2-CE2 3.43Å; I136-Y170 HydrophobicContact CG2-CG 4.16Å; I136-Y170 VanDerWaalsContact O-CB 3.31Å; I136-Y170 WeakPolarHBondContact O-CB 3.49Å; I136-R175 VanDerWaalsContact O-CD 3.3Å; I136-R175 WeakPolarHBondContact O-CD 3.41Å; I136-Y194 HydrophobicContact CD1-CG 4.23Å; I136-T223 HydrophobicContact CD1-CG2 3.91Å; I136-G239 PolarHBondContact N-O 3.05Å
137K98.4Very high96.4Very high108 Ų10848.9 Ų48.947%0.4728%0.278SS..EExtended strand (participates in β ladder)trans-88.2-39.9175.5167.5178.8174-162.80111.9L135 E191 G192L135-K137 PolarHBondContact O-N 2.9Å; K137-E191 HydrophobicContact CB-CG 3.74Å; K137-E191 HydrophobicContact CD-CG 4.33Å; K137-G192 PolarHBondContact N-O 3.19Å
138D98.6Very high96.1Very high65 Ų6545 Ų4535%0.34826%0.263SS..EExtended strand (participates in β ladder)trans-155.4176.7-179.9-147.1-19.3000110.5I136 I193 Y194I136-D138 WeakPolarHBondContact CG2-O 3.35Å; D138-I193 HydrophobicContact CB-CG1 4.22Å; D138-I193 WeakPolarHBondContact O-CA 3.5Å; D138-Y194 PolarHBondContact O-N 3.44Å
139H98.6Very high95.9Very high27 Ų2744.9 Ų44.913%0.12527%0.266CS..EExtended strand (participates in β ladder)trans-135.9159.7175.660.2-138.4000114.7Y170 Y194 V224H139-Y170 HydrophobicContact CB-CE2 4.02Å; H139-Y170 AromaticContact CG-CE2 3.96Å; H139-Y170 AromaticContact ND1-CE2 3.52Å; H139-Y170 AromaticContact ND1-CZ 3.59Å; H139-Y170 PolarHBondContact ND1-OH 2.94Å; H139-Y194 CarbonylContact C-O 3.55Å; H139-Y194 WeakPolarHBondContact CA-O 3.42Å; H139-Y194 WeakPolarHBondContact CB-O 3.33Å; H139-V224 HydrophobicContact CB-CG1 4.42Å; H139-V224 HydrophobicContact CB-CG2 3.6Å
140I98.2Very high95.9Very high28 Ų2838.2 Ų38.214%0.14424%0.237CC..EExtended strand (participates in β ladder)trans-112.9114.7163.4-59.7172.5000107.1M142 L145 I193 Y194 S195 M196 L214I140-M142 HydrophobicContact CG2-CG 4.04Å; I140-M142 HydrophobicContact CG2-SD 3.79Å; I140-M142 PolarHBondContact O-N 2.86Å; I140-L145 HydrophobicContact CG2-CD1 4.3Å; I140-I193 HydrophobicContact CD1-CG2 4.19Å; I140-I193 HydrophobicContact CG1-CG2 3.87Å; I140-Y194 PolarHBondContact N-O 2.82Å; I140-S195 CarbonylContact O-C 3.54Å; I140-S195 WeakPolarHBondContact O-CA 3.49Å; I140-M196 PolarHBondContact O-N 3.29Å; I140-L214 HydrophobicContact CD1-CB 4.19Å
141A97.4Very high95.9Very high10 Ų1036.8 Ų36.88%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-9569.2-176.300000110.9C144 L145 V224 I228A141-C144 HydrophobicContact CB-CB 3.78Å; A141-C144 WeakPolarHBondContact O-CA 3.43Å; A141-C144 PolarHBondContact O-N 3.5Å; A141-L145 WeakPolarHBondContact O-CG 3.32Å; A141-L145 PolarHBondContact O-N 3.2Å; A141-V224 HydrophobicContact CB-CG1 3.42Å; A141-V224 VanDerWaalsContact CB-CG1 3.42Å; A141-I228 HydrophobicContact CB-CD1 4.35Å
142M96.6Very high95.8Very high56 Ų5639.6 Ų39.628%0.27624%0.239SC..Hα-helixtrans-51.2-47-170.6-69.3-65.7-68.100113.6I140 C144 L145 A146 M196 M210 L211I140-M142 HydrophobicContact CG2-CG 4.04Å; I140-M142 HydrophobicContact CG2-SD 3.79Å; I140-M142 PolarHBondContact O-N 2.86Å; M142-C144 VanDerWaalsContact C-N 3.33Å; M142-C144 PolarHBondContact O-N 3.47Å; M142-L145 PolarHBondContact O-N 3.12Å; M142-A146 PolarHBondContact O-N 3.26Å; M142-M196 WeakPolarHBondContact CB-O 3.47Å; M142-M196 PolarHBondContact N-O 2.89Å; M142-M210 HydrophobicContact CE-CE 3.89Å; M142-L211 HydrophobicContact CG-CD2 3.72Å; M142-L211 HydrophobicContact SD-CD2 4.06Å
143P95.1Very high95.6Very high10 Ų1040.8 Ų40.87%0.06526%0.256CS..Hα-helixtrans-58.1-41.9174.4-28.137.2000113.6M97 L145 A146 G147 P148 M196 F198M97-P143 HydrophobicContact CE-CB 3.61Å; M97-P143 HydrophobicContact CE-CG 4.45Å; P143-L145 VanDerWaalsContact C-N 3.32Å; P143-L145 PolarHBondContact O-N 3.16Å; P143-A146 CarbonylContact O-C 3.56Å; P143-A146 PolarHBondContact O-N 3.12Å; P143-A146 VanDerWaalsContact O-N 3.09Å; P143-G147 PolarHBondContact O-N 3.16Å; P143-G147 VanDerWaalsContact O-N 3.17Å; P143-P148 CarbonylContact C-O 3.54Å; P143-P148 VanDerWaalsContact C-O 3.24Å; P143-P148 VanDerWaalsContact O-CD 3.24Å; P143-P148 WeakPolarHBondContact O-CD 3.46Å; P143-M196 WeakPolarHBondContact CD-O 3.25Å; P143-M196 HydrophobicContact CG-CE 4.4Å; P143-F198 HydrophobicContact CB-CD2 4.21Å; P143-F198 HydrophobicContact CG-CB 4.16Å; P143-F198 HydrophobicContact CG-CD2 4.19Å
144C95Very high95.3Very high37 Ų3752.3 Ų52.325%0.2530%0.299CS..Hα-helixtrans-70.9-27.6-178.3-580000113.4A141 M142 A146 P148A141-C144 HydrophobicContact CB-CB 3.78Å; A141-C144 WeakPolarHBondContact O-CA 3.43Å; A141-C144 PolarHBondContact O-N 3.5Å; M142-C144 VanDerWaalsContact C-N 3.33Å; M142-C144 PolarHBondContact O-N 3.47Å; C144-A146 VanDerWaalsContact C-N 3.26Å; C144-P148 WeakPolarHBondContact CA-O 3.48Å; C144-P148 PolarHBondContact N-O 3.27Å; C144-P148 PolarHBondContact SG-O 3.35Å
145L94.7Very high95.1Very high135 Ų13553.6 Ų53.671%0.70731%0.306SS*.Hα-helixtrans-72.5-22.6172-62.2176.9000112.2I140 A141 M142 P143I140-L145 HydrophobicContact CG2-CD1 4.3Å; A141-L145 WeakPolarHBondContact O-CG 3.32Å; A141-L145 PolarHBondContact O-N 3.2Å; M142-L145 PolarHBondContact O-N 3.12Å; P143-L145 VanDerWaalsContact C-N 3.32Å; P143-L145 PolarHBondContact O-N 3.16Å
146A92.6Very high94.9Very high85 Ų8555 Ų5570%0.70231%0.313SS*.SBendtrans-101.72.4-178.300000114.4M142 P143 C144M142-A146 PolarHBondContact O-N 3.26Å; P143-A146 CarbonylContact O-C 3.56Å; P143-A146 PolarHBondContact O-N 3.12Å; P143-A146 VanDerWaalsContact O-N 3.09Å; C144-A146 VanDerWaalsContact C-N 3.26Å
147G88.6Confident94.7Very high46 Ų4662.9 Ų62.947%0.47435%0.349SS..SBendtrans127.5-58175.600000114.1P143 G149 V152P143-G147 PolarHBondContact O-N 3.16Å; P143-G147 VanDerWaalsContact O-N 3.17Å; G147-G149 PolarHBondContact O-N 3.15Å; G147-V152 VanDerWaalsContact O-CG2 3.27Å; G147-V152 WeakPolarHBondContact O-CG2 3.38Å
148P90.5Very high94.6Very high62 Ų6263.7 Ų63.740%0.40335%0.349SS..  trans-60.5124-179.7-27.234.8000113.8M97 P143 C144M97-P148 HydrophobicContact CE-CB 3.67Å; M97-P148 HydrophobicContact SD-CB 4.31Å; P143-P148 CarbonylContact C-O 3.54Å; P143-P148 VanDerWaalsContact C-O 3.24Å; P143-P148 VanDerWaalsContact O-CD 3.24Å; P143-P148 WeakPolarHBondContact O-CD 3.46Å; C144-P148 WeakPolarHBondContact CA-O 3.48Å; C144-P148 PolarHBondContact N-O 3.27Å; C144-P148 PolarHBondContact SG-O 3.35Å
149G93.5Very high94.5Very high9 Ų961 Ų619%0.09333%0.334CS..  trans-156.7155.2179.300000113.4M97 Q98 G147 L151 V152M97-G149 WeakPolarHBondContact SD-CA 3.49Å; M97-G149 PolarHBondContact SD-N 3.41Å; Q98-G149 PolarHBondContact NE2-O 3.07Å; G147-G149 PolarHBondContact O-N 3.15Å; G149-L151 PolarHBondContact O-N 3.3Å; G149-L151 VanDerWaalsContact O-N 3.15Å; G149-V152 WeakPolarHBondContact O-CB 3.38Å; G149-V152 WeakPolarHBondContact O-CG2 3.38Å; G149-V152 PolarHBondContact O-N 2.9Å
150P94.8Very high94.4Very high5 Ų560.5 Ų60.53%0.03234%0.337CS..THydrogen-bonded Turntrans-68-12.8179.929.5-36.9000113.6M97 V101 H225 I228M97-P150 HydrophobicContact CB-CB 4.38Å; V101-P150 HydrophobicContact CB-CB 4.45Å; V101-P150 HydrophobicContact CG1-CB 3.77Å; V101-P150 HydrophobicContact CG2-CB 3.89Å; P150-H225 HydrophobicContact CB-CB 4.5Å; P150-H225 HydrophobicContact CG-CB 4.17Å; P150-I228 HydrophobicContact CG-CB 3.97Å; P150-I228 HydrophobicContact CG-CG2 3.65Å
151L95Very high94.4Very high43 Ų4363.4 Ų63.423%0.22536%0.356CS..THydrogen-bonded Turntrans-107.44179.6-48.4-170.7000113G149 P164 M166 I228 H232G149-L151 PolarHBondContact O-N 3.3Å; G149-L151 VanDerWaalsContact O-N 3.15Å; L151-P164 HydrophobicContact CD1-CG 3.61Å; L151-M166 HydrophobicContact CD1-CE 4.44Å; L151-I228 HydrophobicContact CD1-CG2 3.83Å; L151-I228 HydrophobicContact CD2-CG2 4.39Å; L151-I228 HydrophobicContact CG-CG2 3.83Å; L151-H232 HydrophobicContact CD1-CB 4.16Å; L151-H232 HydrophobicContact CD2-CB 3.93Å; L151-H232 WeakPolarHBondContact CD2-ND1 3.42Å
152V93.4Very high94.3Very high82 Ų8267.8 Ų67.850%0.49737%0.371SS..  trans-69.7140.8175.3176.20000109.4Q98 G147 G149Q98-V152 PolarHBondContact NE2-O 3.37Å; G147-V152 VanDerWaalsContact O-CG2 3.27Å; G147-V152 WeakPolarHBondContact O-CG2 3.38Å; G149-V152 WeakPolarHBondContact O-CB 3.38Å; G149-V152 WeakPolarHBondContact O-CG2 3.38Å; G149-V152 PolarHBondContact O-N 2.9Å
153G92.3Very high94.3Very high44 Ų4473.3 Ų73.345%0.45439%0.393SS..SBendtrans105.6-158.1-175.800000112.6R162G153-R162 PolarHBondContact O-NH1 3.09Å; G153-R162 PolarHBondContact O-NH2 2.96Å; G153-R162 VanDerWaalsContact O-NH2 3.11Å
154R92.1Very high94.4Very high246 Ų24674 Ų7493%0.92840%0.398SS*.SBendtrans-71.1137.6176.8177.4175.9169.1138.7-0.3109.8
155N94.7Very high94.5Very high28 Ų2876.2 Ų76.215%0.1541%0.414CS..  trans-73143.7174-168.154.4000111.7G160 R162 H232N155-G160 PolarHBondContact ND2-O 3.21Å; N155-R162 HydrophobicContact CB-CB 4.37Å; N155-R162 PolarHBondContact ND2-N 3.29Å; N155-H232 PolarHBondContact OD1-CE1 2.93Å; N155-H232 PolarHBondContact OD1-NE2 3.5Å
156E94.1Very high94.6Very high30 Ų3072.6 Ų72.614%0.1439%0.394CS..  trans-106.196.4168.917851.6-102.400109.3F11 R158 F159 G160F11-E156 HydrophobicContact CB-CG 3.91Å; F11-E156 WeakPolarHBondContact CB-OE2 3.47Å; F11-E156 HydrophobicContact CD2-CG 4.15Å; F11-E156 HydrophobicContact CG-CG 4.46Å; E156-R158 VanDerWaalsContact CD-NE 3.35Å; E156-R158 HydrophobicContact CG-CB 4.41Å; E156-R158 PolarHBondContact O-N 3.48Å; E156-R158 VanDerWaalsContact OE1-CB 3.27Å; E156-R158 WeakPolarHBondContact OE1-CB 3.47Å; E156-R158 WeakPolarHBondContact OE1-CG 3.44Å; E156-R158 IonicContact OE1-CZ 2.88Å; E156-R158 PolarHBondContact OE1-N 3.39Å; E156-R158 VanDerWaalsContact OE1-N 3.09Å; E156-R158 IonicContact OE1-NE 3.52Å; E156-R158 PolarHBondContact OE1-NE 3.31Å; E156-R158 IonicContact OE1-NH2 3.5Å; E156-R158 IonicContact OE2-CZ 3.66Å; E156-R158 IonicContact OE2-NE 3.52Å; E156-R158 PolarHBondContact OE2-NE 3.01Å; E156-R158 IonicContact OE2-NH2 3.61Å; E156-R158 PolarHBondContact OE2-NH2 3.48Å; E156-F159 HydrophobicContact CB-CD2 3.82Å; E156-F159 HydrophobicContact CB-CE2 4.44Å; E156-F159 HydrophobicContact CG-CD2 3.31Å; E156-F159 HydrophobicContact CG-CE2 3.7Å; E156-F159 HydrophobicContact CG-CG 4.19Å; E156-F159 PolarHBondContact O-N 3.29Å; E156-G160 PolarHBondContact O-N 2.89Å
157E95.1Very high94.7Very high165 Ų16573.4 Ų73.477%0.77139%0.394SS*.THydrogen-bonded Turntrans-63.1-23.3-174.7-66-179175.500113.1F159 G160E157-F159 PolarHBondContact O-N 2.92Å; E157-G160 WeakPolarHBondContact CA-O 3.49Å; E157-G160 PolarHBondContact O-N 3.34Å
158R96.4Very high95Very high125 Ų12575.7 Ų75.747%0.47240%0.402SS..THydrogen-bonded Turntrans-67.4-21.1174.9-65.6172.4-76.7-179.20.2112.7F11 E12 E156F11-R158 HydrophobicContact CD2-CB 3.71Å; F11-R158 HydrophobicContact CD2-CG 4.46Å; F11-R158 VanDerWaalsContact CE1-NH1 3.26Å; F11-R158 HydrophobicContact CE2-CB 3.51Å; F11-R158 HydrophobicContact CE2-CG 4.21Å; F11-R158 HydrophobicContact CZ-CB 4.34Å; E12-R158 IonicContact OE1-CZ 3.86Å; E12-R158 IonicContact OE1-NH1 3.66Å; E12-R158 PolarHBondContact OE1-NH1 2.97Å; E12-R158 IonicContact OE1-NH2 3.12Å; E156-R158 VanDerWaalsContact CD-NE 3.35Å; E156-R158 HydrophobicContact CG-CB 4.41Å; E156-R158 PolarHBondContact O-N 3.48Å; E156-R158 VanDerWaalsContact OE1-CB 3.27Å; E156-R158 WeakPolarHBondContact OE1-CB 3.47Å; E156-R158 WeakPolarHBondContact OE1-CG 3.44Å; E156-R158 IonicContact OE1-CZ 2.88Å; E156-R158 PolarHBondContact OE1-N 3.39Å; E156-R158 VanDerWaalsContact OE1-N 3.09Å; E156-R158 IonicContact OE1-NE 3.52Å; E156-R158 PolarHBondContact OE1-NE 3.31Å; E156-R158 IonicContact OE1-NH2 3.5Å; E156-R158 IonicContact OE2-CZ 3.66Å; E156-R158 IonicContact OE2-NE 3.52Å; E156-R158 PolarHBondContact OE2-NE 3.01Å; E156-R158 IonicContact OE2-NH2 3.61Å; E156-R158 PolarHBondContact OE2-NH2 3.48Å
159F96.6Very high95.4Very high7 Ų772.9 Ų72.93%0.03138%0.384CS..THydrogen-bonded Turntrans-92.1-39.4172.7-68.2-55.3000112.8F11 A14 R105 K108 L109 E156 E157 C233F11-F159 HydrophobicContact CB-CE2 4.06Å; F11-F159 HydrophobicContact CB-CZ 4.37Å; F11-F159 HydrophobicContact CD2-CD2 4.41Å; F11-F159 HydrophobicContact CD2-CE1 4.1Å; F11-F159 AromaticContact CD2-CE2 3.8Å; F11-F159 HydrophobicContact CD2-CE2 3.8Å; F11-F159 AromaticContact CD2-CZ 3.6Å; F11-F159 HydrophobicContact CD2-CZ 3.6Å; F11-F159 HydrophobicContact CE2-CE1 4.39Å; F11-F159 HydrophobicContact CE2-CZ 4.29Å; F11-F159 HydrophobicContact CG-CE2 4.39Å; F11-F159 HydrophobicContact CG-CZ 4.32Å; A14-F159 HydrophobicContact CB-CZ 4Å; R105-F159 HydrophobicContact CB-CE1 3.84Å; R105-F159 HydrophobicContact CB-CE2 4.13Å; R105-F159 HydrophobicContact CB-CZ 3.63Å; R105-F159 HydrophobicContact CG-CD2 4.47Å; R105-F159 HydrophobicContact CG-CE1 4.45Å; R105-F159 HydrophobicContact CG-CE2 4.11Å; R105-F159 HydrophobicContact CG-CZ 4.12Å; K108-F159 HydrophobicContact CB-CD1 4.41Å; K108-F159 HydrophobicContact CG-CD1 4.09Å; L109-F159 HydrophobicContact CD1-CE1 4Å; L109-F159 HydrophobicContact CD1-CZ 4.11Å; L109-F159 HydrophobicContact CD2-CE1 4.12Å; L109-F159 HydrophobicContact CG-CE1 3.92Å; E156-F159 HydrophobicContact CB-CD2 3.82Å; E156-F159 HydrophobicContact CB-CE2 4.44Å; E156-F159 HydrophobicContact CG-CD2 3.31Å; E156-F159 HydrophobicContact CG-CE2 3.7Å; E156-F159 HydrophobicContact CG-CG 4.19Å; E156-F159 PolarHBondContact O-N 3.29Å; E157-F159 PolarHBondContact O-N 2.92Å; F159-C233 WeakPolarHBondContact O-CA 3.31Å
160G96.4Very high95.6Very high18 Ų1872.6 Ų72.619%0.18638%0.38CS..  trans173.4-171.2177.200000114.9N155 E156 E157 H232N155-G160 PolarHBondContact ND2-O 3.21Å; E156-G160 PolarHBondContact O-N 2.89Å; E157-G160 WeakPolarHBondContact CA-O 3.49Å; E157-G160 PolarHBondContact O-N 3.34Å; G160-H232 WeakPolarHBondContact CA-NE2 3.13Å; G160-H232 WeakPolarHBondContact CA-O 3.19Å; G160-H232 PolarHBondContact N-NE2 3.41Å; G160-H232 PolarHBondContact O-NE2 2.96Å
161T96.7Very high95.8Very high88 Ų8874.2 Ų74.254%0.5439%0.387SS..  trans-70.4151.3-177.7-1780000112.3F163 P164 H232T161-F163 PolarHBondContact O-N 3.46Å; T161-P164 HydrophobicContact CG2-CB 4.11Å; T161-P164 WeakPolarHBondContact O-CD 3.37Å; T161-H232 PolarHBondContact O-CD2 3Å; T161-H232 VanDerWaalsContact O-CD2 3.27Å; T161-H232 PolarHBondContact O-NE2 3.31Å
162R96.5Very high95.9Very high103 Ų10379.2 Ų79.239%0.38941%0.407SS..SBendtrans-56.6-37175.4176.863.6-175.6-178.7-9.1113.2G153 N155 P164G153-R162 PolarHBondContact O-NH1 3.09Å; G153-R162 PolarHBondContact O-NH2 2.96Å; G153-R162 VanDerWaalsContact O-NH2 3.11Å; N155-R162 HydrophobicContact CB-CB 4.37Å; N155-R162 PolarHBondContact ND2-N 3.29Å; R162-P164 VanDerWaalsContact C-CD 3.46Å; R162-P164 WeakPolarHBondContact O-CD 3.27Å
163F96.5Very high96.1Very high171 Ų17178.5 Ų78.575%0.7540%0.404SS*.SBendtrans-124.871.9-172.5-55.4-67.9000110.4T161T161-F163 PolarHBondContact O-N 3.46Å
164P96.6Very high96.4Very high25 Ų2576.5 Ų76.516%0.16238%0.383CS..  trans-69.6139.3179.226.8-29.9000110.8L151 T161 R162 M166 I231 H232L151-P164 HydrophobicContact CD1-CG 3.61Å; T161-P164 HydrophobicContact CG2-CB 4.11Å; T161-P164 WeakPolarHBondContact O-CD 3.37Å; R162-P164 VanDerWaalsContact C-CD 3.46Å; R162-P164 WeakPolarHBondContact O-CD 3.27Å; P164-M166 HydrophobicContact CB-CE 3.94Å; P164-M166 HydrophobicContact CG-CE 3.56Å; P164-I231 HydrophobicContact CB-CG2 4.45Å; P164-H232 HydrophobicContact CG-CB 4.23Å
165S97.1Very high96.7Very high84 Ų8466.5 Ų66.559%0.58735%0.345SS*.  trans-71.4130.5173.6174.40000110.8S167 I231S165-S167 PolarHBondContact OG-N 3.38Å; S165-S167 PolarHBondContact OG-OG 2.92Å; S165-I231 WeakPolarHBondContact O-CG2 3.35Å
166M97.3Very high96.9Very high59 Ų5967.2 Ų67.229%0.29136%0.355SS..  trans-99.111.1174.5-61.2-62.7152.700112.8L151 P164 C168 V169 I228 I231L151-M166 HydrophobicContact CD1-CE 4.44Å; P164-M166 HydrophobicContact CB-CE 3.94Å; P164-M166 HydrophobicContact CG-CE 3.56Å; M166-C168 PolarHBondContact O-N 3.23Å; M166-C168 VanDerWaalsContact O-N 3.1Å; M166-V169 HydrophobicContact CB-CG2 3.97Å; M166-V169 HydrophobicContact CG-CG2 4.49Å; M166-V169 WeakPolarHBondContact O-CG2 3.13Å; M166-V169 HydrophobicContact SD-CG2 3.82Å; M166-I228 HydrophobicContact CE-CG2 3.87Å; M166-I228 HydrophobicContact SD-CG1 4.21Å; M166-I231 HydrophobicContact CE-CB 4.33Å; M166-I231 HydrophobicContact CE-CG2 3.96Å; M166-I231 HydrophobicContact SD-CB 4.22Å; M166-I231 HydrophobicContact SD-CG2 3.96Å
167S95Very high97.1Very high101 Ų10166.3 Ų66.371%0.70635%0.351SS*.THydrogen-bonded Turntrans-63.9-19.3-175.3-56.10000114.5S165S165-S167 PolarHBondContact OG-N 3.38Å; S165-S167 PolarHBondContact OG-OG 2.92Å
168C94Very high97.3Very high95 Ų9558.5 Ų58.564%0.64231%0.314SS*.THydrogen-bonded Turntrans-143.354.2-177.5-74.50000111.3M166 Y170M166-C168 PolarHBondContact O-N 3.23Å; M166-C168 VanDerWaalsContact O-N 3.1Å; C168-Y170 PolarHBondContact O-N 3.45Å
169V98.6Very high97.4Very high3 Ų357.1 Ų57.12%0.01831%0.312CS..SBendtrans-57-49.5179.9178.70000111.5M166 A227 I231 V237M166-V169 HydrophobicContact CB-CG2 3.97Å; M166-V169 HydrophobicContact CG-CG2 4.49Å; M166-V169 WeakPolarHBondContact O-CG2 3.13Å; M166-V169 HydrophobicContact SD-CG2 3.82Å; V169-A227 HydrophobicContact CG1-CB 3.71Å; V169-I231 HydrophobicContact CB-CG1 4.22Å; V169-I231 HydrophobicContact CG1-CD1 4.49Å; V169-I231 HydrophobicContact CG1-CG1 3.87Å; V169-I231 HydrophobicContact CG2-CG1 4.26Å; V169-I231 WeakPolarHBondContact O-CD1 3.23Å; V169-V237 WeakPolarHBondContact O-CB 3.28Å
170Y98.8Very high97.5Very high3 Ų361.7 Ų61.71%0.01233%0.329CS..BIsolated β-bridgetrans-93.5111.2-179.7-53.6-82.4000110.3I136 H139 C168 K172 R175 A227 V237I136-Y170 HydrophobicContact CB-CD1 4.04Å; I136-Y170 HydrophobicContact CB-CE1 3.88Å; I136-Y170 HydrophobicContact CB-CE2 4.42Å; I136-Y170 HydrophobicContact CB-CG 4.37Å; I136-Y170 HydrophobicContact CD1-CE1 4.27Å; I136-Y170 HydrophobicContact CG2-CD1 4.08Å; I136-Y170 HydrophobicContact CG2-CD2 3.87Å; I136-Y170 HydrophobicContact CG2-CE1 3.67Å; I136-Y170 HydrophobicContact CG2-CE2 3.43Å; I136-Y170 VanDerWaalsContact CG2-CE2 3.43Å; I136-Y170 HydrophobicContact CG2-CG 4.16Å; I136-Y170 VanDerWaalsContact O-CB 3.31Å; I136-Y170 WeakPolarHBondContact O-CB 3.49Å; H139-Y170 HydrophobicContact CB-CE2 4.02Å; H139-Y170 AromaticContact CG-CE2 3.96Å; H139-Y170 AromaticContact ND1-CE2 3.52Å; H139-Y170 AromaticContact ND1-CZ 3.59Å; H139-Y170 PolarHBondContact ND1-OH 2.94Å; C168-Y170 PolarHBondContact O-N 3.45Å; Y170-K172 PolarHBondContact O-N 3.2Å; Y170-R175 PolarHBondContact O-NE 3.49Å; Y170-A227 HydrophobicContact CE1-CB 4.46Å; Y170-V237 HydrophobicContact CD1-CG1 4.15Å; Y170-V237 HydrophobicContact CE1-CG1 4.3Å
171H98.3Very high97.6Very high39 Ų3961.2 Ų61.218%0.18132%0.322CS..  trans-59.2109.8-164.6-173.8-111000111.7P173 Y174 R175 K236 V237H171-P173 VanDerWaalsContact CE1-CG 3.47Å; H171-P173 WeakPolarHBondContact CE1-CG 3.22Å; H171-Y174 HydrophobicContact CB-CD2 3.76Å; H171-Y174 HydrophobicContact CB-CE2 4.4Å; H171-Y174 HydrophobicContact CB-CG 4.08Å; H171-Y174 AromaticContact CE1-CD1 3.83Å; H171-Y174 AromaticContact CE1-CE1 3.75Å; H171-Y174 AromaticContact CG-CD2 3.86Å; H171-Y174 AromaticContact CG-CG 3.98Å; H171-Y174 AromaticContact ND1-CD1 3.25Å; H171-Y174 WeakPolarHBondContact ND1-CD1 3.36Å; H171-Y174 AromaticContact ND1-CD2 3.37Å; H171-Y174 WeakPolarHBondContact ND1-CD2 3.35Å; H171-Y174 AromaticContact ND1-CE1 3.53Å; H171-Y174 AromaticContact ND1-CE2 3.65Å; H171-Y174 AromaticContact ND1-CG 3.16Å; H171-Y174 AromaticContact ND1-CZ 3.74Å; H171-Y174 PolarHBondContact ND1-N 2.82Å; H171-Y174 WeakPolarHBondContact O-CA 3.35Å; H171-Y174 WeakPolarHBondContact O-CB 3.28Å; H171-Y174 PolarHBondContact O-N 3.05Å; H171-R175 PolarHBondContact O-N 3.45Å; H171-K236 HydrophobicContact CB-CB 4.17Å; H171-V237 WeakPolarHBondContact CB-O 3.17Å; H171-V237 PolarHBondContact N-O 2.83Å
172K98.1Very high97.7Very high147 Ų14757.1 Ų57.164%0.63930%0.297SS*.Hα-helixtrans-52.6-44.4-173.8178.4-178.8179.8-178.80113.7Y170 Y174 R175 A176Y170-K172 PolarHBondContact O-N 3.2Å; K172-Y174 VanDerWaalsContact C-N 3.34Å; K172-Y174 PolarHBondContact O-N 3.05Å; K172-R175 PolarHBondContact O-N 2.87Å; K172-A176 PolarHBondContact O-N 3.15Å
173P97.8Very high97.7Very high68 Ų6859.8 Ų59.844%0.44231%0.314SS..Hα-helixtrans-61-37174-25.534.4000114.2H171 A176 M177H171-P173 VanDerWaalsContact CE1-CG 3.47Å; H171-P173 WeakPolarHBondContact CE1-CG 3.22Å; P173-A176 PolarHBondContact O-N 3.34Å; P173-M177 WeakPolarHBondContact O-CB 3.28Å; P173-M177 PolarHBondContact O-N 3.41Å
174Y98.3Very high97.8Very high2 Ų259.7 Ų59.71%0.00831%0.313CS..Hα-helixtrans-70.9-37.9178-65.1-12.1000111.6T114 H171 K172 M177 M178 K236 F281 W285 Y289T114-Y174 HydrophobicContact CG2-CD2 4.17Å; T114-Y174 HydrophobicContact CG2-CE2 3.49Å; T114-Y174 VanDerWaalsContact CG2-CE2 3.49Å; T114-Y174 PolarHBondContact OG1-OH 3.06Å; T114-Y174 VanDerWaalsContact OG1-OH 3.12Å; H171-Y174 HydrophobicContact CB-CD2 3.76Å; H171-Y174 HydrophobicContact CB-CE2 4.4Å; H171-Y174 HydrophobicContact CB-CG 4.08Å; H171-Y174 AromaticContact CE1-CD1 3.83Å; H171-Y174 AromaticContact CE1-CE1 3.75Å; H171-Y174 AromaticContact CG-CD2 3.86Å; H171-Y174 AromaticContact CG-CG 3.98Å; H171-Y174 AromaticContact ND1-CD1 3.25Å; H171-Y174 WeakPolarHBondContact ND1-CD1 3.36Å; H171-Y174 AromaticContact ND1-CD2 3.37Å; H171-Y174 WeakPolarHBondContact ND1-CD2 3.35Å; H171-Y174 AromaticContact ND1-CE1 3.53Å; H171-Y174 AromaticContact ND1-CE2 3.65Å; H171-Y174 AromaticContact ND1-CG 3.16Å; H171-Y174 AromaticContact ND1-CZ 3.74Å; H171-Y174 PolarHBondContact ND1-N 2.82Å; H171-Y174 WeakPolarHBondContact O-CA 3.35Å; H171-Y174 WeakPolarHBondContact O-CB 3.28Å; H171-Y174 PolarHBondContact O-N 3.05Å; K172-Y174 VanDerWaalsContact C-N 3.34Å; K172-Y174 PolarHBondContact O-N 3.05Å; Y174-M177 PolarHBondContact O-N 3.42Å; Y174-M178 WeakPolarHBondContact O-CB 3.11Å; Y174-M178 PolarHBondContact O-N 2.89Å; Y174-K236 HydrophobicContact CD2-CB 4.18Å; Y174-K236 HydrophobicContact CE2-CB 3.44Å; Y174-K236 VanDerWaalsContact CE2-CB 3.44Å; Y174-K236 HydrophobicContact CE2-CD 3.91Å; Y174-K236 HydrophobicContact CE2-CG 4.3Å; Y174-K236 VanDerWaalsContact OH-CD 3.29Å; Y174-K236 WeakPolarHBondContact OH-CD 2.93Å; Y174-F281 HydrophobicContact CD1-CE2 4.46Å; Y174-F281 HydrophobicContact CD1-CZ 4.25Å; Y174-F281 HydrophobicContact CD2-CZ 4.31Å; Y174-F281 HydrophobicContact CG-CE2 4.3Å; Y174-F281 AromaticContact CG-CZ 3.97Å; Y174-F281 HydrophobicContact CG-CZ 3.97Å; Y174-W285 AromaticContact CE1-CD1 3.83Å; Y174-W285 AromaticContact CZ-CD1 3.71Å; Y174-W285 AromaticContact CZ-NE1 3.64Å; Y174-W285 PolarHBondContact OH-NE1 3.37Å; Y174-W285 VanDerWaalsContact OH-NE1 3.16Å; Y174-Y289 HydrophobicContact CE1-CD2 4.49Å; Y174-Y289 AromaticContact CE1-CE2 3.52Å; Y174-Y289 HydrophobicContact CE1-CE2 3.52Å; Y174-Y289 AromaticContact CE1-CZ 3.76Å; Y174-Y289 WeakPolarHBondContact CE1-OH 3.29Å
175R98.6Very high97.9Very high36 Ų3660.2 Ų60.214%0.13632%0.318CS..Hα-helixtrans-60.8-46.5171.4-65.9-163.9-66.2119.7-8.9111.8L135 I136 Y170 H171 K172 M177 M178 K179 E191 L238L135-R175 HydrophobicContact CD1-CG 4.21Å; L135-R175 HydrophobicContact CD2-CB 3.84Å; L135-R175 HydrophobicContact CD2-CG 4.05Å; L135-R175 HydrophobicContact CG-CG 4.22Å; I136-R175 VanDerWaalsContact O-CD 3.3Å; I136-R175 WeakPolarHBondContact O-CD 3.41Å; Y170-R175 PolarHBondContact O-NE 3.49Å; H171-R175 PolarHBondContact O-N 3.45Å; K172-R175 PolarHBondContact O-N 2.87Å; R175-M177 VanDerWaalsContact C-N 3.35Å; R175-M177 PolarHBondContact O-N 2.83Å; R175-M178 PolarHBondContact O-N 3.41Å; R175-K179 VanDerWaalsContact O-CG 3.31Å; R175-K179 WeakPolarHBondContact O-CG 3.38Å; R175-K179 PolarHBondContact O-N 3.18Å; R175-E191 IonicContact CZ-OE1 2.63Å; R175-E191 IonicContact NH1-OE1 2.91Å; R175-E191 PolarHBondContact NH1-OE1 2.86Å; R175-L238 HydrophobicContact CG-CD1 4.19Å
176A98.4Very high97.9Very high43 Ų4359.6 Ų59.636%0.35533%0.325SS..Hα-helixtrans-61.7-41.9177.300000112.4K172 P173 R180K172-A176 PolarHBondContact O-N 3.15Å; P173-A176 PolarHBondContact O-N 3.34Å; A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 3.08Å
177M98.4Very high97.9Very high11 Ų1157.8 Ų57.85%0.05432%0.316CS..Hα-helixtrans-59-51.3173.6178.6-179-70.400111.5P173 Y174 R175 K179 R180 I181 F281 E284 W285P173-M177 WeakPolarHBondContact O-CB 3.28Å; P173-M177 PolarHBondContact O-N 3.41Å; Y174-M177 PolarHBondContact O-N 3.42Å; R175-M177 VanDerWaalsContact C-N 3.35Å; R175-M177 PolarHBondContact O-N 2.83Å; M177-K179 VanDerWaalsContact C-N 3.34Å; M177-K179 PolarHBondContact O-N 2.82Å; M177-R180 PolarHBondContact O-N 3.16Å; M177-I181 HydrophobicContact CG-CD1 3.88Å; M177-I181 WeakPolarHBondContact O-CG1 3.27Å; M177-I181 PolarHBondContact O-N 3.38Å; M177-F281 HydrophobicContact CB-CE2 4.39Å; M177-F281 HydrophobicContact CG-CD2 4.02Å; M177-F281 HydrophobicContact CG-CE2 4.16Å; M177-F281 HydrophobicContact SD-CD2 3.71Å; M177-F281 HydrophobicContact SD-CE2 3.57Å; M177-F281 VanDerWaalsContact SD-CE2 3.57Å; M177-F281 HydrophobicContact SD-CZ 4.43Å; M177-E284 HydrophobicContact CE-CG 3.87Å; M177-E284 HydrophobicContact CG-CG 4.24Å; M177-E284 WeakPolarHBondContact CG-OE1 3.41Å; M177-E284 HydrophobicContact SD-CB 4.07Å; M177-E284 HydrophobicContact SD-CG 3.94Å; M177-W285 HydrophobicContact SD-CB 4.47Å
178M98.6Very high97.9Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-61.3-40.4-179.8-179.653.276.500112.7L135 Y174 R175 R180 I181 A182 L189 L238 F240 L277 L278 F281L135-M178 HydrophobicContact CD1-CG 4.33Å; Y174-M178 WeakPolarHBondContact O-CB 3.11Å; Y174-M178 PolarHBondContact O-N 2.89Å; R175-M178 PolarHBondContact O-N 3.41Å; M178-R180 VanDerWaalsContact C-N 3.35Å; M178-R180 PolarHBondContact O-N 3.33Å; M178-I181 PolarHBondContact O-N 3.46Å; M178-I181 HydrophobicContact SD-CB 4.49Å; M178-I181 HydrophobicContact SD-CG2 4.48Å; M178-A182 WeakPolarHBondContact O-CB 3.31Å; M178-A182 PolarHBondContact O-N 3.03Å; M178-L189 HydrophobicContact CG-CD2 3.83Å; M178-L238 HydrophobicContact CE-CD2 4.47Å; M178-F240 HydrophobicContact CE-CE1 4.1Å; M178-F240 HydrophobicContact CE-CE2 4.33Å; M178-F240 HydrophobicContact CE-CZ 3.47Å; M178-F240 VanDerWaalsContact CE-CZ 3.47Å; M178-F240 HydrophobicContact CG-CE1 3.72Å; M178-F240 HydrophobicContact CG-CZ 3.73Å; M178-F240 HydrophobicContact SD-CE1 4.28Å; M178-F240 HydrophobicContact SD-CZ 4.19Å; M178-L277 HydrophobicContact CE-CB 4.13Å; M178-L277 HydrophobicContact SD-CB 3.87Å; M178-L277 HydrophobicContact SD-CD1 4.35Å; M178-L277 HydrophobicContact SD-CD2 4.38Å; M178-L277 HydrophobicContact SD-CG 4.44Å; M178-L278 HydrophobicContact CE-CD2 4.22Å; M178-F281 HydrophobicContact CE-CB 3.44Å; M178-F281 VanDerWaalsContact CE-CB 3.44Å; M178-F281 HydrophobicContact CE-CD2 4.05Å; M178-F281 HydrophobicContact CE-CG 3.85Å
179K98.6Very high98.1Very high96 Ų9655.5 Ų55.542%0.41728%0.284SS..Hα-helixtrans-59.6-43.7175.9-71.5174.773163.60112L135 R175 M177 A182 E183 L189 E191L135-K179 HydrophobicContact CD2-CD 4.32Å; L135-K179 HydrophobicContact CD2-CG 3.89Å; R175-K179 VanDerWaalsContact O-CG 3.31Å; R175-K179 WeakPolarHBondContact O-CG 3.38Å; R175-K179 PolarHBondContact O-N 3.18Å; M177-K179 VanDerWaalsContact C-N 3.34Å; M177-K179 PolarHBondContact O-N 2.82Å; K179-A182 PolarHBondContact O-N 3.17Å; K179-E183 WeakPolarHBondContact O-CB 3.29Å; K179-E183 PolarHBondContact O-N 3.13Å; K179-L189 HydrophobicContact CG-CD2 4.33Å; K179-E191 IonicContact NZ-OE2 3.58Å; K179-E191 PolarHBondContact NZ-OE2 3.27Å
180R98.5Very high98.1Very high104 Ų10457 Ų5739%0.39229%0.291SS..Hα-helixtrans-63.5-41174.9-67.7-169.8-51.3-92.63.3112.2A176 M177 M178 K184 E284A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 3.08Å; M177-R180 PolarHBondContact O-N 3.16Å; M178-R180 VanDerWaalsContact C-N 3.35Å; M178-R180 PolarHBondContact O-N 3.33Å; R180-K184 WeakPolarHBondContact O-CB 3.29Å; R180-K184 VanDerWaalsContact O-CG 3.32Å; R180-K184 WeakPolarHBondContact O-CG 3.5Å; R180-K184 PolarHBondContact O-N 3.29Å; R180-E284 IonicContact CZ-OE1 2.85Å; R180-E284 IonicContact NH2-OE1 3.8Å; R180-E284 PolarHBondContact NH2-OE1 3.25Å
181I98.6Very high98.1Very high7 Ų759.7 Ų59.74%0.03630%0.303CS..Hα-helixtrans-63.3-43.9178.3-70.7170.1000110.7M177 M178 K184 S185 L277 L280 F281 E284M177-I181 HydrophobicContact CG-CD1 3.88Å; M177-I181 WeakPolarHBondContact O-CG1 3.27Å; M177-I181 PolarHBondContact O-N 3.38Å; M178-I181 PolarHBondContact O-N 3.46Å; M178-I181 HydrophobicContact SD-CB 4.49Å; M178-I181 HydrophobicContact SD-CG2 4.48Å; I181-K184 PolarHBondContact O-N 3.36Å; I181-S185 WeakPolarHBondContact O-CB 3.37Å; I181-S185 PolarHBondContact O-N 3.18Å; I181-S185 PolarHBondContact O-OG 3.01Å; I181-L277 HydrophobicContact CG2-CD2 4.02Å; I181-L280 HydrophobicContact CG2-CB 3.55Å; I181-L280 HydrophobicContact CG2-CD1 3.85Å; I181-L280 HydrophobicContact CG2-CG 4.36Å; I181-F281 VanDerWaalsContact CD1-CA 3.5Å; I181-F281 HydrophobicContact CD1-CB 3.94Å; I181-F281 HydrophobicContact CD1-CD2 4.35Å; I181-E284 HydrophobicContact CD1-CB 4.42Å
182A98.4Very high98.1Very high3 Ų358 Ų583%0.02530%0.296CS..Hα-helixtrans-63.6-45.8178.100000112.3M178 K179 S185 G186 I187 L189 L277M178-A182 WeakPolarHBondContact O-CB 3.31Å; M178-A182 PolarHBondContact O-N 3.03Å; K179-A182 PolarHBondContact O-N 3.17Å; A182-S185 PolarHBondContact O-N 3.43Å; A182-G186 PolarHBondContact O-N 3.36Å; A182-G186 VanDerWaalsContact O-N 3.11Å; A182-I187 PolarHBondContact O-N 2.73Å; A182-L189 HydrophobicContact CB-CB 3.71Å; A182-L189 HydrophobicContact CB-CD2 3.77Å; A182-L189 HydrophobicContact CB-CG 4.34Å; A182-L277 HydrophobicContact CB-CD1 4.47Å; A182-L277 HydrophobicContact CB-CD2 3.93Å
183E98.3Very high98.2Very high159 Ų15953.2 Ų53.274%0.74328%0.277SS*.Hα-helixtrans-57.2-50.4174.7-176.9178.3-164.900111.7K179 S185 G186K179-E183 WeakPolarHBondContact O-CB 3.29Å; K179-E183 PolarHBondContact O-N 3.13Å; E183-S185 PolarHBondContact O-N 2.79Å; E183-G186 PolarHBondContact O-N 2.89Å; E183-G186 VanDerWaalsContact O-N 3.13Å
184K98.2Very high98.2Very high169 Ų16950 Ų5074%0.73526%0.256SS*.Hα-helixtrans-62.1-30.4177.7-73.8177.6-179.9-178.50113.6R180 I181 G186R180-K184 WeakPolarHBondContact O-CB 3.29Å; R180-K184 VanDerWaalsContact O-CG 3.32Å; R180-K184 WeakPolarHBondContact O-CG 3.5Å; R180-K184 PolarHBondContact O-N 3.29Å; I181-K184 PolarHBondContact O-N 3.36Å; K184-G186 VanDerWaalsContact C-N 3.34Å
185S97.6Very high98.2Very high36 Ų3649.9 Ų49.925%0.25226%0.255SS..THydrogen-bonded Turntrans-87.1-4.6-179.7-53.10000113I181 A182 E183 I187 L280I181-S185 WeakPolarHBondContact O-CB 3.37Å; I181-S185 PolarHBondContact O-N 3.18Å; I181-S185 PolarHBondContact O-OG 3.01Å; A182-S185 PolarHBondContact O-N 3.43Å; E183-S185 PolarHBondContact O-N 2.79Å; S185-I187 PolarHBondContact O-N 3.38Å; S185-L280 VanDerWaalsContact OG-CD1 3.23Å; S185-L280 WeakPolarHBondContact OG-CD1 3.36Å
186G97.6Very high98.2Very high71 Ų7148.1 Ų48.173%0.73225%0.249SC*.THydrogen-bonded Turntrans64.519.4-173.200000113.6A182 E183 K184A182-G186 PolarHBondContact O-N 3.36Å; A182-G186 VanDerWaalsContact O-N 3.11Å; E183-G186 PolarHBondContact O-N 2.89Å; E183-G186 VanDerWaalsContact O-N 3.13Å; K184-G186 VanDerWaalsContact C-N 3.34Å
187I96.9Very high98.1Very high21 Ų2147.1 Ų47.111%0.10824%0.238CC..  trans-94.2119.7-179.9-62.9173.7000108.2I133 A182 S185 L189 K273 Q276 L277I133-I187 HydrophobicContact CD1-CG2 4.49Å; A182-I187 PolarHBondContact O-N 2.73Å; S185-I187 PolarHBondContact O-N 3.38Å; I187-L189 PolarHBondContact O-N 2.92Å; I187-K273 HydrophobicContact CG2-CB 4.4Å; I187-Q276 HydrophobicContact CD1-CB 4.42Å; I187-Q276 HydrophobicContact CD1-CG 4.27Å; I187-L277 HydrophobicContact CB-CD2 4.17Å; I187-L277 HydrophobicContact CD1-CD2 3.83Å; I187-L277 HydrophobicContact CD1-CG 3.92Å; I187-L277 HydrophobicContact CG2-CD1 3.91Å; I187-L277 HydrophobicContact CG2-CD2 4.44Å; I187-L277 HydrophobicContact CG2-CG 4.3Å
188K96.3Very high97.9Very high112 Ų11251 Ų5149%0.48726%0.255SS..  trans-60.4125.4173.2-175.5-172.3172.4-1490109.7D132D132-K188 VanDerWaalsContact CG-NZ 3.35Å; D132-K188 IonicContact OD1-NZ 2.77Å; D132-K188 PolarHBondContact OD1-NZ 2.59Å; D132-K188 IonicContact OD2-NZ 2.95Å; D132-K188 PolarHBondContact OD2-NZ 3.04Å
189L98.1Very high97.7Very high36 Ų3651.9 Ų51.919%0.18826%0.264CS..EExtended strand (participates in β ladder)trans-127.1118.1177.9-176.569.4000108.9I133 L135 M178 K179 A182 I187 L277I133-L189 HydrophobicContact CB-CD1 4.16Å; I133-L189 HydrophobicContact CG2-CD1 3.67Å; L135-L189 HydrophobicContact CB-CD1 4.13Å; L135-L189 HydrophobicContact CB-CD2 4.1Å; L135-L189 HydrophobicContact CB-CG 4.13Å; L135-L189 HydrophobicContact CD2-CD2 4.19Å; M178-L189 HydrophobicContact CG-CD2 3.83Å; K179-L189 HydrophobicContact CG-CD2 4.33Å; A182-L189 HydrophobicContact CB-CB 3.71Å; A182-L189 HydrophobicContact CB-CD2 3.77Å; A182-L189 HydrophobicContact CB-CG 4.34Å; I187-L189 PolarHBondContact O-N 2.92Å; L189-L277 HydrophobicContact CD1-CD1 4.36Å
190Q98.4Very high97.4Very high35 Ų3551.9 Ų51.916%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-77.5157.7170.2-56.3-71.914.400109.5Y128 D132 I133 M134 L135Y128-Q190 HydrophobicContact CD1-CB 4.33Å; Y128-Q190 HydrophobicContact CD1-CG 3.83Å; Y128-Q190 HydrophobicContact CE1-CB 3.75Å; Y128-Q190 HydrophobicContact CE1-CG 3.74Å; Y128-Q190 HydrophobicContact CE2-CB 4.47Å; Y128-Q190 HydrophobicContact CG-CG 4.44Å; D132-Q190 HydrophobicContact CB-CG 4.05Å; D132-Q190 PolarHBondContact OD2-NE2 2.84Å; I133-Q190 PolarHBondContact O-N 2.82Å; M134-Q190 HydrophobicContact CB-CB 4.17Å; M134-Q190 HydrophobicContact CG-CB 4.24Å; L135-Q190 WeakPolarHBondContact CB-O 3.25Å; L135-Q190 PolarHBondContact N-O 2.87Å
191E98.5Very high97.2Very high59 Ų5949.4 Ų49.428%0.27628%0.281SS..EExtended strand (participates in β ladder)trans-134.8126.9171.2179.6171.3-126.100108.6Y128 L135 K137 R175 K179Y128-E191 PolarHBondContact OH-O 3.47Å; L135-E191 WeakPolarHBondContact O-CA 3.45Å; K137-E191 HydrophobicContact CB-CG 3.74Å; K137-E191 HydrophobicContact CD-CG 4.33Å; R175-E191 IonicContact CZ-OE1 2.63Å; R175-E191 IonicContact NH1-OE1 2.91Å; R175-E191 PolarHBondContact NH1-OE1 2.86Å; K179-E191 IonicContact NZ-OE2 3.58Å; K179-E191 PolarHBondContact NZ-OE2 3.27Å
192G98.6Very high97Very high2 Ų254.3 Ų54.32%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-161.9179.6-170.500000115.2L135 K137 D217L135-G192 PolarHBondContact O-N 3.02Å; L135-G192 VanDerWaalsContact O-N 3.15Å; K137-G192 PolarHBondContact N-O 3.19Å; G192-D217 WeakPolarHBondContact CA-OD2 3.44Å
193I98.8Very high96.8Very high47 Ų4755.6 Ų55.624%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-96.4122.4179.4-59.3-178.6000109.4D138 I140 G215 D217 A218D138-I193 HydrophobicContact CB-CG1 4.22Å; D138-I193 WeakPolarHBondContact O-CA 3.5Å; I140-I193 HydrophobicContact CD1-CG2 4.19Å; I140-I193 HydrophobicContact CG1-CG2 3.87Å; I193-G215 WeakPolarHBondContact CB-O 3.47Å; I193-D217 PolarHBondContact N-OD2 2.81Å; I193-D217 PolarHBondContact O-N 2.84Å; I193-A218 PolarHBondContact O-N 3.41Å
194Y98.8Very high96.6Very high0 Ų050.3 Ų50.30%029%0.286CS..EExtended strand (participates in β ladder)trans-93.3123.9177.9177-89.1000111.1N119 A121 M134 I136 D138 H139 I140 M196 A218 G220 M221 S222 V224 S241N119-Y194 WeakPolarHBondContact OD1-CE2 3.25Å; A121-Y194 HydrophobicContact CB-CD2 4.3Å; A121-Y194 HydrophobicContact CB-CE2 3.9Å; M134-Y194 HydrophobicContact CE-CD2 4.4Å; I136-Y194 HydrophobicContact CD1-CG 4.23Å; D138-Y194 PolarHBondContact O-N 3.44Å; H139-Y194 CarbonylContact C-O 3.55Å; H139-Y194 WeakPolarHBondContact CA-O 3.42Å; H139-Y194 WeakPolarHBondContact CB-O 3.33Å; I140-Y194 PolarHBondContact N-O 2.82Å; Y194-M196 HydrophobicContact CE1-CB 4.13Å; Y194-A218 HydrophobicContact CD2-CB 4.38Å; Y194-G220 WeakPolarHBondContact OH-CA 3.48Å; Y194-G220 PolarHBondContact OH-O 2.99Å; Y194-M221 PolarHBondContact OH-N 3.37Å; Y194-S222 WeakPolarHBondContact CE1-O 3.44Å; Y194-S222 PolarHBondContact OH-N 3.31Å; Y194-S222 PolarHBondContact OH-O 3.36Å; Y194-V224 HydrophobicContact CD1-CG2 3.63Å; Y194-V224 HydrophobicContact CE1-CG2 3.82Å; Y194-S241 VanDerWaalsContact CD2-OG 3.22Å; Y194-S241 WeakPolarHBondContact CD2-OG 3.46Å
195S98.6Very high96.5Very high0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-95.3123.4175.7-58.10000110.1I140 G216 A218 V219 G220I140-S195 CarbonylContact O-C 3.54Å; I140-S195 WeakPolarHBondContact O-CA 3.49Å; S195-G216 WeakPolarHBondContact OG-CA 3.16Å; S195-A218 PolarHBondContact N-O 2.85Å; S195-V219 CarbonylContact O-C 3.47Å; S195-V219 VanDerWaalsContact O-CA 3.28Å; S195-V219 WeakPolarHBondContact O-CA 3.42Å; S195-G220 PolarHBondContact O-N 3.1Å
196M98.1Very high96.5Very high0 Ų045.8 Ų45.80%028%0.279CS..EExtended strand (participates in β ladder)trans-91.3127.4169.9178.5-179.7169.800110.1P91 I140 M142 P143 Y194 G220 V224 H225P91-M196 HydrophobicContact CG-CE 4.47Å; I140-M196 PolarHBondContact O-N 3.29Å; M142-M196 WeakPolarHBondContact CB-O 3.47Å; M142-M196 PolarHBondContact N-O 2.89Å; P143-M196 WeakPolarHBondContact CD-O 3.25Å; P143-M196 HydrophobicContact CG-CE 4.4Å; Y194-M196 HydrophobicContact CE1-CB 4.13Å; M196-G220 CarbonylContact C-O 3.59Å; M196-G220 VanDerWaalsContact CA-O 3.23Å; M196-G220 WeakPolarHBondContact CA-O 3.48Å; M196-V224 HydrophobicContact CB-CB 3.69Å; M196-V224 HydrophobicContact CB-CG1 4.42Å; M196-V224 HydrophobicContact CB-CG2 3.54Å; M196-V224 HydrophobicContact CG-CB 4.29Å; M196-V224 HydrophobicContact SD-CB 3.74Å; M196-H225 VanDerWaalsContact CE-ND1 3.25Å; M196-H225 WeakPolarHBondContact CE-ND1 3.45Å; M196-H225 PolarHBondContact SD-ND1 3.31Å; M196-H225 VanDerWaalsContact SD-ND1 3.39Å
197T96.9Very high96.4Very high22 Ų2247 Ų4714%0.13527%0.266CS..  trans-104.4171.5164.357.30000110.3E203 L211 V219 G220T197-E203 WeakPolarHBondContact CB-OE1 3.08Å; T197-E203 HydrophobicContact CG2-CG 4.06Å; T197-E203 VanDerWaalsContact CG2-OE1 3.25Å; T197-E203 WeakPolarHBondContact CG2-OE1 3.46Å; T197-E203 PolarHBondContact OG1-OE1 3.45Å; T197-L211 HydrophobicContact CG2-CD1 3.86Å; T197-V219 HydrophobicContact CG2-CG2 3.73Å; T197-G220 PolarHBondContact N-O 3.36Å; T197-G220 PolarHBondContact OG1-O 2.93Å
198F94.2Very high96.5Very high92 Ų9246 Ų4640%0.40426%0.261SS..  trans-79.6-35-177.9-161.9-96.1000112.6P91 M97 P143P91-F198 HydrophobicContact CB-CD2 4.44Å; P91-F198 HydrophobicContact CB-CE1 4.5Å; P91-F198 HydrophobicContact CB-CE2 3.71Å; P91-F198 HydrophobicContact CB-CZ 3.74Å; M97-F198 HydrophobicContact CE-CD2 4.15Å; M97-F198 HydrophobicContact CE-CE2 3.97Å; P143-F198 HydrophobicContact CB-CD2 4.21Å; P143-F198 HydrophobicContact CG-CB 4.16Å; P143-F198 HydrophobicContact CG-CD2 4.19Å
199G93.2Very high96.5Very high19 Ų1943.7 Ų43.720%0.19625%0.253CS..  trans72.5-173.6-168.800000113.1M221G199-M221 VanDerWaalsContact CA-SD 3.52Å
200P93.7Very high96.5Very high95 Ų9546 Ų4662%0.61726%0.264SS*.SBendcis-83-9.2-3.334.5-35.1000113.7Y92Y92-P200 HydrophobicContact CD2-CB 4.17Å; Y92-P200 HydrophobicContact CG-CB 4.18Å
201G93.5Very high96.5Very high52 Ų5244.5 Ų44.554%0.53626%0.257SS..SBendtrans-65.3136.117400000111.1M221G201-M221 VanDerWaalsContact O-CE 3.24Å; G201-M221 WeakPolarHBondContact O-CE 3.44Å
202Y93.6Very high96.4Very high110 Ų11045.4 Ų45.443%0.43126%0.258SS..PPolyproline II helixtrans-65.5157.8165.5-64.3-69.2000110.4M221 V258Y202-M221 HydrophobicContact CD1-CE 3.71Å; Y202-M221 HydrophobicContact CE1-CE 4.07Å; Y202-M221 HydrophobicContact CG-CE 4.31Å; Y202-V258 HydrophobicContact CD1-CG1 4.38Å; Y202-V258 HydrophobicContact CD2-CB 4.35Å; Y202-V258 HydrophobicContact CD2-CG1 4.41Å; Y202-V258 HydrophobicContact CE1-CG1 4.02Å; Y202-V258 HydrophobicContact CE2-CB 4.34Å; Y202-V258 HydrophobicContact CE2-CG1 4.05Å
203E94.8Very high96.4Very high30 Ų3055 Ų5514%0.1429%0.294CS..PPolyproline II helixtrans-65.6133.7-177.1-62.371.2-155.300111.1T197 E207 A208 L211 V219T197-E203 WeakPolarHBondContact CB-OE1 3.08Å; T197-E203 HydrophobicContact CG2-CG 4.06Å; T197-E203 VanDerWaalsContact CG2-OE1 3.25Å; T197-E203 WeakPolarHBondContact CG2-OE1 3.46Å; T197-E203 PolarHBondContact OG1-OE1 3.45Å; E203-E207 HydrophobicContact CB-CB 4.16Å; E203-A208 HydrophobicContact CB-CB 4.24Å; E203-L211 HydrophobicContact CG-CD1 4.06Å; E203-V219 VanDerWaalsContact CD-CG2 3.49Å; E203-V219 HydrophobicContact CG-CG2 4.04Å; E203-V219 WeakPolarHBondContact OE1-CG2 3.24Å
204S95Very high96.4Very high48 Ų4857.7 Ų57.734%0.33631%0.308SS..PPolyproline II helixtrans-62.4157164.163.30000110.5A206 E207 A208S204-A206 PolarHBondContact O-N 3.22Å; S204-A206 VanDerWaalsContact O-N 3.13Å; S204-E207 WeakPolarHBondContact CB-OE2 3.23Å; S204-E207 PolarHBondContact N-OE2 3.15Å; S204-E207 PolarHBondContact O-N 2.88Å; S204-E207 VanDerWaalsContact OG-CD 3.22Å; S204-E207 VanDerWaalsContact OG-CG 3.25Å; S204-E207 WeakPolarHBondContact OG-CG 3.47Å; S204-E207 PolarHBondContact OG-N 3.31Å; S204-E207 PolarHBondContact OG-OE2 3.31Å; S204-A208 PolarHBondContact O-N 3.43Å
205P95.6Very high96.3Very high38 Ų3859.2 Ų59.225%0.24732%0.324CS..Hα-helixtrans-54.6-35.5177.8-28.935.9000113.9L209 C248 C251P205-L209 VanDerWaalsContact O-CB 3.23Å; P205-L209 WeakPolarHBondContact O-CB 3.47Å; P205-L209 PolarHBondContact O-N 3.09Å; P205-C248 WeakPolarHBondContact CA-O 3.36Å; P205-C251 HydrophobicContact CG-CB 4.24Å
206A96.8Very high96.3Very high73 Ų7359.4 Ų59.460%0.60333%0.325SS*.Hα-helixtrans-67.5-41.4175.700000112.7S204 M210S204-A206 PolarHBondContact O-N 3.22Å; S204-A206 VanDerWaalsContact O-N 3.13Å; A206-M210 WeakPolarHBondContact O-CB 3.43Å; A206-M210 PolarHBondContact O-N 3.36Å
207E97Very high96.3Very high97 Ų9760.9 Ų60.945%0.45333%0.333SS..Hα-helixtrans-67.6-42.5175.2-71.3163.4146.400111.2E203 S204 M210 L211E203-E207 HydrophobicContact CB-CB 4.16Å; S204-E207 WeakPolarHBondContact CB-OE2 3.23Å; S204-E207 PolarHBondContact N-OE2 3.15Å; S204-E207 PolarHBondContact O-N 2.88Å; S204-E207 VanDerWaalsContact OG-CD 3.22Å; S204-E207 VanDerWaalsContact OG-CG 3.25Å; S204-E207 WeakPolarHBondContact OG-CG 3.47Å; S204-E207 PolarHBondContact OG-N 3.31Å; S204-E207 PolarHBondContact OG-OE2 3.31Å; E207-M210 WeakPolarHBondContact O-CB 3.31Å; E207-M210 PolarHBondContact O-N 3.29Å; E207-L211 WeakPolarHBondContact O-CG 3.44Å; E207-L211 PolarHBondContact O-N 2.87Å
208A97.1Very high96.4Very high0 Ų059.8 Ų59.80%033%0.327CS..Hα-helixtrans-60.8-46.5174.800000111.7L124 E203 S204 M210 L211 R212 V247 C248L124-A208 HydrophobicContact CD2-CB 3.97Å; E203-A208 HydrophobicContact CB-CB 4.24Å; S204-A208 PolarHBondContact O-N 3.43Å; A208-M210 VanDerWaalsContact C-N 3.32Å; A208-M210 PolarHBondContact O-N 3.13Å; A208-L211 PolarHBondContact O-N 3.32Å; A208-R212 WeakPolarHBondContact O-CB 3.41Å; A208-R212 PolarHBondContact O-N 3.41Å; A208-V247 HydrophobicContact CB-CB 4.5Å; A208-V247 HydrophobicContact CB-CG1 3.36Å; A208-C248 WeakPolarHBondContact CB-O 3.45Å
209L97.3Very high96.6Very high62 Ų6255.5 Ų55.533%0.32531%0.308SS..Hα-helixtrans-60.4-43.7175-179.161.2000110.9P205 R212 R213 C249P205-L209 VanDerWaalsContact O-CB 3.23Å; P205-L209 WeakPolarHBondContact O-CB 3.47Å; P205-L209 PolarHBondContact O-N 3.09Å; L209-R212 PolarHBondContact O-N 2.81Å; L209-R213 HydrophobicContact CD1-CG 4.2Å; L209-R213 HydrophobicContact CG-CG 4.36Å; L209-R213 WeakPolarHBondContact O-CB 3.48Å; L209-R213 WeakPolarHBondContact O-CG 3.41Å; L209-R213 PolarHBondContact O-N 3.17Å; L209-C249 HydrophobicContact CB-CB 4.09Å; L209-C249 HydrophobicContact CD1-CB 4.28Å
210M98Very high96.8Very high86 Ų8655 Ų5542%0.42430%0.303SS..Hα-helixtrans-57.4-51.6175177.9-171.669.100111.1M142 A206 E207 A208 R212 R213 L214M142-M210 HydrophobicContact CE-CE 3.89Å; A206-M210 WeakPolarHBondContact O-CB 3.43Å; A206-M210 PolarHBondContact O-N 3.36Å; E207-M210 WeakPolarHBondContact O-CB 3.31Å; E207-M210 PolarHBondContact O-N 3.29Å; A208-M210 VanDerWaalsContact C-N 3.32Å; A208-M210 PolarHBondContact O-N 3.13Å; M210-R212 VanDerWaalsContact C-N 3.32Å; M210-R212 PolarHBondContact O-N 3.1Å; M210-R213 PolarHBondContact O-N 3.37Å; M210-R213 VanDerWaalsContact O-N 3.11Å; M210-L214 HydrophobicContact CG-CD1 3.93Å; M210-L214 HydrophobicContact CG-CG 4.39Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.39Å; M210-L214 PolarHBondContact O-N 3.46Å
211L98.2Very high96.9Very high3 Ų351.7 Ų51.72%0.01628%0.279CS..Hα-helixtrans-60.1-42.3179.6-68.5174.8000111.9L124 M142 T197 E203 E207 A208 R213 L214 G215 G216 V219L124-L211 HydrophobicContact CD1-CB 3.62Å; L124-L211 HydrophobicContact CD1-CD1 4.47Å; M142-L211 HydrophobicContact CG-CD2 3.72Å; M142-L211 HydrophobicContact SD-CD2 4.06Å; T197-L211 HydrophobicContact CG2-CD1 3.86Å; E203-L211 HydrophobicContact CG-CD1 4.06Å; E207-L211 WeakPolarHBondContact O-CG 3.44Å; E207-L211 PolarHBondContact O-N 2.87Å; A208-L211 PolarHBondContact O-N 3.32Å; L211-R213 PolarHBondContact O-N 2.96Å; L211-L214 PolarHBondContact O-N 3.31Å; L211-G215 PolarHBondContact O-N 2.99Å; L211-G216 PolarHBondContact O-N 3.11Å; L211-V219 HydrophobicContact CD1-CB 4.27Å; L211-V219 HydrophobicContact CD1-CG2 3.58Å
212R97.7Very high97Very high77 Ų7749.6 Ų49.629%0.29126%0.256SS..Hα-helixtrans-58.6-46173.4-179.3-173.1-72.8174-0.9111.1L124 A208 L209 M210 L214 G215 C249L124-R212 HydrophobicContact CB-CB 4.43Å; L124-R212 PolarHBondContact O-NE 3.38Å; L124-R212 PolarHBondContact O-NH2 2.95Å; A208-R212 WeakPolarHBondContact O-CB 3.41Å; A208-R212 PolarHBondContact O-N 3.41Å; L209-R212 PolarHBondContact O-N 2.81Å; M210-R212 VanDerWaalsContact C-N 3.32Å; M210-R212 PolarHBondContact O-N 3.1Å; R212-L214 VanDerWaalsContact C-N 3.31Å; R212-L214 PolarHBondContact O-N 3.29Å; R212-G215 PolarHBondContact O-N 3.21Å; R212-C249 PolarHBondContact NH2-SG 3.01Å
213R97.9Very high97.2Very high205 Ų20544.3 Ų44.377%0.77424%0.236SC*.Hα-helixtrans-67.4-30.5178.9-67.6-69.9-177.2-176.41.1112.9L209 M210 L211 G215L209-R213 HydrophobicContact CD1-CG 4.2Å; L209-R213 HydrophobicContact CG-CG 4.36Å; L209-R213 WeakPolarHBondContact O-CB 3.48Å; L209-R213 WeakPolarHBondContact O-CG 3.41Å; L209-R213 PolarHBondContact O-N 3.17Å; M210-R213 PolarHBondContact O-N 3.37Å; M210-R213 VanDerWaalsContact O-N 3.11Å; L211-R213 PolarHBondContact O-N 2.96Å; R213-G215 PolarHBondContact O-N 3.18Å
214L97.7Very high97.4Very high103 Ų10342.9 Ų42.954%0.53923%0.229SC..THydrogen-bonded Turntrans-75.5-2.8172.1-67.6174.3000113.1I140 M210 L211 R212I140-L214 HydrophobicContact CD1-CB 4.19Å; M210-L214 HydrophobicContact CG-CD1 3.93Å; M210-L214 HydrophobicContact CG-CG 4.39Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.39Å; M210-L214 PolarHBondContact O-N 3.46Å; L211-L214 PolarHBondContact O-N 3.31Å; R212-L214 VanDerWaalsContact C-N 3.31Å; R212-L214 PolarHBondContact O-N 3.29Å
215G97.8Very high97.4Very high32 Ų3240.6 Ų40.633%0.3321%0.213SC..THydrogen-bonded Turntrans95.912.4175.500000114.7I193 L211 R212 R213I193-G215 WeakPolarHBondContact CB-O 3.47Å; L211-G215 PolarHBondContact O-N 2.99Å; R212-G215 PolarHBondContact O-N 3.21Å; R213-G215 PolarHBondContact O-N 3.18Å
216G98.4Very high97.6Very high3 Ų338.9 Ų38.93%0.03120%0.202CC..  trans-70.7130.4170.900000112L124 S195 L211L124-G216 WeakPolarHBondContact CB-O 3.39Å; S195-G216 WeakPolarHBondContact OG-CA 3.16Å; L211-G216 PolarHBondContact O-N 3.11Å
217D98.7Very high97.6Very high31 Ų3135.4 Ų35.417%0.16617%0.173CC..SBendtrans-96.2-27.3176-67.7-69.5000112.7L124 N125 Y128 M134 G192 I193L124-D217 PolarHBondContact N-O 3.03Å; N125-D217 HydrophobicContact CB-CB 4.11Å; N125-D217 PolarHBondContact N-O 3.4Å; N125-D217 PolarHBondContact ND2-OD1 3.41Å; Y128-D217 HydrophobicContact CE2-CB 3.69Å; M134-D217 HydrophobicContact SD-CB 4.07Å; G192-D217 WeakPolarHBondContact CA-OD2 3.44Å; I193-D217 PolarHBondContact N-OD2 2.81Å; I193-D217 PolarHBondContact O-N 2.84Å
218A98.6Very high97.7Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-142.4159.3173.400000110.5A121 G122 M134 I193 Y194 S195 I243A121-A218 HydrophobicContact CB-CB 3.92Å; G122-A218 CarbonylContact O-C 3.38Å; G122-A218 WeakPolarHBondContact O-CA 3.19Å; M134-A218 HydrophobicContact CE-CB 3.52Å; M134-A218 HydrophobicContact SD-CB 3.97Å; I193-A218 PolarHBondContact O-N 3.41Å; Y194-A218 HydrophobicContact CD2-CB 4.38Å; S195-A218 PolarHBondContact N-O 2.85Å; A218-I243 HydrophobicContact CB-CD1 3.88Å
219V98.3Very high97.7Very high1 Ų131.5 Ų31.51%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-132146.3178.9660000111.8A121 G122 L124 S195 T197 E203 L211 V247A121-V219 CarbonylContact C-O 3.53Å; A121-V219 VanDerWaalsContact CA-O 3.23Å; A121-V219 WeakPolarHBondContact CA-O 3.16Å; A121-V219 WeakPolarHBondContact CB-O 3.46Å; G122-V219 PolarHBondContact N-O 3.02Å; G122-V219 PolarHBondContact O-N 3.43Å; L124-V219 HydrophobicContact CD1-CB 3.93Å; L124-V219 HydrophobicContact CD1-CG1 4.41Å; L124-V219 HydrophobicContact CD2-CG1 4.17Å; L124-V219 HydrophobicContact CG-CB 4.14Å; L124-V219 HydrophobicContact CG-CG1 4.09Å; S195-V219 CarbonylContact O-C 3.47Å; S195-V219 VanDerWaalsContact O-CA 3.28Å; S195-V219 WeakPolarHBondContact O-CA 3.42Å; T197-V219 HydrophobicContact CG2-CG2 3.73Å; E203-V219 VanDerWaalsContact CD-CG2 3.49Å; E203-V219 HydrophobicContact CG-CG2 4.04Å; E203-V219 WeakPolarHBondContact OE1-CG2 3.24Å; L211-V219 HydrophobicContact CD1-CB 4.27Å; L211-V219 HydrophobicContact CD1-CG2 3.58Å; V219-V247 HydrophobicContact CG1-CG2 3.9Å
220G97Very high97.8Very high9 Ų928.6 Ų28.69%0.09314%0.14CC..EExtended strand (participates in β ladder)trans-170.2-175.3169.100000112Y194 S195 M196 T197Y194-G220 WeakPolarHBondContact OH-CA 3.48Å; Y194-G220 PolarHBondContact OH-O 2.99Å; S195-G220 PolarHBondContact O-N 3.1Å; M196-G220 CarbonylContact C-O 3.59Å; M196-G220 VanDerWaalsContact CA-O 3.23Å; M196-G220 WeakPolarHBondContact CA-O 3.48Å; T197-G220 PolarHBondContact N-O 3.36Å; T197-G220 PolarHBondContact OG1-O 2.93Å
221M95.9Very high97.8Very high25 Ų2526 Ų2612%0.12313%0.127CC..SBendtrans-11016.3-166.2-56.8168.8-169.900113.4Y92 Y194 G199 G201 Y202Y92-M221 HydrophobicContact CD1-CB 3.92Å; Y92-M221 HydrophobicContact CD1-SD 4.26Å; Y92-M221 HydrophobicContact CE1-CB 3.67Å; Y92-M221 HydrophobicContact CE1-SD 4.1Å; Y194-M221 PolarHBondContact OH-N 3.37Å; G199-M221 VanDerWaalsContact CA-SD 3.52Å; G201-M221 VanDerWaalsContact O-CE 3.24Å; G201-M221 WeakPolarHBondContact O-CE 3.44Å; Y202-M221 HydrophobicContact CD1-CE 3.71Å; Y202-M221 HydrophobicContact CE1-CE 4.07Å; Y202-M221 HydrophobicContact CG-CE 4.31Å
222S95.8Very high97.8Very high8 Ų826.1 Ų26.16%0.05613%0.128CC..SBendtrans-141.4-162.6-174.376.10000113.9R88 Y194 V224R88-S222 PolarHBondContact NH1-OG 3Å; Y194-S222 WeakPolarHBondContact CE1-O 3.44Å; Y194-S222 PolarHBondContact OH-N 3.31Å; Y194-S222 PolarHBondContact OH-O 3.36Å; S222-V224 PolarHBondContact O-N 3.33Å
223T97.5Very high97.8Very high0 Ų022.6 Ų22.60%012%0.115CC..SBendtrans75.3-50.3165.1-55.30000115R88 I117 N119 I136 E226 A227R88-T223 PolarHBondContact NH1-OG1 3.45Å; I117-T223 HydrophobicContact CB-CG2 4.32Å; I117-T223 HydrophobicContact CG2-CG2 3.71Å; N119-T223 WeakPolarHBondContact CB-OG1 3.26Å; N119-T223 PolarHBondContact ND2-OG1 2.95Å; I136-T223 HydrophobicContact CD1-CG2 3.91Å; T223-E226 VanDerWaalsContact CA-OE2 3.25Å; T223-E226 WeakPolarHBondContact CA-OE2 3.32Å; T223-E226 PolarHBondContact N-OE2 3.45Å; T223-E226 PolarHBondContact O-N 2.91Å; T223-A227 WeakPolarHBondContact O-CB 3.43Å; T223-A227 PolarHBondContact O-N 3.37Å
224V98.2Very high97.8Very high0 Ų015.9 Ų15.90%011%0.109CC..Hα-helixtrans-69.9-40.3-169.6171.70000112.1H139 A141 Y194 M196 S222 E226 A227 I228H139-V224 HydrophobicContact CB-CG1 4.42Å; H139-V224 HydrophobicContact CB-CG2 3.6Å; A141-V224 HydrophobicContact CB-CG1 3.42Å; A141-V224 VanDerWaalsContact CB-CG1 3.42Å; Y194-V224 HydrophobicContact CD1-CG2 3.63Å; Y194-V224 HydrophobicContact CE1-CG2 3.82Å; M196-V224 HydrophobicContact CB-CB 3.69Å; M196-V224 HydrophobicContact CB-CG1 4.42Å; M196-V224 HydrophobicContact CB-CG2 3.54Å; M196-V224 HydrophobicContact CG-CB 4.29Å; M196-V224 HydrophobicContact SD-CB 3.74Å; S222-V224 PolarHBondContact O-N 3.33Å; V224-E226 PolarHBondContact O-N 3.19Å; V224-A227 PolarHBondContact O-N 2.94Å; V224-I228 HydrophobicContact CG1-CD1 3.8Å; V224-I228 HydrophobicContact CG1-CG1 4.38Å; V224-I228 VanDerWaalsContact O-CG1 3.25Å; V224-I228 WeakPolarHBondContact O-CG1 3.41Å; V224-I228 PolarHBondContact O-N 3.22Å
225H96.7Very high97.8Very high0 Ų011.3 Ų11.30%09%0.085CC..Hα-helixtrans-63.8-40.2175.854.5-86.7000112.1V101 P150 M196 I228 A229V101-H225 HydrophobicContact CG1-CB 4.06Å; V101-H225 WeakPolarHBondContact CG1-O 3.29Å; P150-H225 HydrophobicContact CB-CB 4.5Å; P150-H225 HydrophobicContact CG-CB 4.17Å; M196-H225 VanDerWaalsContact CE-ND1 3.25Å; M196-H225 WeakPolarHBondContact CE-ND1 3.45Å; M196-H225 PolarHBondContact SD-ND1 3.31Å; M196-H225 VanDerWaalsContact SD-ND1 3.39Å; H225-I228 PolarHBondContact O-N 2.98Å; H225-A229 WeakPolarHBondContact O-CB 3.49Å; H225-A229 PolarHBondContact O-N 3.13Å
226E98Very high97.8Very high2 Ų213.2 Ų13.21%0.0099%0.085CC..Hα-helixtrans-63.6-44.1174.3-64.6160.1137.700111.1I34 R88 I104 I117 T223 V224 A229 A230I34-E226 HydrophobicContact CD1-CB 4.2Å; I34-E226 HydrophobicContact CD1-CG 4.16Å; R88-E226 IonicContact NH1-OE2 3.92Å; I104-E226 HydrophobicContact CD1-CB 4.28Å; I104-E226 HydrophobicContact CG1-CB 4.2Å; I117-E226 HydrophobicContact CD1-CB 3.9Å; T223-E226 VanDerWaalsContact CA-OE2 3.25Å; T223-E226 WeakPolarHBondContact CA-OE2 3.32Å; T223-E226 PolarHBondContact N-OE2 3.45Å; T223-E226 PolarHBondContact O-N 2.91Å; V224-E226 PolarHBondContact O-N 3.19Å; E226-A229 PolarHBondContact O-N 3.33Å; E226-A230 WeakPolarHBondContact O-CB 3.41Å; E226-A230 PolarHBondContact O-N 3.38Å
227A98.6Very high97.8Very high0 Ų013.1 Ų13.10%08%0.083CC..Hα-helixtrans-62.7-44.3177.400000112I117 V169 Y170 T223 V224 A229 A230 I231 V237I117-A227 HydrophobicContact CD1-CB 4.12Å; V169-A227 HydrophobicContact CG1-CB 3.71Å; Y170-A227 HydrophobicContact CE1-CB 4.46Å; T223-A227 WeakPolarHBondContact O-CB 3.43Å; T223-A227 PolarHBondContact O-N 3.37Å; V224-A227 PolarHBondContact O-N 2.94Å; A227-A229 PolarHBondContact O-N 3.38Å; A227-A230 PolarHBondContact O-N 2.95Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 3.44Å; A227-V237 HydrophobicContact CB-CG1 4.31Å
228I98.1Very high97.8Very high15 Ų1511.6 Ų11.68%0.0778%0.075CC..Hα-helixtrans-59.7-45.9175.2-70.5165.3000110.7A141 P150 L151 M166 V224 H225 A230 I231 H232A141-I228 HydrophobicContact CB-CD1 4.35Å; P150-I228 HydrophobicContact CG-CB 3.97Å; P150-I228 HydrophobicContact CG-CG2 3.65Å; L151-I228 HydrophobicContact CD1-CG2 3.83Å; L151-I228 HydrophobicContact CD2-CG2 4.39Å; L151-I228 HydrophobicContact CG-CG2 3.83Å; M166-I228 HydrophobicContact CE-CG2 3.87Å; M166-I228 HydrophobicContact SD-CG1 4.21Å; V224-I228 HydrophobicContact CG1-CD1 3.8Å; V224-I228 HydrophobicContact CG1-CG1 4.38Å; V224-I228 VanDerWaalsContact O-CG1 3.25Å; V224-I228 WeakPolarHBondContact O-CG1 3.41Å; V224-I228 PolarHBondContact O-N 3.22Å; H225-I228 PolarHBondContact O-N 2.98Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 2.93Å; I228-I231 PolarHBondContact O-N 2.89Å; I228-H232 WeakPolarHBondContact O-CB 3.22Å; I228-H232 PolarHBondContact O-N 3.35Å
229A97.7Very high97.8Very high0 Ų011.6 Ų11.60%08%0.075CC..Hα-helixtrans-64.2-36.8177.700000112.2V101 I104 H225 E226 A227 H232 C233V101-A229 HydrophobicContact CB-CB 3.61Å; V101-A229 HydrophobicContact CG1-CB 3.84Å; V101-A229 HydrophobicContact CG2-CB 3.86Å; I104-A229 HydrophobicContact CB-CB 4.16Å; I104-A229 HydrophobicContact CG1-CB 4.42Å; I104-A229 HydrophobicContact CG2-CB 3.89Å; H225-A229 WeakPolarHBondContact O-CB 3.49Å; H225-A229 PolarHBondContact O-N 3.13Å; E226-A229 PolarHBondContact O-N 3.33Å; A227-A229 PolarHBondContact O-N 3.38Å; A229-H232 PolarHBondContact O-N 3.15Å; A229-C233 WeakPolarHBondContact O-CB 3.24Å; A229-C233 PolarHBondContact O-N 2.83Å; A229-C233 PolarHBondContact O-SG 3.48Å
230A98.5Very high97.8Very high0 Ų011.6 Ų11.60%08%0.075CC..Hα-helixtrans-67-42.117800000111.3I104 V115 E226 A227 I228 C233 G234 M235 V237I104-A230 HydrophobicContact CD1-CB 4.49Å; I104-A230 HydrophobicContact CG2-CB 4.03Å; V115-A230 HydrophobicContact CG2-CB 4.45Å; E226-A230 WeakPolarHBondContact O-CB 3.41Å; E226-A230 PolarHBondContact O-N 3.38Å; A227-A230 PolarHBondContact O-N 2.95Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 2.93Å; A230-C233 CarbonylContact O-C 3.57Å; A230-C233 WeakPolarHBondContact O-CA 3.3Å; A230-C233 WeakPolarHBondContact O-CB 3.17Å; A230-C233 PolarHBondContact O-N 2.64Å; A230-C233 VanDerWaalsContact O-N 3.14Å; A230-G234 PolarHBondContact O-N 3.47Å; A230-M235 HydrophobicContact CB-CB 4.22Å; A230-M235 HydrophobicContact CB-SD 4.19Å; A230-M235 WeakPolarHBondContact O-CB 3.42Å; A230-M235 PolarHBondContact O-N 2.87Å; A230-V237 HydrophobicContact CB-CG2 3.54Å
231I98.4Very high97.9Very high31 Ų3111.2 Ų11.216%0.1597%0.071CC..Hα-helixtrans-63.1-42.9173.2-67.1-56.4000111.5P164 S165 M166 V169 A227 I228 C233 G234 V237P164-I231 HydrophobicContact CB-CG2 4.45Å; S165-I231 WeakPolarHBondContact O-CG2 3.35Å; M166-I231 HydrophobicContact CE-CB 4.33Å; M166-I231 HydrophobicContact CE-CG2 3.96Å; M166-I231 HydrophobicContact SD-CB 4.22Å; M166-I231 HydrophobicContact SD-CG2 3.96Å; V169-I231 HydrophobicContact CB-CG1 4.22Å; V169-I231 HydrophobicContact CG1-CD1 4.49Å; V169-I231 HydrophobicContact CG1-CG1 3.87Å; V169-I231 HydrophobicContact CG2-CG1 4.26Å; V169-I231 WeakPolarHBondContact O-CD1 3.23Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 3.44Å; I228-I231 PolarHBondContact O-N 2.89Å; I231-C233 PolarHBondContact O-N 3.17Å; I231-G234 PolarHBondContact O-N 3.5Å; I231-V237 HydrophobicContact CD1-CG2 4.28Å
232H97.9Very high97.9Very high7 Ų710 Ų103%0.0327%0.065CC..Hα-helixtrans-58.8-38.3173.6179.3-155.9000111.6R105 L151 N155 G160 T161 P164 I228 A229 G234R105-H232 PolarHBondContact NH1-ND1 3.43Å; R105-H232 PolarHBondContact NH2-CE1 3.13Å; R105-H232 PolarHBondContact NH2-ND1 3Å; L151-H232 HydrophobicContact CD1-CB 4.16Å; L151-H232 HydrophobicContact CD2-CB 3.93Å; L151-H232 WeakPolarHBondContact CD2-ND1 3.42Å; N155-H232 PolarHBondContact OD1-CE1 2.93Å; N155-H232 PolarHBondContact OD1-NE2 3.5Å; G160-H232 WeakPolarHBondContact CA-NE2 3.13Å; G160-H232 WeakPolarHBondContact CA-O 3.19Å; G160-H232 PolarHBondContact N-NE2 3.41Å; G160-H232 PolarHBondContact O-NE2 2.96Å; T161-H232 PolarHBondContact O-CD2 3Å; T161-H232 VanDerWaalsContact O-CD2 3.27Å; T161-H232 PolarHBondContact O-NE2 3.31Å; P164-H232 HydrophobicContact CG-CB 4.23Å; I228-H232 WeakPolarHBondContact O-CB 3.22Å; I228-H232 PolarHBondContact O-N 3.35Å; A229-H232 PolarHBondContact O-N 3.15Å; H232-G234 PolarHBondContact O-N 2.91Å
233C97.9Very high98Very high2 Ų29.7 Ų9.71%0.0146%0.062CC..THydrogen-bonded Turntrans-73.4-0.3173.4-74.50000114.8R105 K108 F159 A229 A230 I231 M235R105-C233 PolarHBondContact NH1-SG 2.67Å; K108-C233 HydrophobicContact CB-CB 4.12Å; K108-C233 HydrophobicContact CD-CB 4.1Å; K108-C233 WeakPolarHBondContact CD-O 3.46Å; K108-C233 WeakPolarHBondContact CE-O 3.41Å; K108-C233 HydrophobicContact CG-CB 4.11Å; K108-C233 PolarHBondContact NZ-O 3.05Å; F159-C233 WeakPolarHBondContact O-CA 3.31Å; A229-C233 WeakPolarHBondContact O-CB 3.24Å; A229-C233 PolarHBondContact O-N 2.83Å; A229-C233 PolarHBondContact O-SG 3.48Å; A230-C233 CarbonylContact O-C 3.57Å; A230-C233 WeakPolarHBondContact O-CA 3.3Å; A230-C233 WeakPolarHBondContact O-CB 3.17Å; A230-C233 PolarHBondContact O-N 2.64Å; A230-C233 VanDerWaalsContact O-N 3.14Å; I231-C233 PolarHBondContact O-N 3.17Å; C233-M235 VanDerWaalsContact C-N 3.3Å; C233-M235 HydrophobicContact CB-CE 4.09Å; C233-M235 HydrophobicContact CB-CG 4.15Å; C233-M235 HydrophobicContact CB-SD 4.21Å; C233-M235 PolarHBondContact O-N 3.3Å
234G97.6Very high97.8Very high64 Ų649.7 Ų9.766%0.666%0.063SC*.THydrogen-bonded Turntrans69.722.9-177.100000114.3A230 I231 H232A230-G234 PolarHBondContact O-N 3.47Å; I231-G234 PolarHBondContact O-N 3.5Å; H232-G234 PolarHBondContact O-N 2.91Å
235M98.3Very high97.7Very high7 Ų710.5 Ų10.53%0.0347%0.067CC..  trans-85.4158.3176.1-62.5169.8177.600111.3I104 M107 K108 V112 Q113 V115 A230 C233I104-M235 HydrophobicContact CG2-SD 4.32Å; M107-M235 HydrophobicContact CB-CE 3.89Å; K108-M235 HydrophobicContact CB-CE 3.48Å; K108-M235 VanDerWaalsContact CB-CE 3.48Å; K108-M235 HydrophobicContact CD-CE 4.22Å; K108-M235 HydrophobicContact CG-CE 4.42Å; V112-M235 HydrophobicContact CB-CE 4.28Å; V112-M235 HydrophobicContact CG1-CE 4.45Å; V112-M235 WeakPolarHBondContact O-CE 3.2Å; Q113-M235 WeakPolarHBondContact O-CA 3.25Å; V115-M235 HydrophobicContact CG2-CB 4.36Å; V115-M235 HydrophobicContact CG2-SD 3.49Å; V115-M235 WeakPolarHBondContact CG2-SD 3.23Å; A230-M235 HydrophobicContact CB-CB 4.22Å; A230-M235 HydrophobicContact CB-SD 4.19Å; A230-M235 WeakPolarHBondContact O-CB 3.42Å; A230-M235 PolarHBondContact O-N 2.87Å; C233-M235 VanDerWaalsContact C-N 3.3Å; C233-M235 HydrophobicContact CB-CE 4.09Å; C233-M235 HydrophobicContact CB-CG 4.15Å; C233-M235 HydrophobicContact CB-SD 4.21Å; C233-M235 PolarHBondContact O-N 3.3Å
236K98.4Very high97.5Very high73 Ų7314.3 Ų14.332%0.3179%0.091SC..EExtended strand (participates in β ladder)trans-93.7130.5171.1-64.5168.4-179.81650109.4Q113 T114 V115 H171 Y174Q113-K236 PolarHBondContact O-N 2.99Å; T114-K236 CarbonylContact C-O 3.54Å; T114-K236 VanDerWaalsContact CA-O 3.32Å; T114-K236 WeakPolarHBondContact CA-O 3.24Å; V115-K236 PolarHBondContact N-O 3.28Å; H171-K236 HydrophobicContact CB-CB 4.17Å; Y174-K236 HydrophobicContact CD2-CB 4.18Å; Y174-K236 HydrophobicContact CE2-CB 3.44Å; Y174-K236 VanDerWaalsContact CE2-CB 3.44Å; Y174-K236 HydrophobicContact CE2-CD 3.91Å; Y174-K236 HydrophobicContact CE2-CG 4.3Å; Y174-K236 VanDerWaalsContact OH-CD 3.29Å; Y174-K236 WeakPolarHBondContact OH-CD 2.93Å
237V98.8Very high97.3Very high0 Ų014.8 Ų14.80%09%0.094CC..EExtended strand (participates in β ladder)trans-110138.6-176.8-175.30000111.1V115 I117 V169 Y170 H171 A227 A230 I231V115-V237 CarbonylContact O-C 3.44Å; V115-V237 WeakPolarHBondContact O-CA 3.4Å; I117-V237 HydrophobicContact CD1-CG1 3.83Å; I117-V237 HydrophobicContact CG1-CG1 4.23Å; V169-V237 WeakPolarHBondContact O-CB 3.28Å; Y170-V237 HydrophobicContact CD1-CG1 4.15Å; Y170-V237 HydrophobicContact CE1-CG1 4.3Å; H171-V237 WeakPolarHBondContact CB-O 3.17Å; H171-V237 PolarHBondContact N-O 2.83Å; A227-V237 HydrophobicContact CB-CG1 4.31Å; A230-V237 HydrophobicContact CB-CG2 3.54Å; I231-V237 HydrophobicContact CD1-CG2 4.28Å
238L98.6Very high97Very high0 Ų015.8 Ų15.80%010%0.1CC..EExtended strand (participates in β ladder)trans-123.2128.1165-174.965.1000108.4V115 I116 I117 L135 R175 M178 F240 F281V115-L238 PolarHBondContact O-N 3.23Å; I116-L238 CarbonylContact C-O 3.49Å; I116-L238 VanDerWaalsContact CA-O 3.31Å; I116-L238 WeakPolarHBondContact CA-O 3.04Å; I116-L238 HydrophobicContact CG1-CB 4.35Å; I117-L238 PolarHBondContact N-O 2.91Å; L135-L238 HydrophobicContact CD1-CD1 3.62Å; L135-L238 HydrophobicContact CD1-CG 4.49Å; R175-L238 HydrophobicContact CG-CD1 4.19Å; M178-L238 HydrophobicContact CE-CD2 4.47Å; L238-F240 HydrophobicContact CD1-CE2 4.41Å; L238-F240 HydrophobicContact CD1-CZ 4.22Å; L238-F240 HydrophobicContact CD2-CE2 3.58Å; L238-F240 HydrophobicContact CD2-CZ 3.66Å; L238-F240 HydrophobicContact CG-CD2 4.5Å; L238-F240 HydrophobicContact CG-CE2 3.52Å; L238-F240 HydrophobicContact CG-CZ 3.75Å; L238-F281 HydrophobicContact CD2-CD1 4.09Å; L238-F281 HydrophobicContact CD2-CD2 3.98Å; L238-F281 HydrophobicContact CD2-CE1 3.76Å; L238-F281 HydrophobicContact CD2-CE2 3.62Å; L238-F281 HydrophobicContact CD2-CG 4.21Å; L238-F281 HydrophobicContact CD2-CZ 3.51Å
239G98.5Very high96.7Very high0 Ų015.7 Ų15.70%010%0.101CC..EExtended strand (participates in β ladder)trans-121.3140.4-172.400000112.6I117 I136I117-G239 CarbonylContact O-C 3.46Å; I117-G239 VanDerWaalsContact O-CA 3.29Å; I117-G239 WeakPolarHBondContact O-CA 3.2Å; I136-G239 PolarHBondContact N-O 3.05Å
240F98.3Very high96.4Very high1 Ų119.2 Ų19.20%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-133.8143.1174.3-60.2-86.8000111.9I116 I117 T118 N119 I133 M134 L135 M178 L238 L274 L278I116-F240 HydrophobicContact CG2-CD2 4.24Å; I116-F240 HydrophobicContact CG2-CE2 4.23Å; I117-F240 PolarHBondContact O-N 2.68Å; T118-F240 CarbonylContact C-O 3.59Å; T118-F240 VanDerWaalsContact CA-O 3.27Å; T118-F240 WeakPolarHBondContact CA-O 3.42Å; T118-F240 HydrophobicContact CG2-CB 4.42Å; T118-F240 HydrophobicContact CG2-CD2 4.43Å; N119-F240 PolarHBondContact N-O 3.19Å; N119-F240 PolarHBondContact ND2-O 3.1Å; I133-F240 HydrophobicContact CG2-CD1 4.14Å; M134-F240 CarbonylContact O-C 3.59Å; M134-F240 VanDerWaalsContact O-CA 3.32Å; M134-F240 WeakPolarHBondContact O-CA 3.33Å; L135-F240 HydrophobicContact CB-CE1 4.47Å; L135-F240 HydrophobicContact CD1-CD1 4.18Å; L135-F240 HydrophobicContact CD1-CE1 3.58Å; L135-F240 HydrophobicContact CD1-CZ 3.86Å; M178-F240 HydrophobicContact CE-CE1 4.1Å; M178-F240 HydrophobicContact CE-CE2 4.33Å; M178-F240 HydrophobicContact CE-CZ 3.47Å; M178-F240 VanDerWaalsContact CE-CZ 3.47Å; M178-F240 HydrophobicContact CG-CE1 3.72Å; M178-F240 HydrophobicContact CG-CZ 3.73Å; M178-F240 HydrophobicContact SD-CE1 4.28Å; M178-F240 HydrophobicContact SD-CZ 4.19Å; L238-F240 HydrophobicContact CD1-CE2 4.41Å; L238-F240 HydrophobicContact CD1-CZ 4.22Å; L238-F240 HydrophobicContact CD2-CE2 3.58Å; L238-F240 HydrophobicContact CD2-CZ 3.66Å; L238-F240 HydrophobicContact CG-CD2 4.5Å; L238-F240 HydrophobicContact CG-CE2 3.52Å; L238-F240 HydrophobicContact CG-CZ 3.75Å; F240-L274 HydrophobicContact CB-CD1 4.18Å; F240-L274 HydrophobicContact CB-CD2 4.2Å; F240-L274 HydrophobicContact CD1-CD1 3.79Å; F240-L274 HydrophobicContact CD2-CD1 4.25Å; F240-L274 HydrophobicContact CE1-CD1 4.24Å; F240-L274 HydrophobicContact CG-CD1 3.8Å; F240-L278 HydrophobicContact CD2-CD2 4.15Å; F240-L278 HydrophobicContact CE2-CD2 3.61Å; F240-L278 HydrophobicContact CZ-CD2 4.19Å
241S97.9Very high95.9Very high0 Ų024 Ų240%015%0.152CC..EExtended strand (participates in β ladder)trans-122133.7167-65.40000108.7N119 M134 Y194N119-S241 VanDerWaalsContact CG-OG 3.3Å; N119-S241 PolarHBondContact ND2-OG 3.28Å; N119-S241 WeakPolarHBondContact O-CA 3.18Å; N119-S241 WeakPolarHBondContact OD1-CA 3.5Å; N119-S241 WeakPolarHBondContact OD1-CB 3.36Å; N119-S241 PolarHBondContact OD1-OG 3Å; M134-S241 PolarHBondContact N-O 3.34Å; M134-S241 PolarHBondContact O-N 3.21Å; Y194-S241 VanDerWaalsContact CD2-OG 3.22Å; Y194-S241 WeakPolarHBondContact CD2-OG 3.46Å
242I97Very high95.6Very high1 Ų129.2 Ų29.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-94.5128.1163-66.3174.1000106.5L39 N119 A121 I133 A244 M267 A270 L274L39-I242 HydrophobicContact CD1-CD1 4.31Å; L39-I242 HydrophobicContact CD2-CD1 4.46Å; N119-I242 PolarHBondContact O-N 2.85Å; A121-I242 PolarHBondContact N-O 3.28Å; I133-I242 HydrophobicContact CG1-CG1 4.4Å; I242-A244 PolarHBondContact O-N 3.27Å; I242-A244 VanDerWaalsContact O-N 3.15Å; I242-M267 HydrophobicContact CB-CE 3.76Å; I242-M267 HydrophobicContact CB-SD 3.44Å; I242-M267 WeakPolarHBondContact CB-SD 3.32Å; I242-M267 HydrophobicContact CD1-CE 3.73Å; I242-M267 HydrophobicContact CD1-SD 4.17Å; I242-M267 HydrophobicContact CG1-CE 4.12Å; I242-M267 HydrophobicContact CG1-SD 4.34Å; I242-M267 HydrophobicContact CG2-CE 4.36Å; I242-M267 HydrophobicContact CG2-SD 3.48Å; I242-M267 WeakPolarHBondContact CG2-SD 3.47Å; I242-A270 HydrophobicContact CD1-CB 4.23Å; I242-A270 HydrophobicContact CG2-CB 3.63Å; I242-L274 HydrophobicContact CD1-CB 4.36Å; I242-L274 HydrophobicContact CD1-CD2 3.93Å; I242-L274 HydrophobicContact CG1-CD2 4.15Å
243I96.9Very high95Very high0 Ų034.1 Ų34.10%020%0.203CC..EExtended strand (participates in β ladder)trans-73.1106.6178.4-55.6-54.2000108.3A121 Y128 V130 G131 D132 M134 A218A121-I243 CarbonylContact O-C 3.49Å; A121-I243 WeakPolarHBondContact O-CA 3.44Å; Y128-I243 HydrophobicContact CD2-CD1 3.85Å; Y128-I243 HydrophobicContact CD2-CG1 4.02Å; Y128-I243 HydrophobicContact CE2-CD1 4.46Å; Y128-I243 HydrophobicContact CG-CG1 4.5Å; V130-I243 CarbonylContact C-O 3.6Å; V130-I243 WeakPolarHBondContact CA-O 3.32Å; G131-I243 PolarHBondContact N-O 2.92Å; D132-I243 HydrophobicContact CB-CB 4.47Å; D132-I243 HydrophobicContact CB-CG1 4.17Å; D132-I243 PolarHBondContact O-N 3.11Å; M134-I243 HydrophobicContact CB-CD1 4.49Å; A218-I243 HydrophobicContact CB-CD1 3.88Å
244A94.6Very high94.1Very high1 Ų142.3 Ų42.31%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-85.9-34-174.200000112.4A120 A121 V130 I242 V263A120-A244 HydrophobicContact CB-CB 4.28Å; A121-A244 PolarHBondContact O-N 2.77Å; V130-A244 WeakPolarHBondContact CG1-O 3.43Å; I242-A244 PolarHBondContact O-N 3.27Å; I242-A244 VanDerWaalsContact O-N 3.15Å; A244-V263 HydrophobicContact CB-CB 4.18Å; A244-V263 HydrophobicContact CB-CG1 3.8Å; A244-V263 HydrophobicContact CB-CG2 3.94Å
245N94.2Very high93.2Very high16 Ų1643 Ų439%0.08624%0.238CC..EExtended strand (participates in β ladder)trans-149.2161.5-179.264.6-69.2000109.6G122 G123 V258G122-N245 WeakPolarHBondContact CA-OD1 3.46Å; G123-N245 PolarHBondContact N-O 3.28Å; N245-V258 HydrophobicContact CB-CG1 4.44Å; N245-V258 HydrophobicContact CB-CG2 4.4Å; N245-V258 VanDerWaalsContact ND2-CG2 3.34Å; N245-V258 WeakPolarHBondContact ND2-CG2 3.34Å
246T93.5Very high92.2Very high81 Ų8150.5 Ų50.550%0.49727%0.273SS..EExtended strand (participates in β ladder)trans-89.1131.4167.9-56.70000108.4
247V93.4Very high91.4Very high12 Ų1254.3 Ų54.37%0.07330%0.297CS..PPolyproline II helixtrans-88124.4-179.7-172.30000109.7G122 G123 L124 A208 V219G122-V247 VanDerWaalsContact CA-CG2 3.49Å; G123-V247 PolarHBondContact O-N 3.2Å; L124-V247 HydrophobicContact CD2-CB 4.05Å; L124-V247 HydrophobicContact CD2-CG1 4.14Å; L124-V247 HydrophobicContact CD2-CG2 4.34Å; A208-V247 HydrophobicContact CB-CB 4.5Å; A208-V247 HydrophobicContact CB-CG1 3.36Å; V219-V247 HydrophobicContact CG1-CG2 3.9Å
248C92.3Very high90.7Very high21 Ų2156.4 Ų56.414%0.14231%0.31CS..PPolyproline II helixtrans-64.7138.3173.2178.90000111P205 A208 D250 V255P205-C248 WeakPolarHBondContact CA-O 3.36Å; A208-C248 WeakPolarHBondContact CB-O 3.45Å; C248-D250 PolarHBondContact SG-O 3.03Å; C248-V255 HydrophobicContact CB-CB 4.22Å; C248-V255 HydrophobicContact CB-CG1 3.92Å; C248-V255 HydrophobicContact CB-CG2 3.51Å
249C91.8Very high90.1Very high13 Ų1358.8 Ų58.89%0.08833%0.326CS..  trans-123.76.7-179.8-73.40000113L209 R212L209-C249 HydrophobicContact CB-CB 4.09Å; L209-C249 HydrophobicContact CD1-CB 4.28Å; R212-C249 PolarHBondContact NH2-SG 3.01Å
250D91.5Very high89.4Confident73 Ų7361.5 Ų61.539%0.3934%0.339SS..  trans-143.1122.5176.2-168.5-24.8000108.9C248 D252 E253C248-D250 PolarHBondContact SG-O 3.03Å; D250-D252 PolarHBondContact O-N 3.4Å; D250-D252 PolarHBondContact OD1-N 2.88Å; D250-E253 HydrophobicContact CB-CB 4.48Å; D250-E253 HydrophobicContact CB-CG 3.95Å; D250-E253 WeakPolarHBondContact O-CB 3.31Å; D250-E253 PolarHBondContact O-N 3.45Å; D250-E253 VanDerWaalsContact O-N 3.09Å
251C89.1Confident88.8Confident101 Ų10168.8 Ų68.868%0.68237%0.373SS*.THydrogen-bonded Turntrans-66.8-16.3-177.658.50000113.7P205 E253P205-C251 HydrophobicContact CG-CB 4.24Å; C251-E253 VanDerWaalsContact C-N 3.32Å
252D90.6Very high88.3Confident140 Ų14072 Ų7275%0.74939%0.388SS*.THydrogen-bonded Turntrans-86.8-5.1177.4-61.4-21.7000112D250D250-D252 PolarHBondContact O-N 3.4Å; D250-D252 PolarHBondContact OD1-N 2.88Å
253E86Confident87.8Confident110 Ų11072.6 Ų72.651%0.51439%0.391SS..SBendtrans-81.7120.6171.2-75177.2177.400110.7D250 C251 V255D250-E253 HydrophobicContact CB-CB 4.48Å; D250-E253 HydrophobicContact CB-CG 3.95Å; D250-E253 WeakPolarHBondContact O-CB 3.31Å; D250-E253 PolarHBondContact O-N 3.45Å; D250-E253 VanDerWaalsContact O-N 3.09Å; C251-E253 VanDerWaalsContact C-N 3.32Å; E253-V255 HydrophobicContact CB-CG1 4.43Å; E253-V255 PolarHBondContact O-N 3.02Å
254D78.5Confident87.4Confident174 Ų17474.5 Ų74.593%0.9340%0.401SS*.  trans-66.5102.5171-70.2-42.5000110
255V79.1Confident87.1Confident78 Ų7877.5 Ų77.547%0.47342%0.42SS..  trans-120.7149.7174.6-68.40000110.5C248 E253C248-V255 HydrophobicContact CB-CB 4.22Å; C248-V255 HydrophobicContact CB-CG1 3.92Å; C248-V255 HydrophobicContact CB-CG2 3.51Å; E253-V255 HydrophobicContact CB-CG1 4.43Å; E253-V255 PolarHBondContact O-N 3.02Å
256E78.1Confident86.9Confident166 Ų16677.7 Ų77.778%0.77642%0.421SS*.PPolyproline II helixtrans-67.7140171.8-67.2-177.4171.300110.3V258E256-V258 PolarHBondContact O-N 3.19Å
257D81.2Confident86.7Confident153 Ų15373.8 Ų73.882%0.81840%0.397SS*.PPolyproline II helixtrans-61.5130.1174.7-77.5-31000110.2S259D257-S259 PolarHBondContact O-N 3.01Å
258V83.1Confident86.3Confident44 Ų4477.2 Ų77.227%0.26742%0.418SS..PPolyproline II helixtrans-69.9122.9178.1-177.80000109.5Y202 N245 E256 V263Y202-V258 HydrophobicContact CD1-CG1 4.38Å; Y202-V258 HydrophobicContact CD2-CB 4.35Å; Y202-V258 HydrophobicContact CD2-CG1 4.41Å; Y202-V258 HydrophobicContact CE1-CG1 4.02Å; Y202-V258 HydrophobicContact CE2-CB 4.34Å; Y202-V258 HydrophobicContact CE2-CG1 4.05Å; N245-V258 HydrophobicContact CB-CG1 4.44Å; N245-V258 HydrophobicContact CB-CG2 4.4Å; N245-V258 VanDerWaalsContact ND2-CG2 3.34Å; N245-V258 WeakPolarHBondContact ND2-CG2 3.34Å; E256-V258 PolarHBondContact O-N 3.19Å; V258-V263 HydrophobicContact CG1-CG2 4.31Å
259S85.8Confident86.1Confident49 Ų4984.4 Ų84.434%0.34345%0.447SS..  trans-115.3146.9174.274.90000112.4D257 E261 E262 V263D257-S259 PolarHBondContact O-N 3.01Å; S259-E261 VanDerWaalsContact C-N 3.27Å; S259-E261 PolarHBondContact O-N 2.78Å; S259-E262 PolarHBondContact O-N 2.95Å; S259-E262 VanDerWaalsContact OG-CB 3.26Å; S259-E262 WeakPolarHBondContact OG-CB 3.18Å; S259-E262 PolarHBondContact OG-N 2.9Å; S259-V263 WeakPolarHBondContact O-CG2 3.45Å; S259-V263 PolarHBondContact O-N 2.81Å; S259-V263 VanDerWaalsContact O-N 3.13Å
260H83.9Confident85.9Confident57 Ų5784.2 Ų84.226%0.26445%0.446SS..Hα-helixtrans-63.7-33.2176.7-173.965.2000112.5E66 V263 L264E66-H260 PolarHBondContact O-NE2 3.14Å; H260-V263 WeakPolarHBondContact O-CB 3.49Å; H260-V263 PolarHBondContact O-N 3.29Å; H260-L264 WeakPolarHBondContact O-CG 3.44Å; H260-L264 PolarHBondContact O-N 2.76Å
261E86.4Confident85.8Confident155 Ų15580.9 Ų80.972%0.72443%0.429SS*.Hα-helixtrans-64.4-43176.7-174.2179.2176.500112S259 L264 T265S259-E261 VanDerWaalsContact C-N 3.27Å; S259-E261 PolarHBondContact O-N 2.78Å; E261-L264 PolarHBondContact O-N 2.93Å; E261-T265 PolarHBondContact O-N 2.84Å; E261-T265 PolarHBondContact O-OG1 3.39Å
262E87Confident86Confident68 Ų6878.2 Ų78.232%0.31842%0.418SS..Hα-helixtrans-64-43.9175.5-171.9-172.1176.900111.1S259 L264 T265 V266S259-E262 PolarHBondContact O-N 2.95Å; S259-E262 VanDerWaalsContact OG-CB 3.26Å; S259-E262 WeakPolarHBondContact OG-CB 3.18Å; S259-E262 PolarHBondContact OG-N 2.9Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 3.43Å; E262-T265 WeakPolarHBondContact O-CB 3.43Å; E262-T265 PolarHBondContact O-N 2.79Å; E262-T265 VanDerWaalsContact O-N 3.1Å; E262-V266 PolarHBondContact O-N 3.22Å
263V87.6Confident86.2Confident12 Ų1277.6 Ų77.67%0.07341%0.409CS..Hα-helixtrans-53.8-50.2174168.70000110.2A120 A244 V258 S259 H260 T265 V266 M267A120-V263 HydrophobicContact CB-CG1 3.71Å; A244-V263 HydrophobicContact CB-CB 4.18Å; A244-V263 HydrophobicContact CB-CG1 3.8Å; A244-V263 HydrophobicContact CB-CG2 3.94Å; V258-V263 HydrophobicContact CG1-CG2 4.31Å; S259-V263 WeakPolarHBondContact O-CG2 3.45Å; S259-V263 PolarHBondContact O-N 2.81Å; S259-V263 VanDerWaalsContact O-N 3.13Å; H260-V263 WeakPolarHBondContact O-CB 3.49Å; H260-V263 PolarHBondContact O-N 3.29Å; V263-T265 VanDerWaalsContact C-N 3.31Å; V263-T265 PolarHBondContact O-N 3.4Å; V263-V266 PolarHBondContact O-N 2.87Å; V263-M267 HydrophobicContact CG1-CG 4.29Å; V263-M267 WeakPolarHBondContact O-CB 3.25Å; V263-M267 WeakPolarHBondContact O-CG 3.41Å; V263-M267 PolarHBondContact O-N 3.24Å
264L87.6Confident86.7Confident41 Ų4172.4 Ų72.422%0.21539%0.385CS..Hα-helixtrans-60.8-38.7178.3-71.5172.7000112.9H260 E261 E262 M267 T268H260-L264 WeakPolarHBondContact O-CG 3.44Å; H260-L264 PolarHBondContact O-N 2.76Å; E261-L264 PolarHBondContact O-N 2.93Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L264 PolarHBondContact O-N 3.43Å; L264-M267 PolarHBondContact O-N 2.84Å; L264-T268 WeakPolarHBondContact O-CB 3.33Å; L264-T268 PolarHBondContact O-N 3.15Å; L264-T268 PolarHBondContact O-OG1 2.63Å
265T88.6Confident87.5Confident64 Ų6465.4 Ų65.439%0.39335%0.347SS..Hα-helixtrans-64-46.6178.1-63.70000111.7E261 E262 V263 T268 K269E261-T265 PolarHBondContact O-N 2.84Å; E261-T265 PolarHBondContact O-OG1 3.39Å; E262-T265 WeakPolarHBondContact O-CB 3.43Å; E262-T265 PolarHBondContact O-N 2.79Å; E262-T265 VanDerWaalsContact O-N 3.1Å; V263-T265 VanDerWaalsContact C-N 3.31Å; V263-T265 PolarHBondContact O-N 3.4Å; T265-T268 PolarHBondContact O-N 2.79Å; T265-K269 WeakPolarHBondContact O-CG 3.45Å; T265-K269 PolarHBondContact O-N 2.77Å
266V89.2Confident88.2Confident19 Ų1966.4 Ų66.412%0.11535%0.346CS..Hα-helixtrans-63.8-45176.7172.20000110.7V130 E262 V263 T268 K269 A270V130-V266 HydrophobicContact CG1-CB 4.23Å; V130-V266 HydrophobicContact CG1-CG1 3.53Å; V130-V266 HydrophobicContact CG1-CG2 3.61Å; E262-V266 PolarHBondContact O-N 3.22Å; V263-V266 PolarHBondContact O-N 2.87Å; V266-T268 VanDerWaalsContact C-N 3.31Å; V266-T268 PolarHBondContact O-N 3.29Å; V266-K269 PolarHBondContact O-N 2.95Å; V266-K269 VanDerWaalsContact O-N 3.13Å; V266-A270 WeakPolarHBondContact O-CB 3.39Å; V266-A270 PolarHBondContact O-N 2.77Å
267M89.2Confident89.2Confident0 Ų058.5 Ų58.50%031%0.31CS..Hα-helixtrans-58.7-43.5179.6-70-58.4-7300111.7S37 L39 A120 I242 V263 L264 K269 A270 S271S37-M267 WeakPolarHBondContact O-CE 3.19Å; L39-M267 HydrophobicContact CD1-CE 4.24Å; L39-M267 HydrophobicContact CG-CE 4.47Å; A120-M267 HydrophobicContact CB-CE 3.91Å; A120-M267 HydrophobicContact CB-CG 3.84Å; A120-M267 HydrophobicContact CB-SD 3.53Å; A120-M267 VanDerWaalsContact CB-SD 3.53Å; I242-M267 HydrophobicContact CB-CE 3.76Å; I242-M267 HydrophobicContact CB-SD 3.44Å; I242-M267 WeakPolarHBondContact CB-SD 3.32Å; I242-M267 HydrophobicContact CD1-CE 3.73Å; I242-M267 HydrophobicContact CD1-SD 4.17Å; I242-M267 HydrophobicContact CG1-CE 4.12Å; I242-M267 HydrophobicContact CG1-SD 4.34Å; I242-M267 HydrophobicContact CG2-CE 4.36Å; I242-M267 HydrophobicContact CG2-SD 3.48Å; I242-M267 WeakPolarHBondContact CG2-SD 3.47Å; V263-M267 HydrophobicContact CG1-CG 4.29Å; V263-M267 WeakPolarHBondContact O-CB 3.25Å; V263-M267 WeakPolarHBondContact O-CG 3.41Å; V263-M267 PolarHBondContact O-N 3.24Å; L264-M267 PolarHBondContact O-N 2.84Å; M267-K269 VanDerWaalsContact C-N 3.28Å; M267-K269 PolarHBondContact O-N 2.81Å; M267-A270 PolarHBondContact O-N 3.34Å; M267-S271 WeakPolarHBondContact O-CB 3.49Å; M267-S271 PolarHBondContact O-N 2.77Å; M267-S271 PolarHBondContact O-OG 2.83Å
268T86.5Confident90Very high83 Ų8351.3 Ų51.351%0.50927%0.271SS..Hα-helixtrans-63-34.9178.8-560000112.2L264 T265 V266 S271L264-T268 WeakPolarHBondContact O-CB 3.33Å; L264-T268 PolarHBondContact O-N 3.15Å; L264-T268 PolarHBondContact O-OG1 2.63Å; T265-T268 PolarHBondContact O-N 2.79Å; V266-T268 VanDerWaalsContact C-N 3.31Å; V266-T268 PolarHBondContact O-N 3.29Å; T268-S271 PolarHBondContact O-OG 3.13Å; T268-S271 VanDerWaalsContact O-OG 3.05Å
269K86.7Confident90.6Very high172 Ų17251.3 Ų51.375%0.74827%0.27SS*.Hα-helixtrans-76.1-36.9177.7-69.3173.5-177.6172.20112.7T265 V266 M267T265-K269 WeakPolarHBondContact O-CG 3.45Å; T265-K269 PolarHBondContact O-N 2.77Å; V266-K269 PolarHBondContact O-N 2.95Å; V266-K269 VanDerWaalsContact O-N 3.13Å; M267-K269 VanDerWaalsContact C-N 3.28Å; M267-K269 PolarHBondContact O-N 2.81Å
270A88.5Confident91.2Very high9 Ų952 Ų527%0.07427%0.269CS..Hα-helixtrans-87.3-22.1-175.600000113.7I242 V266 M267 G272 K273I242-A270 HydrophobicContact CD1-CB 4.23Å; I242-A270 HydrophobicContact CG2-CB 3.63Å; V266-A270 WeakPolarHBondContact O-CB 3.39Å; V266-A270 PolarHBondContact O-N 2.77Å; M267-A270 PolarHBondContact O-N 3.34Å; A270-G272 VanDerWaalsContact C-N 3.27Å; A270-G272 PolarHBondContact O-N 3.11Å; A270-K273 PolarHBondContact O-N 3.01Å
271S89.4Confident91.9Very high4 Ų449.3 Ų49.33%0.02826%0.256CS..Hα-helixtrans-55.4-37.6-175.960.50000113.3M267 T268 K273 L274 M275M267-S271 WeakPolarHBondContact O-CB 3.49Å; M267-S271 PolarHBondContact O-N 2.77Å; M267-S271 PolarHBondContact O-OG 2.83Å; T268-S271 PolarHBondContact O-OG 3.13Å; T268-S271 VanDerWaalsContact O-OG 3.05Å; S271-K273 VanDerWaalsContact C-N 3.34Å; S271-K273 PolarHBondContact O-N 2.91Å; S271-L274 PolarHBondContact O-N 2.87Å; S271-L274 VanDerWaalsContact O-N 3.1Å; S271-M275 WeakPolarHBondContact O-CG 3.35Å; S271-M275 PolarHBondContact O-N 3.02Å
272G93.1Very high92.4Very high44 Ų4441.9 Ų41.945%0.45422%0.222SC..Hα-helixtrans-57-42.3-177.800000113.6A270 M275 Q276A270-G272 VanDerWaalsContact C-N 3.27Å; A270-G272 PolarHBondContact O-N 3.11Å; G272-M275 PolarHBondContact O-N 2.95Å; G272-Q276 PolarHBondContact O-N 3.29Å
273K94.6Very high92.9Very high127 Ų12743.3 Ų43.355%0.55223%0.227SC*.Hα-helixtrans-66.3-41.7177-70.9178.7-175.9173.70111.4I133 I187 A270 S271 Q276 L277I133-K273 HydrophobicContact CD1-CB 3.7Å; I187-K273 HydrophobicContact CG2-CB 4.4Å; A270-K273 PolarHBondContact O-N 3.01Å; S271-K273 VanDerWaalsContact C-N 3.34Å; S271-K273 PolarHBondContact O-N 2.91Å; K273-Q276 PolarHBondContact O-N 2.77Å; K273-L277 WeakPolarHBondContact O-CG 3.34Å; K273-L277 PolarHBondContact O-N 2.91Å; K273-L277 VanDerWaalsContact O-N 3.11Å
274L95.9Very high93.3Very high1 Ų145 Ų451%0.00523%0.234CC..Hα-helixtrans-66.6-41.9176.9179.158.1000111.1L39 T118 I133 F240 I242 S271 Q276 L277 L278L39-L274 HydrophobicContact CD1-CD2 3.65Å; L39-L274 HydrophobicContact CD2-CD2 4Å; T118-L274 HydrophobicContact CG2-CD2 4.22Å; I133-L274 HydrophobicContact CD1-CB 3.89Å; I133-L274 HydrophobicContact CG1-CB 4.48Å; I133-L274 HydrophobicContact CG2-CD1 4.02Å; F240-L274 HydrophobicContact CB-CD1 4.18Å; F240-L274 HydrophobicContact CB-CD2 4.2Å; F240-L274 HydrophobicContact CD1-CD1 3.79Å; F240-L274 HydrophobicContact CD2-CD1 4.25Å; F240-L274 HydrophobicContact CE1-CD1 4.24Å; F240-L274 HydrophobicContact CG-CD1 3.8Å; I242-L274 HydrophobicContact CD1-CB 4.36Å; I242-L274 HydrophobicContact CD1-CD2 3.93Å; I242-L274 HydrophobicContact CG1-CD2 4.15Å; S271-L274 PolarHBondContact O-N 2.87Å; S271-L274 VanDerWaalsContact O-N 3.1Å; L274-Q276 VanDerWaalsContact C-N 3.31Å; L274-Q276 PolarHBondContact O-N 2.96Å; L274-L277 PolarHBondContact O-N 2.93Å; L274-L278 HydrophobicContact CD1-CD1 4.28Å; L274-L278 HydrophobicContact CD1-CD2 4.38Å; L274-L278 HydrophobicContact CD1-CG 3.98Å; L274-L278 HydrophobicContact CG-CD1 4.04Å; L274-L278 HydrophobicContact CG-CG 4.19Å; L274-L278 WeakPolarHBondContact O-CB 3.21Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.38Å; L274-L278 PolarHBondContact O-N 2.79Å
275M95.2Very high93.8Very high28 Ų2843.2 Ų43.214%0.13822%0.224CC..Hα-helixtrans-60.3-40.6176-72.6178.765.600111.7L39 Q41 I42 L45 S271 G272 L278 N279L39-M275 HydrophobicContact CD2-CG 4.49Å; Q41-M275 HydrophobicContact CB-CE 4.49Å; Q41-M275 HydrophobicContact CB-SD 4.45Å; I42-M275 HydrophobicContact CG1-CG 4.13Å; L45-M275 HydrophobicContact CD1-CE 3.69Å; L45-M275 HydrophobicContact CD2-CE 4.4Å; L45-M275 HydrophobicContact CG-CE 3.94Å; S271-M275 WeakPolarHBondContact O-CG 3.35Å; S271-M275 PolarHBondContact O-N 3.02Å; G272-M275 PolarHBondContact O-N 2.95Å; M275-L278 PolarHBondContact O-N 3.32Å; M275-N279 VanDerWaalsContact O-CB 3.28Å; M275-N279 WeakPolarHBondContact O-CB 3.42Å; M275-N279 PolarHBondContact O-N 2.83Å
276Q95.8Very high94.2Very high99 Ų9942.5 Ų42.546%0.46322%0.217SC..Hα-helixtrans-59.8-47.7173.3-177.9-178.6-8.400111.8I187 G272 K273 L274 N279 L280I187-Q276 HydrophobicContact CD1-CB 4.42Å; I187-Q276 HydrophobicContact CD1-CG 4.27Å; G272-Q276 PolarHBondContact O-N 3.29Å; K273-Q276 PolarHBondContact O-N 2.77Å; L274-Q276 VanDerWaalsContact C-N 3.31Å; L274-Q276 PolarHBondContact O-N 2.96Å; Q276-N279 PolarHBondContact O-N 2.67Å; Q276-L280 WeakPolarHBondContact O-CG 3.41Å; Q276-L280 PolarHBondContact O-N 2.86Å
277L97.5Very high94.4Very high0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-61.7-45.7177.2-70.4179.1000112.2I133 M178 I181 A182 I187 L189 K273 L274 L280 F281I133-L277 HydrophobicContact CD1-CD1 4.25Å; M178-L277 HydrophobicContact CE-CB 4.13Å; M178-L277 HydrophobicContact SD-CB 3.87Å; M178-L277 HydrophobicContact SD-CD1 4.35Å; M178-L277 HydrophobicContact SD-CD2 4.38Å; M178-L277 HydrophobicContact SD-CG 4.44Å; I181-L277 HydrophobicContact CG2-CD2 4.02Å; A182-L277 HydrophobicContact CB-CD1 4.47Å; A182-L277 HydrophobicContact CB-CD2 3.93Å; I187-L277 HydrophobicContact CB-CD2 4.17Å; I187-L277 HydrophobicContact CD1-CD2 3.83Å; I187-L277 HydrophobicContact CD1-CG 3.92Å; I187-L277 HydrophobicContact CG2-CD1 3.91Å; I187-L277 HydrophobicContact CG2-CD2 4.44Å; I187-L277 HydrophobicContact CG2-CG 4.3Å; L189-L277 HydrophobicContact CD1-CD1 4.36Å; K273-L277 WeakPolarHBondContact O-CG 3.34Å; K273-L277 PolarHBondContact O-N 2.91Å; K273-L277 VanDerWaalsContact O-N 3.11Å; L274-L277 PolarHBondContact O-N 2.93Å; L277-L280 PolarHBondContact O-N 2.99Å; L277-F281 WeakPolarHBondContact O-CB 3.11Å; L277-F281 PolarHBondContact O-N 3.13Å
278L97.6Very high94.5Very high1 Ų150.5 Ų50.51%0.00526%0.261CS..Hα-helixtrans-64.3-40.5179-68.8179000111.5I42 W77 I116 T118 M178 F240 L274 M275 L280 F281 V282I42-L278 HydrophobicContact CD1-CD1 3.92Å; W77-L278 HydrophobicContact CH2-CB 3.62Å; W77-L278 HydrophobicContact CZ2-CB 4.29Å; I116-L278 HydrophobicContact CD1-CD2 4.3Å; I116-L278 HydrophobicContact CG2-CD2 3.9Å; T118-L278 HydrophobicContact CG2-CD1 4.46Å; M178-L278 HydrophobicContact CE-CD2 4.22Å; F240-L278 HydrophobicContact CD2-CD2 4.15Å; F240-L278 HydrophobicContact CE2-CD2 3.61Å; F240-L278 HydrophobicContact CZ-CD2 4.19Å; L274-L278 HydrophobicContact CD1-CD1 4.28Å; L274-L278 HydrophobicContact CD1-CD2 4.38Å; L274-L278 HydrophobicContact CD1-CG 3.98Å; L274-L278 HydrophobicContact CG-CD1 4.04Å; L274-L278 HydrophobicContact CG-CG 4.19Å; L274-L278 WeakPolarHBondContact O-CB 3.21Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.38Å; L274-L278 PolarHBondContact O-N 2.79Å; M275-L278 PolarHBondContact O-N 3.32Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 2.9Å; L278-F281 PolarHBondContact O-N 3.4Å; L278-F281 VanDerWaalsContact O-N 3.16Å; L278-V282 WeakPolarHBondContact O-CG2 3.49Å; L278-V282 PolarHBondContact O-N 3.36Å
279N97Very high94.3Very high45 Ų4550.5 Ų50.524%0.24125%0.252CS..Hα-helixtrans-58.8-44.5176.2-177.276000111.8W77 Q78 M275 Q276 K283W77-N279 HydrophobicContact CZ2-CB 3.99Å; W77-N279 PolarHBondContact NE1-OD1 2.85Å; Q78-N279 PolarHBondContact NE2-ND2 3.34Å; Q78-N279 PolarHBondContact NE2-OD1 3Å; M275-N279 VanDerWaalsContact O-CB 3.28Å; M275-N279 WeakPolarHBondContact O-CB 3.42Å; M275-N279 PolarHBondContact O-N 2.83Å; Q276-N279 PolarHBondContact O-N 2.67Å; N279-K283 PolarHBondContact O-N 2.89Å
280L97.8Very high93.2Very high63 Ų6350.6 Ų50.633%0.3325%0.252SS..Hα-helixtrans-67.4-38.6175.3-67.3172.2000112.1I181 S185 Q276 L277 L278 K283 E284I181-L280 HydrophobicContact CG2-CB 3.55Å; I181-L280 HydrophobicContact CG2-CD1 3.85Å; I181-L280 HydrophobicContact CG2-CG 4.36Å; S185-L280 VanDerWaalsContact OG-CD1 3.23Å; S185-L280 WeakPolarHBondContact OG-CD1 3.36Å; Q276-L280 WeakPolarHBondContact O-CG 3.41Å; Q276-L280 PolarHBondContact O-N 2.86Å; L277-L280 PolarHBondContact O-N 2.99Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 2.9Å; L280-K283 PolarHBondContact O-N 2.9Å; L280-E284 PolarHBondContact O-N 3.11Å; L280-E284 VanDerWaalsContact O-N 3.08Å
281F98.1Very high91.5Very high0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-64.6-46.7177.2173.4-89.7000112.4I116 Y174 M177 M178 I181 L238 L277 L278 K283 E284 W285I116-F281 HydrophobicContact CD1-CD1 4.01Å; I116-F281 HydrophobicContact CD1-CE1 3.94Å; I116-F281 HydrophobicContact CG1-CE1 4.44Å; Y174-F281 HydrophobicContact CD1-CE2 4.46Å; Y174-F281 HydrophobicContact CD1-CZ 4.25Å; Y174-F281 HydrophobicContact CD2-CZ 4.31Å; Y174-F281 HydrophobicContact CG-CE2 4.3Å; Y174-F281 AromaticContact CG-CZ 3.97Å; Y174-F281 HydrophobicContact CG-CZ 3.97Å; M177-F281 HydrophobicContact CB-CE2 4.39Å; M177-F281 HydrophobicContact CG-CD2 4.02Å; M177-F281 HydrophobicContact CG-CE2 4.16Å; M177-F281 HydrophobicContact SD-CD2 3.71Å; M177-F281 HydrophobicContact SD-CE2 3.57Å; M177-F281 VanDerWaalsContact SD-CE2 3.57Å; M177-F281 HydrophobicContact SD-CZ 4.43Å; M178-F281 HydrophobicContact CE-CB 3.44Å; M178-F281 VanDerWaalsContact CE-CB 3.44Å; M178-F281 HydrophobicContact CE-CD2 4.05Å; M178-F281 HydrophobicContact CE-CG 3.85Å; I181-F281 VanDerWaalsContact CD1-CA 3.5Å; I181-F281 HydrophobicContact CD1-CB 3.94Å; I181-F281 HydrophobicContact CD1-CD2 4.35Å; L238-F281 HydrophobicContact CD2-CD1 4.09Å; L238-F281 HydrophobicContact CD2-CD2 3.98Å; L238-F281 HydrophobicContact CD2-CE1 3.76Å; L238-F281 HydrophobicContact CD2-CE2 3.62Å; L238-F281 HydrophobicContact CD2-CG 4.21Å; L238-F281 HydrophobicContact CD2-CZ 3.51Å; L277-F281 WeakPolarHBondContact O-CB 3.11Å; L277-F281 PolarHBondContact O-N 3.13Å; L278-F281 PolarHBondContact O-N 3.4Å; L278-F281 VanDerWaalsContact O-N 3.16Å; F281-K283 PolarHBondContact O-N 3.28Å; F281-E284 PolarHBondContact O-N 2.87Å; F281-W285 HydrophobicContact CD1-CB 4.41Å; F281-W285 HydrophobicContact CE1-CB 4.05Å; F281-W285 HydrophobicContact CE1-CG 4.22Å; F281-W285 HydrophobicContact CZ-CB 4.21Å; F281-W285 HydrophobicContact CZ-CG 4.38Å; F281-W285 WeakPolarHBondContact O-CB 3.33Å; F281-W285 PolarHBondContact O-N 2.88Å
282V97.7Very high91.7Very high0 Ų059.4 Ų59.40%030%0.296CS..Hα-helixtrans-63-36.6179.9178.60000110.6L31 W77 Q78 A80 I116 L278 W285 H286L31-V282 HydrophobicContact CD2-CG1 4.05Å; L31-V282 HydrophobicContact CD2-CG2 3.69Å; W77-V282 HydrophobicContact CD2-CB 4.31Å; W77-V282 HydrophobicContact CD2-CG1 4.27Å; W77-V282 HydrophobicContact CD2-CG2 4.15Å; W77-V282 HydrophobicContact CE3-CB 4.27Å; W77-V282 HydrophobicContact CE3-CG1 4.27Å; W77-V282 HydrophobicContact CE3-CG2 3.64Å; W77-V282 HydrophobicContact CG-CG1 4.41Å; W77-V282 HydrophobicContact CH2-CG2 4.11Å; W77-V282 HydrophobicContact CZ3-CG2 3.61Å; W77-V282 WeakPolarHBondContact O-CG1 3.23Å; Q78-V282 HydrophobicContact CB-CG1 4.1Å; A80-V282 HydrophobicContact CB-CG1 4.26Å; I116-V282 HydrophobicContact CD1-CG2 4.34Å; L278-V282 WeakPolarHBondContact O-CG2 3.49Å; L278-V282 PolarHBondContact O-N 3.36Å; V282-W285 HydrophobicContact CG1-CE3 4.48Å; V282-H286 WeakPolarHBondContact O-CB 3.5Å; V282-H286 PolarHBondContact O-N 3.04Å
283K97.2Very high91.6Very high97 Ų9760.2 Ų60.242%0.42229%0.288SS..Hα-helixtrans-59.8-57.4172.2-174.8179176.7179.90112.3Q78 N279 L280 F281 W285 H286 E287Q78-K283 HydrophobicContact CB-CB 4.11Å; Q78-K283 HydrophobicContact CG-CB 4.01Å; N279-K283 PolarHBondContact O-N 2.89Å; L280-K283 PolarHBondContact O-N 2.9Å; F281-K283 PolarHBondContact O-N 3.28Å; K283-W285 VanDerWaalsContact C-N 3.31Å; K283-W285 PolarHBondContact O-N 2.88Å; K283-H286 PolarHBondContact O-N 3.27Å; K283-E287 WeakPolarHBondContact CE-OE1 3.15Å; K283-E287 WeakPolarHBondContact O-CG 3.31Å; K283-E287 PolarHBondContact O-N 2.97Å
284E97.2Very high91.4Very high48 Ų4856.5 Ų56.522%0.22427%0.273CS..Hα-helixtrans-63.4-37.1-179-171.9175.8149.400111.7M177 R180 I181 L280 F281 S288M177-E284 HydrophobicContact CE-CG 3.87Å; M177-E284 HydrophobicContact CG-CG 4.24Å; M177-E284 WeakPolarHBondContact CG-OE1 3.41Å; M177-E284 HydrophobicContact SD-CB 4.07Å; M177-E284 HydrophobicContact SD-CG 3.94Å; R180-E284 IonicContact CZ-OE1 2.85Å; R180-E284 IonicContact NH2-OE1 3.8Å; R180-E284 PolarHBondContact NH2-OE1 3.25Å; I181-E284 HydrophobicContact CD1-CB 4.42Å; L280-E284 PolarHBondContact O-N 3.11Å; L280-E284 VanDerWaalsContact O-N 3.08Å; F281-E284 PolarHBondContact O-N 2.87Å; E284-S288 VanDerWaalsContact O-CB 3.29Å; E284-S288 WeakPolarHBondContact O-CB 3.43Å; E284-S288 PolarHBondContact O-N 3.04Å; E284-S288 PolarHBondContact O-OG 3.45Å
285W97.3Very high91.2Very high3 Ų359.8 Ų59.81%0.01129%0.289CS..Hα-helixtrans-63.4-50.3175.4172.588.5000111.1A30 L31 A80 T114 Y174 M177 F281 V282 K283 E287 S288 Y289A30-W285 HydrophobicContact CB-CH2 3.94Å; L31-W285 HydrophobicContact CB-CH2 3.7Å; L31-W285 HydrophobicContact CB-CZ2 4.31Å; L31-W285 HydrophobicContact CB-CZ3 3.98Å; L31-W285 HydrophobicContact CD2-CE3 4.42Å; L31-W285 HydrophobicContact CD2-CZ3 4.24Å; A80-W285 HydrophobicContact CB-CE3 4.39Å; A80-W285 HydrophobicContact CB-CZ3 3.64Å; T114-W285 PolarHBondContact OG1-NE1 3.26Å; Y174-W285 AromaticContact CE1-CD1 3.83Å; Y174-W285 AromaticContact CZ-CD1 3.71Å; Y174-W285 AromaticContact CZ-NE1 3.64Å; Y174-W285 PolarHBondContact OH-NE1 3.37Å; Y174-W285 VanDerWaalsContact OH-NE1 3.16Å; M177-W285 HydrophobicContact SD-CB 4.47Å; F281-W285 HydrophobicContact CD1-CB 4.41Å; F281-W285 HydrophobicContact CE1-CB 4.05Å; F281-W285 HydrophobicContact CE1-CG 4.22Å; F281-W285 HydrophobicContact CZ-CB 4.21Å; F281-W285 HydrophobicContact CZ-CG 4.38Å; F281-W285 WeakPolarHBondContact O-CB 3.33Å; F281-W285 PolarHBondContact O-N 2.88Å; V282-W285 HydrophobicContact CG1-CE3 4.48Å; K283-W285 VanDerWaalsContact C-N 3.31Å; K283-W285 PolarHBondContact O-N 2.88Å; W285-E287 VanDerWaalsContact C-N 3.35Å; W285-E287 PolarHBondContact O-N 3.09Å; W285-S288 PolarHBondContact O-N 3.17Å; W285-S288 VanDerWaalsContact O-N 3.17Å; W285-Y289 AromaticContact CD1-CD2 3.47Å; W285-Y289 VanDerWaalsContact CD1-CD2 3.47Å; W285-Y289 AromaticContact CD1-CE2 3.72Å; W285-Y289 AromaticContact CG-CD2 4Å; W285-Y289 HydrophobicContact CG-CD2 4Å; W285-Y289 HydrophobicContact CG-CE2 4.5Å; W285-Y289 AromaticContact NE1-CD2 3.7Å; W285-Y289 WeakPolarHBondContact O-CD2 3.46Å; W285-Y289 PolarHBondContact O-N 2.93Å
286H96Very high90.9Very high50 Ų5061.8 Ų61.823%0.23130%0.298CS..Hα-helixtrans-63.4-42.1-179-175.858.7000111.6Q78 G79 A80 V282 K283 S288 Y289 K290Q78-H286 PolarHBondContact O-CD2 3.01Å; G79-H286 PolarHBondContact O-NE2 3.06Å; A80-H286 HydrophobicContact CB-CB 4.22Å; V282-H286 WeakPolarHBondContact O-CB 3.5Å; V282-H286 PolarHBondContact O-N 3.04Å; K283-H286 PolarHBondContact O-N 3.27Å; H286-S288 VanDerWaalsContact C-N 3.3Å; H286-S288 PolarHBondContact O-N 3.46Å; H286-Y289 PolarHBondContact O-N 3.48Å; H286-K290 PolarHBondContact O-N 2.94Å
287E94.4Very high90.6Very high116 Ų11659.3 Ų59.354%0.54229%0.287SS..Hα-helixtrans-61.2-36.7174.9-72.5172.4-176.500112.7K283 W285K283-E287 WeakPolarHBondContact CE-OE1 3.15Å; K283-E287 WeakPolarHBondContact O-CG 3.31Å; K283-E287 PolarHBondContact O-N 2.97Å; W285-E287 VanDerWaalsContact C-N 3.35Å; W285-E287 PolarHBondContact O-N 3.09Å
288S91.4Very high90.1Very high71 Ų7163.5 Ų63.550%0.49731%0.308SS..Hα-helixtrans-78.6-28.1-178.5-61.20000113.8E284 W285 H286E284-S288 VanDerWaalsContact O-CB 3.29Å; E284-S288 WeakPolarHBondContact O-CB 3.43Å; E284-S288 PolarHBondContact O-N 3.04Å; E284-S288 PolarHBondContact O-OG 3.45Å; W285-S288 PolarHBondContact O-N 3.17Å; W285-S288 VanDerWaalsContact O-N 3.17Å; H286-S288 VanDerWaalsContact C-N 3.3Å; H286-S288 PolarHBondContact O-N 3.46Å
289Y82.1Confident89.5Confident83 Ų8368.3 Ų68.333%0.32533%0.331SS..Hα-helixtrans-113.1-7.9-171.5-67.5-71.2000114.7Y174 W285 H286 L291Y174-Y289 HydrophobicContact CE1-CD2 4.49Å; Y174-Y289 AromaticContact CE1-CE2 3.52Å; Y174-Y289 HydrophobicContact CE1-CE2 3.52Å; Y174-Y289 AromaticContact CE1-CZ 3.76Å; Y174-Y289 WeakPolarHBondContact CE1-OH 3.29Å; W285-Y289 AromaticContact CD1-CD2 3.47Å; W285-Y289 VanDerWaalsContact CD1-CD2 3.47Å; W285-Y289 AromaticContact CD1-CE2 3.72Å; W285-Y289 AromaticContact CG-CD2 4Å; W285-Y289 HydrophobicContact CG-CD2 4Å; W285-Y289 HydrophobicContact CG-CE2 4.5Å; W285-Y289 AromaticContact NE1-CD2 3.7Å; W285-Y289 WeakPolarHBondContact O-CD2 3.46Å; W285-Y289 PolarHBondContact O-N 2.93Å; H286-Y289 PolarHBondContact O-N 3.48Å; Y289-L291 VanDerWaalsContact C-N 3.28Å; Y289-L291 PolarHBondContact O-N 3.31Å
290K63.5Low88.9Confident174 Ų17470.3 Ų70.376%0.75734%0.338SS*.  trans12.472.6176.5-74.7-168.7179.5-176.40112.6H286H286-K290 PolarHBondContact O-N 2.94Å
291L53.9Low88.1Confident138 Ų13870.9 Ų70.972%0.72334%0.339SS*.  trans-78.60172.8-70.8168.4000109.5A30 Y289A30-L291 HydrophobicContact CB-CD1 3.48Å; A30-L291 VanDerWaalsContact CB-CD1 3.48Å; Y289-L291 VanDerWaalsContact C-N 3.28Å; Y289-L291 PolarHBondContact O-N 3.31Å

Retrieved 291 of 291 residues in 265.8 ms (Link to these results)

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