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Proteasome subunit alpha type-3

The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession G4VHX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 254 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
1M44Very low71.7Confident227 Ų22790.5 Ų90.5100%1.11855%0.549SS*.  0122.10-77.9-169.4-89.800107.9S3M1-S3 PolarHBondContact O-N 3.3Å
2S45.2Very low73.6Confident97 Ų9783.5 Ų83.568%0.67851%0.508SS*.  trans-62.9121.7179.351.30000110.5I4S2-I4 PolarHBondContact O-N 3.47Å
3S54.6Low75.1Confident92 Ų9281.5 Ų81.564%0.64350%0.5SS*.  trans-69.624175.366.40000113.7M1 G5M1-S3 PolarHBondContact O-N 3.3Å; S3-G5 PolarHBondContact O-N 3.22Å
4I56.3Low76.5Confident147 Ų14780.3 Ų80.375%0.75449%0.485SS*.  trans-79.498.4-175.1-61.2171000108.5S2 S6S2-I4 PolarHBondContact O-N 3.47Å; I4-S6 PolarHBondContact O-N 3.12Å
5G60.8Low77.7Confident74 Ų7484.2 Ų84.276%0.76349%0.494SS*.SBendtrans74.520.8142.200000118.1S3 G7S3-G5 PolarHBondContact O-N 3.22Å; G5-G7 VanDerWaalsContact C-N 3.35Å
6S73.4Confident78.6Confident72 Ų7279.8 Ų79.850%0.50347%0.469SS..  trans-79.1-17.3175.664.80000114.1I4 Y8I4-S6 PolarHBondContact O-N 3.12Å; S6-Y8 VanDerWaalsContact C-N 3.29Å; S6-Y8 PolarHBondContact O-N 3.23Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.25Å
7G86.6Confident79.4Confident24 Ų2488.2 Ų88.225%0.24749%0.491CS..SBendtrans78.62179.200000115.3G5 D9 Q14G5-G7 VanDerWaalsContact C-N 3.35Å; G7-D9 VanDerWaalsContact C-N 3.28Å; G7-D9 PolarHBondContact O-N 3.22Å; G7-Q14 PolarHBondContact O-OE1 3.01Å; G7-Q14 VanDerWaalsContact O-OE1 3.09Å
8Y91.5Very high80.1Confident57 Ų5786.9 Ų86.922%0.22450%0.501CS..THydrogen-bonded Turntrans-79.4-5.1-179.1-65.8-69.3000114.6S6 Q14 F15 R17S6-Y8 VanDerWaalsContact C-N 3.29Å; S6-Y8 PolarHBondContact O-N 3.23Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.25Å; Y8-Q14 HydrophobicContact CD1-CG 4.1Å; Y8-F15 WeakPolarHBondContact CD1-O 3.26Å; Y8-R17 HydrophobicContact CE2-CG 3.76Å; Y8-R17 PolarHBondContact OH-NE 2.94Å; Y8-R17 VanDerWaalsContact OH-NE 3.11Å
9D92.2Very high80.9Confident38 Ų3884.9 Ų84.920%0.20350%0.501CS..THydrogen-bonded Turntrans-107.89.5-176.667.1-27.4000113.2G7 F22 Q23 Y26G7-D9 VanDerWaalsContact C-N 3.28Å; G7-D9 PolarHBondContact O-N 3.22Å; D9-F22 HydrophobicContact CB-CB 3.68Å; D9-F22 HydrophobicContact CB-CD2 3.86Å; D9-F22 HydrophobicContact CB-CG 4.16Å; D9-Q23 PolarHBondContact O-NE2 3.34Å; D9-Y26 HydrophobicContact CB-CE2 3.86Å; D9-Y26 PolarHBondContact OD2-OH 3.01Å
10L91.9Very high81.5Confident137 Ų13783.9 Ų83.972%0.71749%0.493SS*.SBendtrans-76.7-22.2-177.5-61.8178.9000113.4
11T92.7Very high82.2Confident31 Ų3180.9 Ų80.919%0.1948%0.475CS..  trans-150.7151.2-175.6-172.30000112.1S13 Q14 S127T11-S13 PolarHBondContact O-N 3.35Å; T11-Q14 HydrophobicContact CG2-CB 3.5Å; T11-Q14 PolarHBondContact O-N 3.32Å; T11-S127 VanDerWaalsContact OG1-CA 3.23Å; T11-S127 WeakPolarHBondContact OG1-CA 3.28Å; T11-S127 WeakPolarHBondContact OG1-CB 3.38Å
12A93.6Very high84.6Confident6 Ų672 Ų725%0.0543%0.431CS..THydrogen-bonded Turntrans-70.4-2217800000112.7Q14 V21 Q23 P131A12-Q14 PolarHBondContact O-N 3.46Å; A12-V21 WeakPolarHBondContact O-CG1 3.48Å; A12-Q23 HydrophobicContact CB-CB 4.07Å; A12-P131 HydrophobicContact CB-CG 4.09Å
13S93.9Very high87Confident58 Ų5869.9 Ų69.941%0.40641%0.41SS..THydrogen-bonded Turntrans-82.98.9178.370.30000113.9T11 L125T11-S13 PolarHBondContact O-N 3.35Å; S13-L125 WeakPolarHBondContact CB-O 3.41Å
14Q94Very high89.1Confident64 Ų6467 Ų6730%0.29939%0.387SS..  trans-118123.2-176.3-174.117213.300110.9G7 Y8 T11 A12G7-Q14 PolarHBondContact O-OE1 3.01Å; G7-Q14 VanDerWaalsContact O-OE1 3.09Å; Y8-Q14 HydrophobicContact CD1-CG 4.1Å; T11-Q14 HydrophobicContact CG2-CB 3.5Å; T11-Q14 PolarHBondContact O-N 3.32Å; A12-Q14 PolarHBondContact O-N 3.46Å
15F94.8Very high90.9Very high139 Ų13963.6 Ų63.661%0.6137%0.368SS*.  trans-82.9141.3171.9-70.1-80.9000111Y8 G19 V21Y8-F15 WeakPolarHBondContact CD1-O 3.26Å; F15-G19 WeakPolarHBondContact CD1-O 3.45Å; F15-V21 HydrophobicContact CD1-CG2 3.69Å; F15-V21 HydrophobicContact CE1-CG2 3.55Å; F15-V21 HydrophobicContact CG-CG2 4.5Å; F15-V21 HydrophobicContact CZ-CG2 4.25Å
16S92.8Very high92.6Very high14 Ų1463.5 Ų63.510%0.09835%0.345CS..  trans-72.7167.5166.275.20000111.5G18 G19 N20S16-G18 PolarHBondContact O-N 2.81Å; S16-G18 VanDerWaalsContact O-N 3.12Å; S16-G18 PolarHBondContact OG-N 2.63Å; S16-G19 PolarHBondContact O-N 3.06Å; S16-N20 PolarHBondContact N-O 3.33Å; S16-N20 PolarHBondContact OG-N 3.49Å; S16-N20 VanDerWaalsContact OG-N 3.12Å; S16-N20 PolarHBondContact OG-O 3.39Å
17R92.1Very high93.7Very high223 Ų22360.5 Ų60.584%0.84233%0.325SS*.THydrogen-bonded Turntrans-59.1-23173.9-64.9-174.6-179.6-171.9-0.6113.6Y8Y8-R17 HydrophobicContact CE2-CG 3.76Å; Y8-R17 PolarHBondContact OH-NE 2.94Å; Y8-R17 VanDerWaalsContact OH-NE 3.11Å
18G92.3Very high94.2Very high65 Ų6561 Ų6167%0.6732%0.324SS*.THydrogen-bonded Turntrans-87.8-1.8176.700000114.4S16S16-G18 PolarHBondContact O-N 2.81Å; S16-G18 VanDerWaalsContact O-N 3.12Å; S16-G18 PolarHBondContact OG-N 2.63Å
19G93.6Very high94.5Very high48 Ų4863.2 Ų63.250%0.49534%0.335SS..SBendtrans86.85.1-176.800000114.9F15 S16F15-G19 WeakPolarHBondContact CD1-O 3.45Å; S16-G19 PolarHBondContact O-N 3.06Å
20N93.6Very high94.7Very high64 Ų6462.1 Ų62.134%0.34233%0.33SS..  trans-86.8155.3178.5-58.7-6.7000112.3S16 F22 E25S16-N20 PolarHBondContact N-O 3.33Å; S16-N20 PolarHBondContact OG-N 3.49Å; S16-N20 VanDerWaalsContact OG-N 3.12Å; S16-N20 PolarHBondContact OG-O 3.39Å; N20-F22 HydrophobicContact CB-CD1 4.45Å; N20-F22 HydrophobicContact CB-CE1 4.22Å; N20-E25 WeakPolarHBondContact CB-OE1 3.48Å; N20-E25 PolarHBondContact ND2-OE1 2.9Å; N20-E25 VanDerWaalsContact ND2-OE1 3.14Å
21V95.4Very high94.9Very high21 Ų2155.9 Ų55.913%0.12730%0.298CS..  trans-109.998.4167.7-177.70000109A12 F15 Q23 I24A12-V21 WeakPolarHBondContact O-CG1 3.48Å; F15-V21 HydrophobicContact CD1-CG2 3.69Å; F15-V21 HydrophobicContact CE1-CG2 3.55Å; F15-V21 HydrophobicContact CG-CG2 4.5Å; F15-V21 HydrophobicContact CZ-CG2 4.25Å; V21-Q23 VanDerWaalsContact C-N 3.28Å; V21-Q23 PolarHBondContact O-N 3.15Å; V21-I24 HydrophobicContact CB-CD1 3.94Å; V21-I24 HydrophobicContact CB-CG1 4.2Å; V21-I24 HydrophobicContact CG1-CD1 4.04Å; V21-I24 HydrophobicContact CG1-CG1 3.93Å; V21-I24 PolarHBondContact O-N 3.08Å; V21-I24 VanDerWaalsContact O-N 3.11Å
22F95.3Very high95.1Very high41 Ų4159.8 Ų59.818%0.1831%0.314CS..Hα-helixtrans-63.8-28.3-170.9-66.9-52.5000114.3D9 N20 I24 E25 Y26D9-F22 HydrophobicContact CB-CB 3.68Å; D9-F22 HydrophobicContact CB-CD2 3.86Å; D9-F22 HydrophobicContact CB-CG 4.16Å; N20-F22 HydrophobicContact CB-CD1 4.45Å; N20-F22 HydrophobicContact CB-CE1 4.22Å; F22-I24 PolarHBondContact O-N 3.23Å; F22-E25 WeakPolarHBondContact O-CB 3.34Å; F22-E25 PolarHBondContact O-N 3.26Å; F22-E25 VanDerWaalsContact O-N 3.14Å; F22-Y26 HydrophobicContact CB-CE2 4.41Å; F22-Y26 VanDerWaalsContact O-CG 3.27Å; F22-Y26 PolarHBondContact O-N 3.05Å
23Q96.5Very high95Very high52 Ų5266.1 Ų66.124%0.24335%0.347CS..Hα-helixtrans-61.6-30.4176.3-76.7-67.4-46.800112.9D9 A12 V21 A27 P131D9-Q23 PolarHBondContact O-NE2 3.34Å; A12-Q23 HydrophobicContact CB-CB 4.07Å; V21-Q23 VanDerWaalsContact C-N 3.28Å; V21-Q23 PolarHBondContact O-N 3.15Å; Q23-A27 PolarHBondContact O-N 3.48Å; Q23-A27 VanDerWaalsContact O-N 3.14Å; Q23-P131 HydrophobicContact CB-CG 4.25Å
24I96.7Very high95Very high31 Ų3164 Ų6416%0.15933%0.333CS..Hα-helixtrans-72.2-44.3174.3-57175.8000109.8V21 F22 Y26 A27 C28 T124 P131V21-I24 HydrophobicContact CB-CD1 3.94Å; V21-I24 HydrophobicContact CB-CG1 4.2Å; V21-I24 HydrophobicContact CG1-CD1 4.04Å; V21-I24 HydrophobicContact CG1-CG1 3.93Å; V21-I24 PolarHBondContact O-N 3.08Å; V21-I24 VanDerWaalsContact O-N 3.11Å; F22-I24 PolarHBondContact O-N 3.23Å; I24-Y26 VanDerWaalsContact C-N 3.25Å; I24-Y26 PolarHBondContact O-N 2.68Å; I24-A27 WeakPolarHBondContact O-CB 3.49Å; I24-A27 PolarHBondContact O-N 3.33Å; I24-C28 PolarHBondContact O-N 2.99Å; I24-C28 PolarHBondContact O-SG 3.2Å; I24-C28 VanDerWaalsContact O-SG 3.41Å; I24-T124 HydrophobicContact CD1-CG2 4.01Å; I24-T124 HydrophobicContact CG1-CG2 4.07Å; I24-P131 HydrophobicContact CG1-CG 4.41Å
25E95.4Very high95.1Very high76 Ų7661.1 Ų61.136%0.35532%0.32SS..Hα-helixtrans-58.8-38.6176.5-62.2-179.9-16000111.6N20 F22 C28 K29N20-E25 WeakPolarHBondContact CB-OE1 3.48Å; N20-E25 PolarHBondContact ND2-OE1 2.9Å; N20-E25 VanDerWaalsContact ND2-OE1 3.14Å; F22-E25 WeakPolarHBondContact O-CB 3.34Å; F22-E25 PolarHBondContact O-N 3.26Å; F22-E25 VanDerWaalsContact O-N 3.14Å; E25-C28 PolarHBondContact O-N 3.01Å; E25-K29 WeakPolarHBondContact O-CG 3.49Å; E25-K29 PolarHBondContact O-N 3.46Å; E25-K29 VanDerWaalsContact O-N 3.11Å
26Y96.2Very high95.2Very high73 Ų7354.5 Ų54.529%0.28629%0.291SS..Hα-helixtrans-67.8-36.3175.4-61.5-17.3000112.6D9 F22 I24 K29 A30D9-Y26 HydrophobicContact CB-CE2 3.86Å; D9-Y26 PolarHBondContact OD2-OH 3.01Å; F22-Y26 HydrophobicContact CB-CE2 4.41Å; F22-Y26 VanDerWaalsContact O-CG 3.27Å; F22-Y26 PolarHBondContact O-N 3.05Å; I24-Y26 VanDerWaalsContact C-N 3.25Å; I24-Y26 PolarHBondContact O-N 2.68Å; Y26-K29 PolarHBondContact O-N 3.5Å; Y26-A30 PolarHBondContact O-N 2.81Å
27A97.4Very high95.5Very high9 Ų953.8 Ų53.87%0.07429%0.286CS..Hα-helixtrans-65-40.4173.300000111.8Q23 I24 K29 A30 V31 P131 P153Q23-A27 PolarHBondContact O-N 3.48Å; Q23-A27 VanDerWaalsContact O-N 3.14Å; I24-A27 WeakPolarHBondContact O-CB 3.49Å; I24-A27 PolarHBondContact O-N 3.33Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.98Å; A27-A30 WeakPolarHBondContact O-CB 3.34Å; A27-A30 PolarHBondContact O-N 2.91Å; A27-A30 VanDerWaalsContact O-N 3.09Å; A27-V31 PolarHBondContact O-N 3.11Å; A27-P131 HydrophobicContact CB-CB 4.13Å; A27-P153 HydrophobicContact CB-CB 3.85Å; A27-P153 HydrophobicContact CB-CG 4.42Å
28C96.8Very high95.8Very high34 Ų3443.2 Ų43.223%0.2325%0.246CC..Hα-helixtrans-59.8-41.9173.2-64.50000111.9I24 E25 A30 V31 E32I24-C28 PolarHBondContact O-N 2.99Å; I24-C28 PolarHBondContact O-SG 3.2Å; I24-C28 VanDerWaalsContact O-SG 3.41Å; E25-C28 PolarHBondContact O-N 3.01Å; C28-A30 PolarHBondContact O-N 3.3Å; C28-V31 WeakPolarHBondContact O-CA 3.44Å; C28-V31 VanDerWaalsContact O-CB 3.3Å; C28-V31 WeakPolarHBondContact O-CB 3.2Å; C28-V31 PolarHBondContact O-N 3.15Å; C28-E32 PolarHBondContact O-N 3.25Å
29K96.7Very high96.1Very high104 Ų10440.1 Ų40.145%0.45221%0.214SC..Hα-helixtrans-60.7-30174.3-70.3177.7-177.1179.20113.4E25 Y26 A27 V31 E32 N33E25-K29 WeakPolarHBondContact O-CG 3.49Å; E25-K29 PolarHBondContact O-N 3.46Å; E25-K29 VanDerWaalsContact O-N 3.11Å; Y26-K29 PolarHBondContact O-N 3.5Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 2.98Å; K29-V31 VanDerWaalsContact C-N 3.28Å; K29-V31 PolarHBondContact O-N 3.02Å; K29-E32 PolarHBondContact O-N 3.46Å; K29-N33 PolarHBondContact O-N 3.43Å; K29-N33 PolarHBondContact O-ND2 3.38Å
30A96.1Very high96.4Very high14 Ų1437.8 Ų37.812%0.11619%0.19CC..Hα-helixtrans-66.5-33.9174.500000111.8Y26 A27 C28 F81Y26-A30 PolarHBondContact O-N 2.81Å; A27-A30 WeakPolarHBondContact O-CB 3.34Å; A27-A30 PolarHBondContact O-N 2.91Å; A27-A30 VanDerWaalsContact O-N 3.09Å; C28-A30 PolarHBondContact O-N 3.3Å; A30-F81 HydrophobicContact CB-CD2 4.28Å; A30-F81 HydrophobicContact CB-CE1 4.32Å; A30-F81 HydrophobicContact CB-CE2 3.85Å; A30-F81 HydrophobicContact CB-CZ 3.86Å
31V97.4Very high96.6Very high6 Ų636.3 Ų36.34%0.03618%0.181CC..Hα-helixtrans-68.2-45.8173.6-174.30000110.5A27 C28 K29 N33 S34 M79 P153A27-V31 PolarHBondContact O-N 3.11Å; C28-V31 WeakPolarHBondContact O-CA 3.44Å; C28-V31 VanDerWaalsContact O-CB 3.3Å; C28-V31 WeakPolarHBondContact O-CB 3.2Å; C28-V31 PolarHBondContact O-N 3.15Å; K29-V31 VanDerWaalsContact C-N 3.28Å; K29-V31 PolarHBondContact O-N 3.02Å; V31-N33 PolarHBondContact O-N 3.1Å; V31-N33 VanDerWaalsContact O-N 3.13Å; V31-S34 WeakPolarHBondContact O-CB 3.44Å; V31-S34 PolarHBondContact O-N 3.13Å; V31-M79 HydrophobicContact CG1-CB 4.12Å; V31-P153 HydrophobicContact CG2-CG 3.97Å
32E95.6Very high96.7Very high113 Ų11335.4 Ų35.453%0.52818%0.176SC..Hα-helixtrans-61.6-18.6178.5-66.7170.5179.300113.7C28 K29 K167C28-E32 PolarHBondContact O-N 3.25Å; K29-E32 PolarHBondContact O-N 3.46Å; E32-K167 WeakPolarHBondContact O-CA 3.46Å; E32-K167 WeakPolarHBondContact O-CB 3.49Å
33N93.3Very high96.7Very high140 Ų14039.6 Ų39.675%0.74919%0.194SC*.THydrogen-bonded Turntrans-92.91.4175.3-71.4-51.1000113.7K29 V31K29-N33 PolarHBondContact O-N 3.43Å; K29-N33 PolarHBondContact O-ND2 3.38Å; V31-N33 PolarHBondContact O-N 3.1Å; V31-N33 VanDerWaalsContact O-N 3.13Å
34S93.6Very high96.7Very high14 Ų1440.2 Ų40.210%0.09820%0.199CC..SBendtrans-87.9168.6173-68.80000111.5V31 G80 K167V31-S34 WeakPolarHBondContact O-CB 3.44Å; V31-S34 PolarHBondContact O-N 3.13Å; S34-G80 WeakPolarHBondContact OG-CA 3.4Å; S34-G80 PolarHBondContact OG-N 3.35Å; S34-G80 PolarHBondContact OG-O 3.49Å; S34-K167 VanDerWaalsContact O-CB 3.23Å; S34-K167 WeakPolarHBondContact O-CB 3.26Å; S34-K167 VanDerWaalsContact O-CG 3.3Å; S34-K167 WeakPolarHBondContact O-CG 3.41Å; S34-K167 PolarHBondContact O-N 3.44Å; S34-K167 VanDerWaalsContact O-N 3.11Å
35G95.4Very high96.7Very high2 Ų238.8 Ų38.82%0.02119%0.192CC..  trans-54.2176.3163.900000112.2M79 G166G35-M79 WeakPolarHBondContact O-CE 3.34Å; G35-G166 WeakPolarHBondContact O-CA 3.45Å
36T98Very high96.9Very high0 Ų035.2 Ų35.20%018%0.175CC..  trans-97.8137.7-176.9-47.90000110.7E51 A168 A172 V200T36-E51 WeakPolarHBondContact CB-OE2 3.49Å; T36-E51 PolarHBondContact N-OE2 3.1Å; T36-E51 VanDerWaalsContact O-CB 3.29Å; T36-E51 WeakPolarHBondContact O-CB 3.27Å; T36-E51 PolarHBondContact O-N 2.94Å; T36-E51 PolarHBondContact OG1-OE2 3.24Å; T36-E51 VanDerWaalsContact OG1-OE2 3.08Å; T36-A168 HydrophobicContact CG2-CB 4.12Å; T36-A168 VanDerWaalsContact OG1-CB 3.29Å; T36-A168 WeakPolarHBondContact OG1-CB 3.44Å; T36-A168 PolarHBondContact OG1-N 3.49Å; T36-A172 HydrophobicContact CG2-CB 4.24Å; T36-V200 HydrophobicContact CG2-CG2 4.23Å
37A98.6Very high97Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-126.8144166.900000109.7A49 V50 V77 M79 L137 A164 I165A37-A49 WeakPolarHBondContact CA-O 3.48Å; A37-V50 HydrophobicContact CB-CB 4.46Å; A37-V50 HydrophobicContact CB-CG1 4.22Å; A37-V50 HydrophobicContact CB-CG2 3.93Å; A37-V77 HydrophobicContact CB-CG1 3.64Å; A37-M79 HydrophobicContact CB-CE 4.32Å; A37-M79 HydrophobicContact CB-CG 3.53Å; A37-M79 HydrophobicContact CB-SD 3.67Å; A37-L137 HydrophobicContact CB-CD1 4.29Å; A37-A164 CarbonylContact O-C 3.5Å; A37-A164 WeakPolarHBondContact O-CA 3.45Å; A37-I165 HydrophobicContact CB-CG1 4.05Å; A37-I165 PolarHBondContact N-O 2.87Å; A37-I165 PolarHBondContact O-N 3.27Å
38I98.7Very high97.1Very high0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-127.6154.3174.267.3177.9000110.4I40 F48 A49 C163 A164 A172 I176 A193 I196 I197I38-I40 HydrophobicContact CD1-CD1 4.21Å; I38-F48 WeakPolarHBondContact O-CA 3.36Å; I38-A49 HydrophobicContact CD1-CB 4.16Å; I38-A49 HydrophobicContact CG1-CB 3.79Å; I38-A49 PolarHBondContact N-O 3.27Å; I38-A49 PolarHBondContact O-N 3.37Å; I38-C163 CarbonylContact C-O 3.56Å; I38-C163 VanDerWaalsContact CA-O 3.27Å; I38-C163 WeakPolarHBondContact CA-O 3.27Å; I38-A164 HydrophobicContact CG2-CB 3.83Å; I38-A172 HydrophobicContact CG2-CB 3.85Å; I38-I176 HydrophobicContact CB-CD1 4.16Å; I38-I176 HydrophobicContact CG2-CD1 4.12Å; I38-A193 HydrophobicContact CD1-CB 4.16Å; I38-A193 WeakPolarHBondContact CD1-O 3.41Å; I38-I196 HydrophobicContact CD1-CB 3.81Å; I38-I196 HydrophobicContact CD1-CD1 4.36Å; I38-I196 HydrophobicContact CD1-CG2 3.71Å; I38-I196 HydrophobicContact CG2-CG2 4.42Å; I38-I197 HydrophobicContact CD1-CD1 4.32Å; I38-I197 HydrophobicContact CD1-CG1 4.26Å; I38-I197 HydrophobicContact CG1-CD1 4.12Å; I38-I197 HydrophobicContact CG1-CG1 4.4Å; I38-I197 HydrophobicContact CG2-CD1 4.29Å
39A98.7Very high97.2Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-134.5137.6166.300000109.3V47 F48 L137 L148 G162 C163A39-V47 CarbonylContact C-O 3.59Å; A39-V47 VanDerWaalsContact CA-O 3.26Å; A39-V47 WeakPolarHBondContact CA-O 3.12Å; A39-F48 HydrophobicContact CB-CD1 3.56Å; A39-F48 HydrophobicContact CB-CE1 3.61Å; A39-L137 HydrophobicContact CB-CB 4.39Å; A39-L137 HydrophobicContact CB-CD1 3.89Å; A39-L137 HydrophobicContact CB-CD2 4.5Å; A39-L137 HydrophobicContact CB-CG 4.49Å; A39-L148 HydrophobicContact CB-CD1 3.41Å; A39-L148 VanDerWaalsContact CB-CD1 3.41Å; A39-L148 HydrophobicContact CB-CD2 3.76Å; A39-L148 HydrophobicContact CB-CG 4.25Å; A39-L148 WeakPolarHBondContact O-CD2 3.38Å; A39-G162 CarbonylContact O-C 3.57Å; A39-G162 VanDerWaalsContact O-CA 3.31Å; A39-G162 WeakPolarHBondContact O-CA 3.37Å; A39-C163 PolarHBondContact N-O 2.75Å; A39-C163 PolarHBondContact O-N 3.47Å
40I98.5Very high97.3Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-129.6124.7-178.7-46.6177.9000108.6I38 V46 V47 I176 L179 M181 L189 A193 I196I38-I40 HydrophobicContact CD1-CD1 4.21Å; I40-V46 WeakPolarHBondContact O-CA 3.4Å; I40-V47 PolarHBondContact N-O 3.41Å; I40-V47 PolarHBondContact O-N 3.44Å; I40-I176 HydrophobicContact CD1-CG1 4.43Å; I40-L179 HydrophobicContact CD1-CD1 3.96Å; I40-M181 HydrophobicContact CG2-CB 4.27Å; I40-M181 HydrophobicContact CG2-CE 4.47Å; I40-M181 HydrophobicContact CG2-CG 3.67Å; I40-M181 HydrophobicContact CG2-SD 3.53Å; I40-M181 VanDerWaalsContact CG2-SD 3.53Å; I40-L189 HydrophobicContact CB-CD1 4.3Å; I40-L189 HydrophobicContact CB-CD2 4.41Å; I40-L189 HydrophobicContact CB-CG 4.39Å; I40-L189 HydrophobicContact CG2-CD1 3.68Å; I40-L189 HydrophobicContact CG2-CD2 4.32Å; I40-L189 HydrophobicContact CG2-CG 4.26Å; I40-A193 HydrophobicContact CD1-CB 4.02Å; I40-I196 HydrophobicContact CD1-CD1 4.11Å
41Q98.1Very high97.3Very high32 Ų3224 Ų2415%0.1512%0.12CC..EExtended strand (participates in β ladder)trans-89.5106.1173.4-172.1-167.6-1.300108.1V46 P146 L148 Y160 F161Q41-V46 HydrophobicContact CG-CG2 4.4Å; Q41-P146 HydrophobicContact CG-CB 3.92Å; Q41-P146 HydrophobicContact CG-CG 3.83Å; Q41-P146 PolarHBondContact NE2-O 3.03Å; Q41-L148 HydrophobicContact CB-CB 4.24Å; Q41-L148 HydrophobicContact CB-CD2 4.32Å; Q41-Y160 PolarHBondContact OE1-O 2.69Å; Q41-F161 WeakPolarHBondContact CA-O 3.45Å; Q41-F161 WeakPolarHBondContact CB-O 3.34Å; Q41-F161 PolarHBondContact N-O 3Å; Q41-F161 VanDerWaalsContact OE1-CD1 3.31Å
42G97.3Very high97.3Very high2 Ų223.8 Ų23.82%0.02112%0.118CC..  trans-81.3-170.8167.200000111.2C45 P146G42-C45 PolarHBondContact N-O 3.42Å; G42-P146 VanDerWaalsContact O-CG 3.27Å; G42-P146 WeakPolarHBondContact O-CG 3.37Å
43K96Very high97.2Very high129 Ų12919.7 Ų19.756%0.56110%0.1SC*.SBendtrans-61.6-45.9177.3-177.1-174.5171.9-172.50113P146K43-P146 WeakPolarHBondContact O-CD 3.19Å; K43-P146 WeakPolarHBondContact O-CG 3.34Å
44D96.1Very high97.2Very high65 Ų6514.2 Ų14.235%0.3487%0.072SC..SBendtrans-124.510.3-169.2-61.3-50.9000113Y141 G217 A218D44-Y141 WeakPolarHBondContact O-CD2 3.48Å; D44-Y141 VanDerWaalsContact O-CE2 3.24Å; D44-Y141 WeakPolarHBondContact O-CE2 3.4Å; D44-G217 CarbonylContact O-C 3.49Å; D44-G217 WeakPolarHBondContact O-CA 3.26Å; D44-A218 HydrophobicContact CB-CB 4.13Å; D44-A218 PolarHBondContact O-N 3.43Å
45C98Very high97.1Very high2 Ų218.8 Ų18.81%0.01410%0.099CC..EExtended strand (participates in β ladder)trans-157.7163.6-179.466.30000113.1G42 V216G42-C45 PolarHBondContact N-O 3.42Å; C45-V216 CarbonylContact C-O 3.57Å; C45-V216 VanDerWaalsContact CA-O 3.25Å; C45-V216 WeakPolarHBondContact CA-O 3.24Å; C45-V216 WeakPolarHBondContact CB-O 3.45Å
46V98.6Very high97Very high0 Ų020.4 Ų20.40%011%0.11CC..EExtended strand (participates in β ladder)trans-114.2131.6161.6-177.10000107.9I40 Q41 F48 P146 H147 L148 W215 V216I40-V46 WeakPolarHBondContact O-CA 3.4Å; Q41-V46 HydrophobicContact CG-CG2 4.4Å; V46-F48 HydrophobicContact CG1-CE1 4.44Å; V46-F48 HydrophobicContact CG1-CE2 4.12Å; V46-F48 HydrophobicContact CG1-CZ 4.02Å; V46-P146 HydrophobicContact CG2-CB 3.68Å; V46-H147 WeakPolarHBondContact CG2-O 3.5Å; V46-L148 HydrophobicContact CG1-CB 4.4Å; V46-L148 HydrophobicContact CG1-CD1 4.34Å; V46-L148 HydrophobicContact CG2-CB 4.46Å; V46-W215 CarbonylContact O-C 3.55Å; V46-W215 VanDerWaalsContact O-CA 3.22Å; V46-W215 WeakPolarHBondContact O-CA 3.32Å; V46-V216 HydrophobicContact CB-CG1 4.04Å; V46-V216 PolarHBondContact N-O 2.95Å; V46-V216 PolarHBondContact O-N 2.96Å
47V98.6Very high96.6Very high0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-113.8134.7176174.90000109A39 I40 L189 I190 A193 W215A39-V47 CarbonylContact C-O 3.59Å; A39-V47 VanDerWaalsContact CA-O 3.26Å; A39-V47 WeakPolarHBondContact CA-O 3.12Å; I40-V47 PolarHBondContact N-O 3.41Å; I40-V47 PolarHBondContact O-N 3.44Å; V47-L189 HydrophobicContact CB-CD2 4.3Å; V47-L189 HydrophobicContact CG2-CB 4.34Å; V47-L189 HydrophobicContact CG2-CD2 3.87Å; V47-L189 HydrophobicContact CG2-CG 4.21Å; V47-I190 HydrophobicContact CG1-CG1 4Å; V47-I190 HydrophobicContact CG2-CG1 3.86Å; V47-A193 HydrophobicContact CG1-CB 3.91Å; V47-W215 HydrophobicContact CG2-CB 4.16Å
48F98.8Very high96.5Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-109.5138.2171.3-62-79.2000110.1I38 A39 V46 I67 V77 L137 L148 L213 S214 H224I38-F48 WeakPolarHBondContact O-CA 3.36Å; A39-F48 HydrophobicContact CB-CD1 3.56Å; A39-F48 HydrophobicContact CB-CE1 3.61Å; V46-F48 HydrophobicContact CG1-CE1 4.44Å; V46-F48 HydrophobicContact CG1-CE2 4.12Å; V46-F48 HydrophobicContact CG1-CZ 4.02Å; F48-I67 HydrophobicContact CB-CD1 4.31Å; F48-V77 HydrophobicContact CB-CG2 3.86Å; F48-V77 HydrophobicContact CD1-CB 4.37Å; F48-V77 HydrophobicContact CD1-CG2 3.43Å; F48-V77 VanDerWaalsContact CD1-CG2 3.43Å; F48-V77 HydrophobicContact CE1-CG2 4.09Å; F48-V77 HydrophobicContact CG-CG2 3.73Å; F48-L137 HydrophobicContact CD1-CB 4.42Å; F48-L137 HydrophobicContact CE1-CB 3.92Å; F48-L148 HydrophobicContact CE1-CD1 4.44Å; F48-L213 WeakPolarHBondContact O-CA 3.39Å; F48-S214 WeakPolarHBondContact CD2-OG 3.36Å; F48-S214 PolarHBondContact N-O 2.76Å; F48-S214 PolarHBondContact O-N 3.44Å; F48-S214 VanDerWaalsContact O-N 3.09Å; F48-H224 AromaticContact CD2-NE2 3.73Å; F48-H224 AromaticContact CE2-NE2 3.93Å
49A98.7Very high96.2Very high0 Ų042.2 Ų42.20%021%0.209CC..EExtended strand (participates in β ladder)trans-133.7135170.600000110.4A37 I38 A193 I197 L211 D212 L213A37-A49 WeakPolarHBondContact CA-O 3.48Å; I38-A49 HydrophobicContact CD1-CB 4.16Å; I38-A49 HydrophobicContact CG1-CB 3.79Å; I38-A49 PolarHBondContact N-O 3.27Å; I38-A49 PolarHBondContact O-N 3.37Å; A49-A193 HydrophobicContact CB-CB 3.95Å; A49-I197 HydrophobicContact CB-CD1 4.38Å; A49-I197 HydrophobicContact CB-CG1 3.67Å; A49-L211 HydrophobicContact CB-CD1 4.46Å; A49-D212 WeakPolarHBondContact CA-O 2.91Å; A49-L213 HydrophobicContact CB-CD2 3.42Å; A49-L213 VanDerWaalsContact CB-CD2 3.42Å
50V98.5Very high96Very high0 Ų049.7 Ų49.70%024%0.244CC..EExtended strand (participates in β ladder)trans-133.4132.5-174.8-172.50000111.5A37 R66 I67 V77 M79 D212A37-V50 HydrophobicContact CB-CB 4.46Å; A37-V50 HydrophobicContact CB-CG1 4.22Å; A37-V50 HydrophobicContact CB-CG2 3.93Å; V50-R66 HydrophobicContact CG1-CB 4Å; V50-I67 HydrophobicContact CG2-CD1 3.89Å; V50-I67 HydrophobicContact CG2-CG1 3.69Å; V50-V77 HydrophobicContact CG2-CG1 3.53Å; V50-V77 HydrophobicContact CG2-CG2 4.2Å; V50-M79 HydrophobicContact CG1-CE 4.22Å; V50-M79 HydrophobicContact CG1-SD 4.09Å; V50-D212 HydrophobicContact CB-CB 4.3Å; V50-D212 PolarHBondContact N-O 3.14Å; V50-D212 PolarHBondContact O-N 3.46Å
51E97.7Very high95.7Very high0 Ų055.1 Ų55.10%028%0.28CS..EExtended strand (participates in β ladder)trans-86.699168.2-173.9-159.1-175.300109.5T36 I53 K167 I197 H201 F209T36-E51 WeakPolarHBondContact CB-OE2 3.49Å; T36-E51 PolarHBondContact N-OE2 3.1Å; T36-E51 VanDerWaalsContact O-CB 3.29Å; T36-E51 WeakPolarHBondContact O-CB 3.27Å; T36-E51 PolarHBondContact O-N 2.94Å; T36-E51 PolarHBondContact OG1-OE2 3.24Å; T36-E51 VanDerWaalsContact OG1-OE2 3.08Å; E51-I53 HydrophobicContact CG-CD1 3.79Å; E51-I53 PolarHBondContact O-N 2.84Å; E51-I53 WeakPolarHBondContact OE1-CD1 3.43Å; E51-K167 WeakPolarHBondContact OE1-CE 3.42Å; E51-K167 IonicContact OE1-NZ 2.87Å; E51-K167 PolarHBondContact OE1-NZ 2.93Å; E51-K167 WeakPolarHBondContact OE2-CE 3.21Å; E51-K167 IonicContact OE2-NZ 3.88Å; E51-K167 PolarHBondContact OE2-NZ 3.46Å; E51-I197 HydrophobicContact CB-CG2 3.93Å; E51-I197 HydrophobicContact CG-CG2 4.47Å; E51-H201 IonicContact OE1-CE1 3.87Å; E51-H201 IonicContact OE1-CG 3.53Å; E51-H201 IonicContact OE1-ND1 3.42Å; E51-H201 PolarHBondContact OE1-ND1 3.38Å; E51-F209 HydrophobicContact CB-CD2 4.34Å; E51-F209 HydrophobicContact CG-CB 4.01Å; E51-F209 HydrophobicContact CG-CD2 3.75Å; E51-F209 HydrophobicContact CG-CE2 4.4Å; E51-F209 HydrophobicContact CG-CG 3.93Å
52N96Very high95.3Very high0 Ų054.9 Ų54.90%029%0.285CS..EExtended strand (participates in β ladder)trans-90.9101.4175.1-68.6-50.5000110.8V54 V64 R66 F209 E210 D212N52-V54 PolarHBondContact O-N 2.89Å; N52-V64 HydrophobicContact CB-CB 4.18Å; N52-V64 HydrophobicContact CB-CG1 3.99Å; N52-V64 PolarHBondContact ND2-O 3.15Å; N52-V64 PolarHBondContact OD1-O 3.44Å; N52-R66 VanDerWaalsContact OD1-CD 3.28Å; N52-R66 WeakPolarHBondContact OD1-CD 3.42Å; N52-R66 VanDerWaalsContact OD1-CG 3.27Å; N52-R66 WeakPolarHBondContact OD1-CG 3.42Å; N52-F209 CarbonylContact O-C 3.56Å; N52-F209 WeakPolarHBondContact O-CA 3.43Å; N52-F209 WeakPolarHBondContact O-CB 3.35Å; N52-E210 HydrophobicContact CB-CB 4.26Å; N52-E210 WeakPolarHBondContact CB-O 3.32Å; N52-E210 PolarHBondContact N-O 3.27Å; N52-E210 PolarHBondContact O-N 3.39Å; N52-D212 PolarHBondContact ND2-OD2 3.27Å
53I94.4Very high95Very high28 Ų2858 Ų5814%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-62.6123.9177.7-48.8-54.3000111E51 T55 D206 F209E51-I53 HydrophobicContact CG-CD1 3.79Å; E51-I53 PolarHBondContact O-N 2.84Å; E51-I53 WeakPolarHBondContact OE1-CD1 3.43Å; I53-T55 HydrophobicContact CG2-CG2 4.33Å; I53-D206 HydrophobicContact CD1-CB 3.93Å; I53-D206 HydrophobicContact CG2-CB 4.18Å; I53-D206 WeakPolarHBondContact CG2-OD1 3.11Å; I53-F209 HydrophobicContact CD1-CB 4.26Å
54V93.4Very high94.8Very high25 Ų2553 Ų5315%0.15229%0.287CS..  trans-98.7101177.3-179.30000109.2N52 S56 Y59 N208 E210N52-V54 PolarHBondContact O-N 2.89Å; V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 WeakPolarHBondContact CG1-O 3.29Å; V54-Y59 HydrophobicContact CG1-CD2 4.36Å; V54-N208 HydrophobicContact CB-CB 4.24Å; V54-N208 PolarHBondContact N-O 3.28Å; V54-E210 HydrophobicContact CG2-CB 4.41Å; V54-E210 HydrophobicContact CG2-CG 3.78Å
55T91.3Very high94.6Very high110 Ų11056.3 Ų56.368%0.67530%0.298SS*.  trans-80.4-15.6-176.859.20000113.6I53 Y59I53-T55 HydrophobicContact CG2-CG2 4.33Å; T55-Y59 VanDerWaalsContact OG1-CE2 3.29Å; T55-Y59 WeakPolarHBondContact OG1-CE2 3.37Å; T55-Y59 PolarHBondContact OG1-OH 3.06Å
56S92.7Very high94.6Very high35 Ų3557.3 Ų57.325%0.24530%0.301CS..  trans-142.7131.9-179.5-177.70000111.4V54 L58 Y59V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 WeakPolarHBondContact CG1-O 3.29Å; S56-L58 PolarHBondContact O-N 3.22Å; S56-L58 VanDerWaalsContact O-N 3.14Å; S56-L58 WeakPolarHBondContact OG-CB 3.38Å; S56-L58 PolarHBondContact OG-N 3.3Å; S56-L58 VanDerWaalsContact OG-N 3.16Å; S56-Y59 WeakPolarHBondContact O-CB 3.38Å; S56-Y59 PolarHBondContact O-N 3.26Å
57K90.9Very high94.5Very high186 Ų18658.7 Ų58.781%0.80931%0.309SS*.THydrogen-bonded Turntrans-66.6-8.9171-63.6-176.9177.8-173.50113.4Y59K57-Y59 VanDerWaalsContact C-N 3.32Å
58L95.2Very high94.5Very high162 Ų16260.4 Ų60.485%0.84832%0.315SS*.THydrogen-bonded Turntrans-85.4-7.5176.6-56.9177.2000112.7S56S56-L58 PolarHBondContact O-N 3.22Å; S56-L58 VanDerWaalsContact O-N 3.14Å; S56-L58 WeakPolarHBondContact OG-CB 3.38Å; S56-L58 PolarHBondContact OG-N 3.3Å; S56-L58 VanDerWaalsContact OG-N 3.16Å
59Y93Very high94.5Very high111 Ų11163.9 Ų63.944%0.43533%0.334SS..SBendtrans-69.5137172.5-71.6-13.3000110.4V54 T55 S56 K57 C63 V64V54-Y59 HydrophobicContact CG1-CD2 4.36Å; T55-Y59 VanDerWaalsContact OG1-CE2 3.29Å; T55-Y59 WeakPolarHBondContact OG1-CE2 3.37Å; T55-Y59 PolarHBondContact OG1-OH 3.06Å; S56-Y59 WeakPolarHBondContact O-CB 3.38Å; S56-Y59 PolarHBondContact O-N 3.26Å; K57-Y59 VanDerWaalsContact C-N 3.32Å; Y59-C63 VanDerWaalsContact CB-SG 3.59Å; Y59-V64 HydrophobicContact CD2-CG2 4.32Å
60E94.1Very high94.5Very high156 Ų15664.4 Ų64.473%0.72934%0.337SS*.PPolyproline II helixtrans-65.1137.3167-69.8-174.3173.900108.8G62 C63E60-G62 PolarHBondContact O-N 3.35Å; E60-C63 VanDerWaalsContact O-CB 3.26Å; E60-C63 WeakPolarHBondContact O-CB 3.34Å; E60-C63 PolarHBondContact O-N 2.86Å; E60-C63 VanDerWaalsContact O-N 3.13Å; E60-C63 PolarHBondContact O-SG 3.36Å; E60-C63 VanDerWaalsContact O-SG 3.39Å
61P91.6Very high94.4Very high115 Ų11565.5 Ų65.575%0.74734%0.342SS*.THydrogen-bonded Turntrans-54.5133.9177.9-27.535000112.4C63 E210P61-C63 VanDerWaalsContact C-N 3.34Å; P61-E210 VanDerWaalsContact CA-OE1 3.22Å; P61-E210 WeakPolarHBondContact CA-OE1 3.38Å
62G90.8Very high94.4Very high26 Ų2668.4 Ų68.427%0.26836%0.358SS..THydrogen-bonded Turntrans76.912.5-179.300000115.1E60 V64 K65 E210E60-G62 PolarHBondContact O-N 3.35Å; G62-V64 VanDerWaalsContact C-N 3.34Å; G62-K65 VanDerWaalsContact O-CE 3.28Å; G62-K65 WeakPolarHBondContact O-CE 3.47Å; G62-K65 WeakPolarHBondContact O-CG 3.48Å; G62-E210 VanDerWaalsContact CA-OE2 3.3Å; G62-E210 WeakPolarHBondContact CA-OE2 3.46Å; G62-E210 PolarHBondContact N-OE1 3.05Å; G62-E210 PolarHBondContact N-OE2 3.16Å
63C91.7Very high94.4Very high68 Ų6868.8 Ų68.846%0.45936%0.36SS..  trans-74.4-24.4176.678.90000113.1Y59 E60 P61 K65Y59-C63 VanDerWaalsContact CB-SG 3.59Å; E60-C63 VanDerWaalsContact O-CB 3.26Å; E60-C63 WeakPolarHBondContact O-CB 3.34Å; E60-C63 PolarHBondContact O-N 2.86Å; E60-C63 VanDerWaalsContact O-N 3.13Å; E60-C63 PolarHBondContact O-SG 3.36Å; E60-C63 VanDerWaalsContact O-SG 3.39Å; P61-C63 VanDerWaalsContact C-N 3.34Å; C63-K65 PolarHBondContact O-N 3.09Å
64V91.6Very high94.7Very high25 Ų2567.5 Ų67.515%0.15235%0.353CS..SBendtrans-86.886.8177.4-175.30000108.8N52 Y59 G62N52-V64 HydrophobicContact CB-CB 4.18Å; N52-V64 HydrophobicContact CB-CG1 3.99Å; N52-V64 PolarHBondContact ND2-O 3.15Å; N52-V64 PolarHBondContact OD1-O 3.44Å; Y59-V64 HydrophobicContact CD2-CG2 4.32Å; G62-V64 VanDerWaalsContact C-N 3.34Å
65K91.7Very high94.9Very high133 Ų13366.3 Ų66.358%0.57835%0.346SS*.  trans-94.9129-179.3-62.2-170.7178.5-175.30111.7G62 C63 Y68G62-K65 VanDerWaalsContact O-CE 3.28Å; G62-K65 WeakPolarHBondContact O-CE 3.47Å; G62-K65 WeakPolarHBondContact O-CG 3.48Å; C63-K65 PolarHBondContact O-N 3.09Å; K65-Y68 PolarHBondContact O-OH 3.36Å
66R96.6Very high95.3Very high24 Ų2461 Ų619%0.09131%0.313CS..  trans-126.7-9.6175.9-65.3-169.6179.1-117.81.5114.1V50 N52 Y68 V77 V78 M79V50-R66 HydrophobicContact CG1-CB 4Å; N52-R66 VanDerWaalsContact OD1-CD 3.28Å; N52-R66 WeakPolarHBondContact OD1-CD 3.42Å; N52-R66 VanDerWaalsContact OD1-CG 3.27Å; N52-R66 WeakPolarHBondContact OD1-CG 3.42Å; R66-Y68 WeakPolarHBondContact O-CD2 3.29Å; R66-Y68 VanDerWaalsContact O-CE2 3.31Å; R66-Y68 WeakPolarHBondContact O-CE2 3.35Å; R66-V77 WeakPolarHBondContact O-CA 3.38Å; R66-V78 PolarHBondContact O-N 3.25Å; R66-V78 VanDerWaalsContact O-N 3.12Å; R66-M79 HydrophobicContact CB-SD 4.4Å; R66-M79 WeakPolarHBondContact CD-SD 3.49Å; R66-M79 HydrophobicContact CG-SD 4.49Å
67I98Very high95.5Very high29 Ų2959.4 Ų59.415%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-98.2131.8172.3-49.6-169.4000109.2F48 V50 M76 V77 D212 S214F48-I67 HydrophobicContact CB-CD1 4.31Å; V50-I67 HydrophobicContact CG2-CD1 3.89Å; V50-I67 HydrophobicContact CG2-CG1 3.69Å; I67-M76 CarbonylContact C-O 3.59Å; I67-M76 WeakPolarHBondContact CA-O 3.21Å; I67-V77 HydrophobicContact CB-CG2 4.45Å; I67-V77 HydrophobicContact CG1-CG2 3.98Å; I67-V77 HydrophobicContact CG2-CG2 4.37Å; I67-D212 HydrophobicContact CD1-CB 3.79Å; I67-D212 HydrophobicContact CG1-CB 4.26Å; I67-S214 VanDerWaalsContact CG2-OG 3.26Å; I67-S214 WeakPolarHBondContact CG2-OG 3.42Å
68Y98.3Very high95.9Very high36 Ų3650.5 Ų50.514%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-132.2139.3-175.8-58.8-87.6000111.2K65 R66 M76 V78 V89K65-Y68 PolarHBondContact O-OH 3.36Å; R66-Y68 WeakPolarHBondContact O-CD2 3.29Å; R66-Y68 VanDerWaalsContact O-CE2 3.31Å; R66-Y68 WeakPolarHBondContact O-CE2 3.35Å; Y68-M76 PolarHBondContact N-O 3.34Å; Y68-M76 PolarHBondContact O-N 3.1Å; Y68-V78 HydrophobicContact CD2-CG2 4.28Å; Y68-V78 HydrophobicContact CE2-CG2 4.31Å; Y68-V89 HydrophobicContact CD1-CG1 3.97Å; Y68-V89 HydrophobicContact CD1-CG2 3.98Å; Y68-V89 HydrophobicContact CD2-CG2 3.6Å; Y68-V89 HydrophobicContact CE1-CG2 4.27Å; Y68-V89 HydrophobicContact CE2-CG2 3.94Å; Y68-V89 HydrophobicContact CG-CG1 4.14Å; Y68-V89 HydrophobicContact CG-CG2 3.62Å
69N98Very high96Very high73 Ų7342.8 Ų42.839%0.3922%0.223SC..EExtended strand (participates in β ladder)trans-82.4120.9161.1-65.42000107.7R93 H224N69-R93 PolarHBondContact O-NE 3.49Å; N69-R93 VanDerWaalsContact O-NE 3.15Å; N69-R93 PolarHBondContact O-NH2 3.18Å; N69-H224 PolarHBondContact ND2-O 2.88Å; N69-H224 PolarHBondContact OD1-CE1 3.05Å; N69-H224 PolarHBondContact OD1-ND1 2.9Å
70I98.2Very high96.2Very high11 Ų1137.7 Ų37.76%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-96.3-38.1176.5-56.5-51.9000110.4I74 M76 V89 A92 R93 L112I70-I74 HydrophobicContact CB-CB 4.41Å; I70-I74 HydrophobicContact CB-CG2 4.18Å; I70-I74 PolarHBondContact N-O 2.95Å; I70-I74 VanDerWaalsContact N-O 3.08Å; I70-M76 HydrophobicContact CD1-CB 3.81Å; I70-M76 HydrophobicContact CD1-CG 4.26Å; I70-M76 HydrophobicContact CD1-SD 3.41Å; I70-M76 WeakPolarHBondContact CD1-SD 3.47Å; I70-M76 HydrophobicContact CG1-CB 3.33Å; I70-M76 HydrophobicContact CG1-CG 4.09Å; I70-M76 HydrophobicContact CG1-SD 3.61Å; I70-V89 HydrophobicContact CD1-CB 4.3Å; I70-V89 HydrophobicContact CD1-CG1 3.82Å; I70-V89 HydrophobicContact CD1-CG2 4.29Å; I70-A92 HydrophobicContact CD1-CB 4.35Å; I70-A92 HydrophobicContact CG1-CB 4.45Å; I70-A92 HydrophobicContact CG2-CB 3.55Å; I70-R93 HydrophobicContact CD1-CG 4.39Å; I70-R93 HydrophobicContact CG2-CG 4.17Å; I70-R93 WeakPolarHBondContact O-CG 3.24Å; I70-L112 HydrophobicContact CG2-CD2 4.17Å
71D97.6Very high96.3Very high22 Ų2235.4 Ų35.412%0.11819%0.192CC..EExtended strand (participates in β ladder)trans-140.6176.1165.1-150.7-16.5000107.6H73 I74 C96 R100D71-H73 PolarHBondContact O-N 3.17Å; D71-H73 VanDerWaalsContact O-N 3.16Å; D71-H73 IonicContact OD2-CE1 2.78Å; D71-H73 PolarHBondContact OD2-CE1 2.97Å; D71-H73 IonicContact OD2-ND1 3.56Å; D71-I74 HydrophobicContact CB-CB 4.43Å; D71-I74 HydrophobicContact CB-CG1 4.47Å; D71-I74 PolarHBondContact O-N 3.47Å; D71-C96 HydrophobicContact CB-CB 4.34Å; D71-R100 IonicContact OD1-CZ 2.71Å; D71-R100 IonicContact OD1-NH1 2.61Å; D71-R100 IonicContact OD1-NH2 3.53Å; D71-R100 PolarHBondContact OD1-NH2 2.72Å; D71-R100 IonicContact OD2-CZ 3.57Å; D71-R100 IonicContact OD2-NH1 3.57Å; D71-R100 PolarHBondContact OD2-NH1 3.44Å; D71-R100 IonicContact OD2-NH2 3.46Å; D71-R100 PolarHBondContact OD2-NH2 2.95Å
72D96.5Very high96.4Very high62 Ų6232.7 Ų32.733%0.33217%0.169SC..THydrogen-bonded Turntrans-52.7-35.417764.8-23.6000113.4R106 I223 H224D72-R106 VanDerWaalsContact OD1-CD 3.27Å; D72-R106 WeakPolarHBondContact OD1-CD 3.28Å; D72-R106 IonicContact OD1-NH1 3.8Å; D72-R106 IonicContact OD2-CZ 3.29Å; D72-R106 IonicContact OD2-NH1 2.72Å; D72-R106 PolarHBondContact OD2-NH1 2.9Å; D72-I223 CarbonylContact O-C 3.51Å; D72-I223 VanDerWaalsContact O-CA 3.3Å; D72-I223 WeakPolarHBondContact O-CA 3.5Å; D72-I223 WeakPolarHBondContact O-CG2 3.35Å; D72-H224 PolarHBondContact O-N 3.35Å
73H98Very high96.6Very high8 Ų836.4 Ų36.44%0.03719%0.187CC..THydrogen-bonded Turntrans-106.40.3-173.767.6-63.5000114.6D71 I107 S140 G222D71-H73 PolarHBondContact O-N 3.17Å; D71-H73 VanDerWaalsContact O-N 3.16Å; D71-H73 IonicContact OD2-CE1 2.78Å; D71-H73 PolarHBondContact OD2-CE1 2.97Å; D71-H73 IonicContact OD2-ND1 3.56Å; H73-I107 PolarHBondContact NE2-O 2.87Å; H73-S140 WeakPolarHBondContact O-CA 3.08Å; H73-S140 WeakPolarHBondContact O-CB 3.3Å; H73-G222 WeakPolarHBondContact CA-O 3.31Å; H73-G222 WeakPolarHBondContact CB-O 3.3Å
74I98.7Very high96.9Very high0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-121.6116.6-176.1-58.4179.4000110.5I70 D71 I107 L109 L112 L138 G139I70-I74 HydrophobicContact CB-CB 4.41Å; I70-I74 HydrophobicContact CB-CG2 4.18Å; I70-I74 PolarHBondContact N-O 2.95Å; I70-I74 VanDerWaalsContact N-O 3.08Å; D71-I74 HydrophobicContact CB-CB 4.43Å; D71-I74 HydrophobicContact CB-CG1 4.47Å; D71-I74 PolarHBondContact O-N 3.47Å; I74-I107 HydrophobicContact CD1-CG2 3.93Å; I74-L109 HydrophobicContact CD1-CD1 4.02Å; I74-L109 HydrophobicContact CG1-CD1 4.1Å; I74-L109 HydrophobicContact CG2-CD1 3.72Å; I74-L112 HydrophobicContact CD1-CD2 3.63Å; I74-L112 HydrophobicContact CG2-CD2 4.01Å; I74-L138 HydrophobicContact CG2-CD2 4.19Å; I74-G139 WeakPolarHBondContact CA-O 3.12Å
75G98.6Very high97.1Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-89.6142165.800000111.4G139 H224G75-G139 PolarHBondContact N-O 3.15Å; G75-G139 PolarHBondContact O-N 2.84Å; G75-H224 VanDerWaalsContact CA-CD2 3.44Å; G75-H224 WeakPolarHBondContact CA-CD2 3.48Å; G75-H224 WeakPolarHBondContact CA-ND1 3.32Å
76M98.7Very high97.4Very high0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-135134.1176.4-178.4180176.700110.7I67 Y68 I70 V78 I88 V89 A92 L116 V136 L137 L138I67-M76 CarbonylContact C-O 3.59Å; I67-M76 WeakPolarHBondContact CA-O 3.21Å; Y68-M76 PolarHBondContact N-O 3.34Å; Y68-M76 PolarHBondContact O-N 3.1Å; I70-M76 HydrophobicContact CD1-CB 3.81Å; I70-M76 HydrophobicContact CD1-CG 4.26Å; I70-M76 HydrophobicContact CD1-SD 3.41Å; I70-M76 WeakPolarHBondContact CD1-SD 3.47Å; I70-M76 HydrophobicContact CG1-CB 3.33Å; I70-M76 HydrophobicContact CG1-CG 4.09Å; I70-M76 HydrophobicContact CG1-SD 3.61Å; M76-V78 HydrophobicContact CE-CG2 3.42Å; M76-V78 VanDerWaalsContact CE-CG2 3.42Å; M76-V78 HydrophobicContact CG-CG2 4.01Å; M76-V78 HydrophobicContact SD-CG2 4.24Å; M76-I88 HydrophobicContact CE-CB 4.22Å; M76-I88 HydrophobicContact CE-CG2 3.3Å; M76-V89 HydrophobicContact CE-CG2 4.25Å; M76-V89 HydrophobicContact SD-CG2 4.06Å; M76-A92 HydrophobicContact SD-CB 4.29Å; M76-L116 HydrophobicContact CE-CD2 4.19Å; M76-V136 HydrophobicContact CE-CB 4.13Å; M76-V136 HydrophobicContact CE-CG1 3.33Å; M76-V136 HydrophobicContact CE-CG2 3.63Å; M76-V136 HydrophobicContact CG-CG1 3.64Å; M76-V136 HydrophobicContact SD-CG1 4.13Å; M76-L137 CarbonylContact C-O 3.57Å; M76-L137 VanDerWaalsContact CA-O 3.26Å; M76-L137 WeakPolarHBondContact CA-O 3.1Å; M76-L138 HydrophobicContact CB-CD2 3.78Å; M76-L138 HydrophobicContact CG-CD2 3.7Å; M76-L138 HydrophobicContact SD-CD2 4.13Å
77V98.6Very high97.4Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-118137.2171.4-178.20000109.8A37 F48 V50 R66 I67 M79 V136 L137A37-V77 HydrophobicContact CB-CG1 3.64Å; F48-V77 HydrophobicContact CB-CG2 3.86Å; F48-V77 HydrophobicContact CD1-CB 4.37Å; F48-V77 HydrophobicContact CD1-CG2 3.43Å; F48-V77 VanDerWaalsContact CD1-CG2 3.43Å; F48-V77 HydrophobicContact CE1-CG2 4.09Å; F48-V77 HydrophobicContact CG-CG2 3.73Å; V50-V77 HydrophobicContact CG2-CG1 3.53Å; V50-V77 HydrophobicContact CG2-CG2 4.2Å; R66-V77 WeakPolarHBondContact O-CA 3.38Å; I67-V77 HydrophobicContact CB-CG2 4.45Å; I67-V77 HydrophobicContact CG1-CG2 3.98Å; I67-V77 HydrophobicContact CG2-CG2 4.37Å; V77-M79 HydrophobicContact CG1-SD 4.31Å; V77-V136 CarbonylContact O-C 3.49Å; V77-V136 WeakPolarHBondContact O-CA 3.41Å; V77-L137 HydrophobicContact CB-CB 4.21Å; V77-L137 HydrophobicContact CB-CD1 4.43Å; V77-L137 PolarHBondContact N-O 3.12Å; V77-L137 PolarHBondContact O-N 3.28Å
78V98.1Very high97.4Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-127.8121.6-178.6-1640000111.9R66 Y68 M76 A85 V89 V134 S135 V136R66-V78 PolarHBondContact O-N 3.25Å; R66-V78 VanDerWaalsContact O-N 3.12Å; Y68-V78 HydrophobicContact CD2-CG2 4.28Å; Y68-V78 HydrophobicContact CE2-CG2 4.31Å; M76-V78 HydrophobicContact CE-CG2 3.42Å; M76-V78 VanDerWaalsContact CE-CG2 3.42Å; M76-V78 HydrophobicContact CG-CG2 4.01Å; M76-V78 HydrophobicContact SD-CG2 4.24Å; V78-A85 HydrophobicContact CB-CB 3.77Å; V78-A85 HydrophobicContact CG1-CB 3.48Å; V78-A85 VanDerWaalsContact CG1-CB 3.48Å; V78-A85 HydrophobicContact CG2-CB 4.4Å; V78-V89 HydrophobicContact CG2-CG2 4.17Å; V78-V134 HydrophobicContact CG1-CB 3.61Å; V78-V134 HydrophobicContact CG1-CG1 3.77Å; V78-V134 HydrophobicContact CG1-CG2 4.03Å; V78-S135 WeakPolarHBondContact CA-O 3.48Å; V78-V136 HydrophobicContact CG1-CG2 4.36Å; V78-V136 HydrophobicContact CG2-CG2 4.48Å
79M97.9Very high97.4Very high0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-111.9149.6174-55.3-48.5-80.500111V31 G35 A37 V50 R66 V77 V134 S135 I165V31-M79 HydrophobicContact CG1-CB 4.12Å; G35-M79 WeakPolarHBondContact O-CE 3.34Å; A37-M79 HydrophobicContact CB-CE 4.32Å; A37-M79 HydrophobicContact CB-CG 3.53Å; A37-M79 HydrophobicContact CB-SD 3.67Å; V50-M79 HydrophobicContact CG1-CE 4.22Å; V50-M79 HydrophobicContact CG1-SD 4.09Å; R66-M79 HydrophobicContact CB-SD 4.4Å; R66-M79 WeakPolarHBondContact CD-SD 3.49Å; R66-M79 HydrophobicContact CG-SD 4.49Å; V77-M79 HydrophobicContact CG1-SD 4.31Å; M79-V134 CarbonylContact O-C 3.55Å; M79-V134 WeakPolarHBondContact O-CA 3.41Å; M79-V134 VanDerWaalsContact O-CB 3.3Å; M79-V134 WeakPolarHBondContact O-CB 3.25Å; M79-S135 PolarHBondContact N-O 2.95Å; M79-S135 PolarHBondContact O-N 3.11Å; M79-I165 HydrophobicContact CB-CD1 3.76Å; M79-I165 HydrophobicContact CB-CG1 4.04Å; M79-I165 HydrophobicContact CG-CD1 3.5Å; M79-I165 HydrophobicContact CG-CG1 3.58Å
80G97.2Very high97.4Very high3 Ų332.9 Ų32.93%0.03117%0.169CC..EExtended strand (participates in β ladder)trans109.7-152.2-16800000113.1S34 Q82 G133S34-G80 WeakPolarHBondContact OG-CA 3.4Å; S34-G80 PolarHBondContact OG-N 3.35Å; S34-G80 PolarHBondContact OG-O 3.49Å; G80-Q82 PolarHBondContact O-N 2.92Å; G80-G133 CarbonylContact C-O 3.48Å; G80-G133 VanDerWaalsContact CA-O 3.22Å; G80-G133 WeakPolarHBondContact CA-O 3.45Å
81F96.2Very high97.4Very high109 Ų10933.4 Ų33.448%0.47818%0.175SC..  trans-65.7121.7-177.9-70.5-39.3000112.6A30 T83 D84 A85 G133 V134A30-F81 HydrophobicContact CB-CD2 4.28Å; A30-F81 HydrophobicContact CB-CE1 4.32Å; A30-F81 HydrophobicContact CB-CE2 3.85Å; A30-F81 HydrophobicContact CB-CZ 3.86Å; F81-T83 VanDerWaalsContact C-N 3.26Å; F81-T83 PolarHBondContact O-N 2.92Å; F81-D84 HydrophobicContact CB-CB 4.16Å; F81-D84 WeakPolarHBondContact O-CB 2.88Å; F81-D84 PolarHBondContact O-N 2.73Å; F81-D84 VanDerWaalsContact O-N 3.12Å; F81-A85 PolarHBondContact O-N 3.16Å; F81-G133 PolarHBondContact N-O 3.29Å; F81-V134 VanDerWaalsContact O-CG1 3.3Å; F81-V134 WeakPolarHBondContact O-CG1 3.22Å
82Q93.2Very high97.5Very high58 Ų5832.4 Ų32.427%0.27117%0.169SC..Hα-helixtrans-64.2-27.8-177.6-68.1-59.4-57.700113.9G80 K86G80-Q82 PolarHBondContact O-N 2.92Å; Q82-K86 PolarHBondContact O-N 2.98Å
83T95Very high97.6Very high104 Ų10434.1 Ų34.164%0.63817%0.171SC*.Hα-helixtrans-68.8-40.8175500000111.6F81 K86F81-T83 VanDerWaalsContact C-N 3.26Å; F81-T83 PolarHBondContact O-N 2.92Å; T83-K86 PolarHBondContact O-N 2.87Å
84D97.7Very high97.6Very high9 Ų939.3 Ų39.35%0.04820%0.196CC..Hα-helixtrans-69.9-38.9177.1-69.813.8000110.2F81 K86 A87 I88 R130 F132 G133 V134F81-D84 HydrophobicContact CB-CB 4.16Å; F81-D84 WeakPolarHBondContact O-CB 2.88Å; F81-D84 PolarHBondContact O-N 2.73Å; F81-D84 VanDerWaalsContact O-N 3.12Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.49Å; D84-A87 WeakPolarHBondContact O-CB 3.12Å; D84-A87 PolarHBondContact O-N 2.94Å; D84-A87 VanDerWaalsContact O-N 3.08Å; D84-I88 WeakPolarHBondContact O-CG1 3.18Å; D84-I88 PolarHBondContact O-N 3.45Å; D84-R130 IonicContact OD1-CZ 2.99Å; D84-R130 IonicContact OD1-NH1 2.59Å; D84-R130 IonicContact OD1-NH2 2.87Å; D84-R130 PolarHBondContact OD1-NH2 2.98Å; D84-R130 IonicContact OD2-CZ 3.61Å; D84-R130 IonicContact OD2-NH1 3.63Å; D84-R130 PolarHBondContact OD2-NH1 2.9Å; D84-R130 IonicContact OD2-NH2 2.69Å; D84-R130 PolarHBondContact OD2-NH2 3.35Å; D84-F132 HydrophobicContact CB-CD1 4.04Å; D84-G133 PolarHBondContact OD2-N 3.22Å; D84-V134 HydrophobicContact CB-CG1 3.78Å; D84-V134 HydrophobicContact CB-CG2 4.42Å
85A97.2Very high97.6Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-54.7-44.8175.700000112.1V78 F81 A87 I88 V89 V134V78-A85 HydrophobicContact CB-CB 3.77Å; V78-A85 HydrophobicContact CG1-CB 3.48Å; V78-A85 VanDerWaalsContact CG1-CB 3.48Å; V78-A85 HydrophobicContact CG2-CB 4.4Å; F81-A85 PolarHBondContact O-N 3.16Å; A85-A87 VanDerWaalsContact C-N 3.32Å; A85-A87 PolarHBondContact O-N 2.97Å; A85-I88 PolarHBondContact O-N 2.88Å; A85-V89 WeakPolarHBondContact O-CB 2.92Å; A85-V89 VanDerWaalsContact O-CG2 3.23Å; A85-V89 WeakPolarHBondContact O-CG2 3.42Å; A85-V89 PolarHBondContact O-N 3.4Å; A85-V134 HydrophobicContact CB-CG1 4.34Å
86K96.6Very high97.6Very high147 Ų14741.4 Ų41.464%0.63921%0.205SC*.Hα-helixtrans-60.5-40.4177-71.5177.8-179.2-178.80112.7Q82 T83 D84 E90Q82-K86 PolarHBondContact O-N 2.98Å; T83-K86 PolarHBondContact O-N 2.87Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.49Å; K86-E90 PolarHBondContact O-N 3.11Å
87A97.4Very high97.5Very high43 Ų4343.2 Ų43.236%0.35522%0.221SC..Hα-helixtrans-65.7-43.7178.300000111.6D84 A85 E90 A91 F132D84-A87 WeakPolarHBondContact O-CB 3.12Å; D84-A87 PolarHBondContact O-N 2.94Å; D84-A87 VanDerWaalsContact O-N 3.08Å; A85-A87 VanDerWaalsContact C-N 3.32Å; A85-A87 PolarHBondContact O-N 2.97Å; A87-E90 PolarHBondContact O-N 2.96Å; A87-A91 WeakPolarHBondContact O-CB 3.4Å; A87-A91 PolarHBondContact O-N 2.79Å; A87-F132 HydrophobicContact CB-CE1 4.3Å
88I98.1Very high97.5Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-66.9-41.3177.5-61.5-54.2000111.4M76 D84 A85 E90 A91 A92 L116 Y119 M120 F132 V134 V136M76-I88 HydrophobicContact CE-CB 4.22Å; M76-I88 HydrophobicContact CE-CG2 3.3Å; D84-I88 WeakPolarHBondContact O-CG1 3.18Å; D84-I88 PolarHBondContact O-N 3.45Å; A85-I88 PolarHBondContact O-N 2.88Å; I88-E90 VanDerWaalsContact C-N 3.31Å; I88-E90 PolarHBondContact O-N 2.91Å; I88-A91 PolarHBondContact O-N 3.12Å; I88-A92 WeakPolarHBondContact O-CB 3.25Å; I88-A92 PolarHBondContact O-N 3.14Å; I88-L116 HydrophobicContact CG2-CD1 3.92Å; I88-L116 HydrophobicContact CG2-CD2 3.84Å; I88-L116 HydrophobicContact CG2-CG 4.12Å; I88-Y119 HydrophobicContact CD1-CD1 4.16Å; I88-Y119 HydrophobicContact CD1-CE1 4.02Å; I88-M120 HydrophobicContact CD1-CG 3.85Å; I88-M120 HydrophobicContact CD1-SD 4.32Å; I88-F132 HydrophobicContact CD1-CD1 3.78Å; I88-F132 HydrophobicContact CD1-CD2 3.78Å; I88-F132 HydrophobicContact CD1-CE1 3.7Å; I88-F132 HydrophobicContact CD1-CE2 3.67Å; I88-F132 HydrophobicContact CD1-CG 3.82Å; I88-F132 HydrophobicContact CD1-CZ 3.65Å; I88-F132 HydrophobicContact CG1-CD1 4.09Å; I88-F132 HydrophobicContact CG1-CE1 4.29Å; I88-F132 HydrophobicContact CG1-CG 4.33Å; I88-V134 HydrophobicContact CG1-CG2 3.95Å; I88-V136 HydrophobicContact CG2-CG2 3.94Å
89V98.3Very high97.5Very high4 Ų447.9 Ų47.92%0.02424%0.243CC..Hα-helixtrans-59.8-42.8176.41660000111.2Y68 I70 M76 V78 A85 A92 R93Y68-V89 HydrophobicContact CD1-CG1 3.97Å; Y68-V89 HydrophobicContact CD1-CG2 3.98Å; Y68-V89 HydrophobicContact CD2-CG2 3.6Å; Y68-V89 HydrophobicContact CE1-CG2 4.27Å; Y68-V89 HydrophobicContact CE2-CG2 3.94Å; Y68-V89 HydrophobicContact CG-CG1 4.14Å; Y68-V89 HydrophobicContact CG-CG2 3.62Å; I70-V89 HydrophobicContact CD1-CB 4.3Å; I70-V89 HydrophobicContact CD1-CG1 3.82Å; I70-V89 HydrophobicContact CD1-CG2 4.29Å; M76-V89 HydrophobicContact CE-CG2 4.25Å; M76-V89 HydrophobicContact SD-CG2 4.06Å; V78-V89 HydrophobicContact CG2-CG2 4.17Å; A85-V89 WeakPolarHBondContact O-CB 2.92Å; A85-V89 VanDerWaalsContact O-CG2 3.23Å; A85-V89 WeakPolarHBondContact O-CG2 3.42Å; A85-V89 PolarHBondContact O-N 3.4Å; V89-A92 PolarHBondContact O-N 2.93Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.93Å
90E98.2Very high97.5Very high111 Ų11152 Ų5252%0.51926%0.259SS..Hα-helixtrans-68.7-44.2178.4-168.162.9-172.400111.9K86 A87 I88 A92 R93 E94K86-E90 PolarHBondContact O-N 3.11Å; A87-E90 PolarHBondContact O-N 2.96Å; I88-E90 VanDerWaalsContact C-N 3.31Å; I88-E90 PolarHBondContact O-N 2.91Å; E90-A92 VanDerWaalsContact C-N 3.27Å; E90-A92 PolarHBondContact O-N 2.8Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-R93 VanDerWaalsContact O-N 3.17Å; E90-E94 WeakPolarHBondContact O-CB 3.23Å; E90-E94 PolarHBondContact O-N 3.13Å
91A98.3Very high97.6Very high22 Ų2258.1 Ų58.118%0.18229%0.291CS..Hα-helixtrans-57.9-41.1174.900000111.8A87 I88 E95 L116 Y119A87-A91 WeakPolarHBondContact O-CB 3.4Å; A87-A91 PolarHBondContact O-N 2.79Å; I88-A91 PolarHBondContact O-N 3.12Å; A91-E95 WeakPolarHBondContact O-CB 3.26Å; A91-E95 PolarHBondContact O-N 2.89Å; A91-L116 HydrophobicContact CB-CD1 4.28Å; A91-Y119 HydrophobicContact CB-CD1 4.39Å; A91-Y119 HydrophobicContact CB-CE1 4.12Å
92A98.7Very high97.6Very high0 Ų057.2 Ų57.20%030%0.298CS..Hα-helixtrans-66.7-39.8177.600000112.3I70 M76 I88 V89 E90 E95 C96 L112 L116I70-A92 HydrophobicContact CD1-CB 4.35Å; I70-A92 HydrophobicContact CG1-CB 4.45Å; I70-A92 HydrophobicContact CG2-CB 3.55Å; M76-A92 HydrophobicContact SD-CB 4.29Å; I88-A92 WeakPolarHBondContact O-CB 3.25Å; I88-A92 PolarHBondContact O-N 3.14Å; V89-A92 PolarHBondContact O-N 2.93Å; E90-A92 VanDerWaalsContact C-N 3.27Å; E90-A92 PolarHBondContact O-N 2.8Å; A92-E95 PolarHBondContact O-N 3.41Å; A92-C96 PolarHBondContact O-N 2.72Å; A92-C96 PolarHBondContact O-SG 3.27Å; A92-L112 HydrophobicContact CB-CD1 4.29Å; A92-L116 HydrophobicContact CB-CD1 4.18Å; A92-L116 HydrophobicContact CB-CD2 3.99Å
93R98.6Very high97.8Very high99 Ų9960.2 Ų60.237%0.37431%0.31SS..Hα-helixtrans-66.4-43.8176.1-76.9171.9174.5162.11.3112.3N69 I70 V89 E90 E95 C96 A97N69-R93 PolarHBondContact O-NE 3.49Å; N69-R93 VanDerWaalsContact O-NE 3.15Å; N69-R93 PolarHBondContact O-NH2 3.18Å; I70-R93 HydrophobicContact CD1-CG 4.39Å; I70-R93 HydrophobicContact CG2-CG 4.17Å; I70-R93 WeakPolarHBondContact O-CG 3.24Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.93Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-R93 VanDerWaalsContact O-N 3.17Å; R93-E95 VanDerWaalsContact C-N 3.28Å; R93-E95 PolarHBondContact O-N 3.17Å; R93-C96 PolarHBondContact O-N 2.88Å; R93-A97 PolarHBondContact O-N 3.34Å
94E98.5Very high97.9Very high117 Ų11758.7 Ų58.755%0.54732%0.315SS..Hα-helixtrans-59.7-43.2175.5-174.4179.6176.400110.3E90 A97 N98E90-E94 WeakPolarHBondContact O-CB 3.23Å; E90-E94 PolarHBondContact O-N 3.13Å; E94-A97 PolarHBondContact O-N 2.79Å; E94-N98 WeakPolarHBondContact O-CB 3.44Å; E94-N98 PolarHBondContact O-N 2.92Å; E94-N98 PolarHBondContact O-ND2 3.22Å
95E98.4Very high97.9Very high42 Ų4260.9 Ų60.920%0.19633%0.331CS..Hα-helixtrans-61.6-45.4177.1-172.949.5-127.200112.4A91 A92 R93 A97 N98 Y99 I107 L112 R115A91-E95 WeakPolarHBondContact O-CB 3.26Å; A91-E95 PolarHBondContact O-N 2.89Å; A92-E95 PolarHBondContact O-N 3.41Å; R93-E95 VanDerWaalsContact C-N 3.28Å; R93-E95 PolarHBondContact O-N 3.17Å; E95-A97 VanDerWaalsContact C-N 3.34Å; E95-A97 PolarHBondContact O-N 3.27Å; E95-N98 PolarHBondContact O-N 3.07Å; E95-Y99 WeakPolarHBondContact O-CB 3.29Å; E95-Y99 PolarHBondContact O-N 3.03Å; E95-I107 HydrophobicContact CG-CD1 4.23Å; E95-L112 HydrophobicContact CB-CD1 4.02Å; E95-L112 HydrophobicContact CG-CD1 3.93Å; E95-R115 HydrophobicContact CG-CB 4.07Å; E95-R115 WeakPolarHBondContact OE1-CD 3.39Å; E95-R115 IonicContact OE1-CZ 2.69Å; E95-R115 IonicContact OE1-NE 2.71Å; E95-R115 IonicContact OE1-NH1 3.17Å; E95-R115 PolarHBondContact OE1-NH1 2.85Å
96C98.3Very high97.8Very high1 Ų167 Ų671%0.00735%0.354CS..Hα-helixtrans-58.6-43.7173.3-68.50000112.4D71 A92 R93 R100 I107D71-C96 HydrophobicContact CB-CB 4.34Å; A92-C96 PolarHBondContact O-N 2.72Å; A92-C96 PolarHBondContact O-SG 3.27Å; R93-C96 PolarHBondContact O-N 2.88Å; C96-R100 WeakPolarHBondContact O-CB 3.15Å; C96-R100 PolarHBondContact O-N 3.25Å; C96-I107 HydrophobicContact CB-CG2 4.11Å; C96-I107 WeakPolarHBondContact SG-CG2 3.41Å
97A98.2Very high97.9Very high39 Ų3960 Ų6032%0.32232%0.324SS..Hα-helixtrans-65.5-44.6178.400000111.7R93 E94 E95 Y99 R100 N101R93-A97 PolarHBondContact O-N 3.34Å; E94-A97 PolarHBondContact O-N 2.79Å; E95-A97 VanDerWaalsContact C-N 3.34Å; E95-A97 PolarHBondContact O-N 3.27Å; A97-Y99 PolarHBondContact O-N 3.3Å; A97-R100 PolarHBondContact O-N 3.08Å; A97-N101 WeakPolarHBondContact O-CB 3.34Å; A97-N101 PolarHBondContact O-N 2.69Å; A97-N101 PolarHBondContact O-ND2 2.73Å
98N98.1Very high97.9Very high66 Ų6660 Ų6035%0.35332%0.32SS..Hα-helixtrans-62.4-43177.9-73.5-20.4000111.8E94 E95 N101 S102E94-N98 WeakPolarHBondContact O-CB 3.44Å; E94-N98 PolarHBondContact O-N 2.92Å; E94-N98 PolarHBondContact O-ND2 3.22Å; E95-N98 PolarHBondContact O-N 3.07Å; N98-N101 PolarHBondContact O-N 3.31Å; N98-S102 WeakPolarHBondContact O-CB 3.43Å; N98-S102 PolarHBondContact O-N 3.28Å; N98-S102 PolarHBondContact O-OG 2.71Å
99Y98.4Very high98Very high32 Ų3260 Ų6013%0.12532%0.32CS..Hα-helixtrans-61.2-47.8175.3-168.9-79.6000111.3E95 A97 N101 S102 F103 I107 P108E95-Y99 WeakPolarHBondContact O-CB 3.29Å; E95-Y99 PolarHBondContact O-N 3.03Å; A97-Y99 PolarHBondContact O-N 3.3Å; Y99-N101 VanDerWaalsContact C-N 3.34Å; Y99-N101 PolarHBondContact O-N 3.47Å; Y99-S102 PolarHBondContact O-N 2.87Å; Y99-S102 VanDerWaalsContact O-N 3.16Å; Y99-F103 HydrophobicContact CD1-CB 4.29Å; Y99-F103 AromaticContact CD1-CD2 3.83Å; Y99-F103 HydrophobicContact CD1-CD2 3.83Å; Y99-F103 HydrophobicContact CD1-CG 4.49Å; Y99-F103 AromaticContact CD2-CD2 3.6Å; Y99-F103 HydrophobicContact CD2-CD2 3.6Å; Y99-F103 AromaticContact CD2-CE2 3.77Å; Y99-F103 HydrophobicContact CD2-CE2 3.77Å; Y99-F103 HydrophobicContact CE1-CB 3.97Å; Y99-F103 AromaticContact CE1-CD2 3.82Å; Y99-F103 HydrophobicContact CE1-CD2 3.82Å; Y99-F103 HydrophobicContact CE1-CG 4.19Å; Y99-F103 AromaticContact CE2-CD2 3.59Å; Y99-F103 HydrophobicContact CE2-CD2 3.59Å; Y99-F103 AromaticContact CE2-CE2 3.77Å; Y99-F103 HydrophobicContact CE2-CE2 3.77Å; Y99-F103 HydrophobicContact CE2-CG 4.47Å; Y99-F103 AromaticContact CG-CD2 3.72Å; Y99-F103 HydrophobicContact CG-CD2 3.72Å; Y99-F103 HydrophobicContact CG-CE2 4.29Å; Y99-F103 AromaticContact CZ-CD2 3.7Å; Y99-F103 WeakPolarHBondContact O-CD2 3.39Å; Y99-F103 PolarHBondContact O-N 2.83Å; Y99-I107 HydrophobicContact CD1-CB 3.66Å; Y99-I107 HydrophobicContact CD1-CG1 4.07Å; Y99-I107 HydrophobicContact CD2-CB 4.11Å; Y99-I107 HydrophobicContact CD2-CD1 3.64Å; Y99-I107 HydrophobicContact CD2-CG1 3.59Å; Y99-I107 HydrophobicContact CE1-CB 4.22Å; Y99-I107 HydrophobicContact CE1-CG1 4.42Å; Y99-I107 HydrophobicContact CE2-CD1 4.4Å; Y99-I107 HydrophobicContact CE2-CG1 3.98Å; Y99-I107 HydrophobicContact CG-CB 3.61Å; Y99-I107 HydrophobicContact CG-CD1 3.83Å; Y99-I107 HydrophobicContact CG-CG1 3.64Å; Y99-P108 WeakPolarHBondContact OH-CD 3.31Å
100R97.5Very high98Very high87 Ų8766.4 Ų66.433%0.32835%0.345SS..Hα-helixtrans-59.8-43.1177.2-177.7-179-69.8111.4-3.5112.3D71 C96 A97 S102 G104 S105D71-R100 IonicContact OD1-CZ 2.71Å; D71-R100 IonicContact OD1-NH1 2.61Å; D71-R100 IonicContact OD1-NH2 3.53Å; D71-R100 PolarHBondContact OD1-NH2 2.72Å; D71-R100 IonicContact OD2-CZ 3.57Å; D71-R100 IonicContact OD2-NH1 3.57Å; D71-R100 PolarHBondContact OD2-NH1 3.44Å; D71-R100 IonicContact OD2-NH2 3.46Å; D71-R100 PolarHBondContact OD2-NH2 2.95Å; C96-R100 WeakPolarHBondContact O-CB 3.15Å; C96-R100 PolarHBondContact O-N 3.25Å; A97-R100 PolarHBondContact O-N 3.08Å; R100-S102 VanDerWaalsContact C-N 3.29Å; R100-S102 PolarHBondContact O-N 3.07Å; R100-G104 WeakPolarHBondContact O-CA 3.21Å; R100-G104 PolarHBondContact O-N 2.78Å; R100-S105 WeakPolarHBondContact CA-O 3.27Å
101N97.9Very high97.9Very high130 Ų13062.7 Ų62.770%0.69533%0.331SS*.Hα-helixtrans-64.2-35.3177.5-70.1-21.8000112.4A97 N98 Y99A97-N101 WeakPolarHBondContact O-CB 3.34Å; A97-N101 PolarHBondContact O-N 2.69Å; A97-N101 PolarHBondContact O-ND2 2.73Å; N98-N101 PolarHBondContact O-N 3.31Å; Y99-N101 VanDerWaalsContact C-N 3.34Å; Y99-N101 PolarHBondContact O-N 3.47Å
102S97.9Very high98Very high90 Ų9061.7 Ų61.763%0.62932%0.322SS*.Hα-helixtrans-83.7-38.7-175.9-54.20000113.2N98 Y99 R100N98-S102 WeakPolarHBondContact O-CB 3.43Å; N98-S102 PolarHBondContact O-N 3.28Å; N98-S102 PolarHBondContact O-OG 2.71Å; Y99-S102 PolarHBondContact O-N 2.87Å; Y99-S102 VanDerWaalsContact O-N 3.16Å; R100-S102 VanDerWaalsContact C-N 3.29Å; R100-S102 PolarHBondContact O-N 3.07Å
103F97.5Very high98Very high122 Ų12261.7 Ų61.754%0.53532%0.322SS..Hα-helixtrans-114.2-7.5-170.5-58.6-71.4000113.9Y99 S105Y99-F103 HydrophobicContact CD1-CB 4.29Å; Y99-F103 AromaticContact CD1-CD2 3.83Å; Y99-F103 HydrophobicContact CD1-CD2 3.83Å; Y99-F103 HydrophobicContact CD1-CG 4.49Å; Y99-F103 AromaticContact CD2-CD2 3.6Å; Y99-F103 HydrophobicContact CD2-CD2 3.6Å; Y99-F103 AromaticContact CD2-CE2 3.77Å; Y99-F103 HydrophobicContact CD2-CE2 3.77Å; Y99-F103 HydrophobicContact CE1-CB 3.97Å; Y99-F103 AromaticContact CE1-CD2 3.82Å; Y99-F103 HydrophobicContact CE1-CD2 3.82Å; Y99-F103 HydrophobicContact CE1-CG 4.19Å; Y99-F103 AromaticContact CE2-CD2 3.59Å; Y99-F103 HydrophobicContact CE2-CD2 3.59Å; Y99-F103 AromaticContact CE2-CE2 3.77Å; Y99-F103 HydrophobicContact CE2-CE2 3.77Å; Y99-F103 HydrophobicContact CE2-CG 4.47Å; Y99-F103 AromaticContact CG-CD2 3.72Å; Y99-F103 HydrophobicContact CG-CD2 3.72Å; Y99-F103 HydrophobicContact CG-CE2 4.29Å; Y99-F103 AromaticContact CZ-CD2 3.7Å; Y99-F103 WeakPolarHBondContact O-CD2 3.39Å; Y99-F103 PolarHBondContact O-N 2.83Å; F103-S105 PolarHBondContact O-N 2.87Å
104G97.1Very high97.9Very high71 Ų7160.2 Ų60.273%0.73232%0.32SS*.SBendtrans69.314.6178.700000114.5R100R100-G104 WeakPolarHBondContact O-CA 3.21Å; R100-G104 PolarHBondContact O-N 2.78Å
105S96.5Very high97.9Very high55 Ų5559.6 Ų59.639%0.38531%0.312SS..SBendtrans-138164.2-176.662.10000111.8R100 F103R100-S105 WeakPolarHBondContact CA-O 3.27Å; F103-S105 PolarHBondContact O-N 2.87Å
106R96.3Very high97.9Very high129 Ų12957.8 Ų57.849%0.48730%0.304SS..PPolyproline II helixtrans-64.5141.4171.5-71-175-75.3-171.36.6109.6D72D72-R106 VanDerWaalsContact OD1-CD 3.27Å; D72-R106 WeakPolarHBondContact OD1-CD 3.28Å; D72-R106 IonicContact OD1-NH1 3.8Å; D72-R106 IonicContact OD2-CZ 3.29Å; D72-R106 IonicContact OD2-NH1 2.72Å; D72-R106 PolarHBondContact OD2-NH1 2.9Å
107I98.2Very high98Very high1 Ų157.9 Ų57.91%0.00531%0.305CS..PPolyproline II helixtrans-70.9128.9179.3-172.3166.7000110H73 I74 E95 C96 Y99 L112H73-I107 PolarHBondContact NE2-O 2.87Å; I74-I107 HydrophobicContact CD1-CG2 3.93Å; E95-I107 HydrophobicContact CG-CD1 4.23Å; C96-I107 HydrophobicContact CB-CG2 4.11Å; C96-I107 WeakPolarHBondContact SG-CG2 3.41Å; Y99-I107 HydrophobicContact CD1-CB 3.66Å; Y99-I107 HydrophobicContact CD1-CG1 4.07Å; Y99-I107 HydrophobicContact CD2-CB 4.11Å; Y99-I107 HydrophobicContact CD2-CD1 3.64Å; Y99-I107 HydrophobicContact CD2-CG1 3.59Å; Y99-I107 HydrophobicContact CE1-CB 4.22Å; Y99-I107 HydrophobicContact CE1-CG1 4.42Å; Y99-I107 HydrophobicContact CE2-CD1 4.4Å; Y99-I107 HydrophobicContact CE2-CG1 3.98Å; Y99-I107 HydrophobicContact CG-CB 3.61Å; Y99-I107 HydrophobicContact CG-CD1 3.83Å; Y99-I107 HydrophobicContact CG-CG1 3.64Å; I107-L112 HydrophobicContact CD1-CB 3.88Å; I107-L112 HydrophobicContact CD1-CD1 4.42Å; I107-L112 HydrophobicContact CG1-CB 4.24Å; I107-L112 HydrophobicContact CG2-CB 4.31Å
108P97.9Very high98Very high41 Ų4161.1 Ų61.127%0.26632%0.315SS..PPolyproline II helixtrans-61.9141.9169.5-22.533.8000110.8Y99 Y110 S111 L112Y99-P108 WeakPolarHBondContact OH-CD 3.31Å; P108-Y110 PolarHBondContact O-N 3.17Å; P108-S111 WeakPolarHBondContact O-CB 3.46Å; P108-S111 PolarHBondContact O-N 3.29Å; P108-L112 PolarHBondContact O-N 2.93Å; P108-L112 VanDerWaalsContact O-N 3.13Å
109L98.5Very high98Very high0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-58.1-38.5-175.6-171.168.4000112.4I74 S111 L112 T113 L138 S140 E142 H147 F149I74-L109 HydrophobicContact CD1-CD1 4.02Å; I74-L109 HydrophobicContact CG1-CD1 4.1Å; I74-L109 HydrophobicContact CG2-CD1 3.72Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3Å; L109-L112 PolarHBondContact O-N 2.91Å; L109-T113 WeakPolarHBondContact O-CB 3.38Å; L109-T113 PolarHBondContact O-N 3.49Å; L109-T113 PolarHBondContact O-OG1 3.09Å; L109-L138 HydrophobicContact CD1-CB 3.95Å; L109-S140 WeakPolarHBondContact CB-OG 3.23Å; L109-S140 WeakPolarHBondContact CD2-OG 3.31Å; L109-E142 VanDerWaalsContact CB-OE1 3.24Å; L109-E142 WeakPolarHBondContact CB-OE1 3.44Å; L109-E142 PolarHBondContact N-OE1 3.14Å; L109-H147 HydrophobicContact CD2-CB 3.66Å; L109-H147 VanDerWaalsContact CD2-O 3.31Å; L109-H147 WeakPolarHBondContact CD2-O 3.42Å; L109-F149 HydrophobicContact CD2-CD2 3.69Å; L109-F149 HydrophobicContact CD2-CE2 4.22Å; L109-F149 HydrophobicContact CG-CD2 4.04Å; L109-F149 HydrophobicContact CG-CE2 4.48Å
110Y98.1Very high98Very high140 Ų14061.1 Ų61.155%0.54931%0.31SS..Hα-helixtrans-56.3-46.7174.2176.7-96.1000111.7P108 L112 T113 E114 F149P108-Y110 PolarHBondContact O-N 3.17Å; Y110-L112 PolarHBondContact O-N 2.87Å; Y110-T113 PolarHBondContact O-N 2.84Å; Y110-E114 HydrophobicContact CD1-CG 4.44Å; Y110-E114 HydrophobicContact CE1-CG 3.96Å; Y110-E114 HydrophobicContact CE2-CG 4.11Å; Y110-E114 WeakPolarHBondContact O-CG 3.36Å; Y110-E114 PolarHBondContact O-N 3.01Å; Y110-F149 HydrophobicContact CD2-CE1 4.12Å; Y110-F149 AromaticContact CD2-CZ 3.95Å; Y110-F149 HydrophobicContact CD2-CZ 3.95Å
111S98Very high98Very high33 Ų3360.1 Ų60.123%0.23131%0.309CS..Hα-helixtrans-64.9-41180-64.80000112.2P108 L109 R115P108-S111 WeakPolarHBondContact O-CB 3.46Å; P108-S111 PolarHBondContact O-N 3.29Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3Å; S111-R115 VanDerWaalsContact O-CG 3.31Å; S111-R115 WeakPolarHBondContact O-CG 3.27Å; S111-R115 PolarHBondContact O-N 3.05Å
112L98.6Very high98Very high0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-63-46.2174.3176.564.3000110.8I70 I74 A92 E95 I107 P108 L109 Y110 E114 R115 L116 L138I70-L112 HydrophobicContact CG2-CD2 4.17Å; I74-L112 HydrophobicContact CD1-CD2 3.63Å; I74-L112 HydrophobicContact CG2-CD2 4.01Å; A92-L112 HydrophobicContact CB-CD1 4.29Å; E95-L112 HydrophobicContact CB-CD1 4.02Å; E95-L112 HydrophobicContact CG-CD1 3.93Å; I107-L112 HydrophobicContact CD1-CB 3.88Å; I107-L112 HydrophobicContact CD1-CD1 4.42Å; I107-L112 HydrophobicContact CG1-CB 4.24Å; I107-L112 HydrophobicContact CG2-CB 4.31Å; P108-L112 PolarHBondContact O-N 2.93Å; P108-L112 VanDerWaalsContact O-N 3.13Å; L109-L112 PolarHBondContact O-N 2.91Å; Y110-L112 PolarHBondContact O-N 2.87Å; L112-E114 PolarHBondContact O-N 2.99Å; L112-R115 PolarHBondContact O-N 2.97Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 PolarHBondContact O-N 2.87Å; L112-L138 HydrophobicContact CD2-CD2 4.35Å
113T98.6Very high98Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-57.9-50.8-177.8-59.40000110.6L109 Y110 R115 L116 A117 L138 F149 I151L109-T113 WeakPolarHBondContact O-CB 3.38Å; L109-T113 PolarHBondContact O-N 3.49Å; L109-T113 PolarHBondContact O-OG1 3.09Å; Y110-T113 PolarHBondContact O-N 2.84Å; T113-R115 PolarHBondContact O-N 3.13Å; T113-L116 PolarHBondContact O-N 2.97Å; T113-A117 WeakPolarHBondContact O-CB 3.24Å; T113-A117 PolarHBondContact O-N 2.99Å; T113-L138 HydrophobicContact CG2-CD1 4.47Å; T113-L138 WeakPolarHBondContact OG1-CD1 3.49Å; T113-F149 HydrophobicContact CG2-CB 3.77Å; T113-F149 HydrophobicContact CG2-CD1 3.79Å; T113-F149 HydrophobicContact CG2-CG 3.91Å; T113-I151 HydrophobicContact CG2-CD1 4.06Å; T113-I151 HydrophobicContact CG2-CG1 3.94Å
114E98.3Very high98Very high69 Ų6947.6 Ų47.632%0.32224%0.244SC..Hα-helixtrans-62.4-41.7-179.7-71.5-62.5103.100112.5Y110 L112 M118 S157Y110-E114 HydrophobicContact CD1-CG 4.44Å; Y110-E114 HydrophobicContact CE1-CG 3.96Å; Y110-E114 HydrophobicContact CE2-CG 4.11Å; Y110-E114 WeakPolarHBondContact O-CG 3.36Å; Y110-E114 PolarHBondContact O-N 3.01Å; L112-E114 PolarHBondContact O-N 2.99Å; E114-M118 WeakPolarHBondContact O-CB 3.4Å; E114-M118 WeakPolarHBondContact O-CG 3.4Å; E114-M118 PolarHBondContact O-N 3.08Å; E114-S157 PolarHBondContact OE1-OG 2.96Å
115R98.3Very high97.9Very high104 Ų10448.1 Ų48.139%0.39223%0.23SC..Hα-helixtrans-66.7-42.5179.1-70.3-177.5-171.5-1650.4111.8E95 S111 L112 T113 M118 Y119E95-R115 HydrophobicContact CG-CB 4.07Å; E95-R115 WeakPolarHBondContact OE1-CD 3.39Å; E95-R115 IonicContact OE1-CZ 2.69Å; E95-R115 IonicContact OE1-NE 2.71Å; E95-R115 IonicContact OE1-NH1 3.17Å; E95-R115 PolarHBondContact OE1-NH1 2.85Å; S111-R115 VanDerWaalsContact O-CG 3.31Å; S111-R115 WeakPolarHBondContact O-CG 3.27Å; S111-R115 PolarHBondContact O-N 3.05Å; L112-R115 PolarHBondContact O-N 2.97Å; T113-R115 PolarHBondContact O-N 3.13Å; R115-M118 PolarHBondContact O-N 2.66Å; R115-Y119 PolarHBondContact O-N 3.06Å
116L98.4Very high97.9Very high4 Ų452.4 Ų52.42%0.02124%0.239CC..Hα-helixtrans-70.3-40.2178.9-165.963.8000111.8M76 I88 A91 A92 L112 T113 M118 Y119 M120 L138 I151M76-L116 HydrophobicContact CE-CD2 4.19Å; I88-L116 HydrophobicContact CG2-CD1 3.92Å; I88-L116 HydrophobicContact CG2-CD2 3.84Å; I88-L116 HydrophobicContact CG2-CG 4.12Å; A91-L116 HydrophobicContact CB-CD1 4.28Å; A92-L116 HydrophobicContact CB-CD1 4.18Å; A92-L116 HydrophobicContact CB-CD2 3.99Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 PolarHBondContact O-N 2.87Å; T113-L116 PolarHBondContact O-N 2.97Å; L116-M118 VanDerWaalsContact C-N 3.35Å; L116-M118 PolarHBondContact O-N 3.39Å; L116-Y119 WeakPolarHBondContact O-CB 3.25Å; L116-Y119 PolarHBondContact O-N 3.43Å; L116-M120 WeakPolarHBondContact O-CG 3.24Å; L116-M120 PolarHBondContact O-N 3.08Å; L116-L138 HydrophobicContact CD2-CD1 4.43Å; L116-I151 HydrophobicContact CB-CD1 3.91Å; L116-I151 HydrophobicContact CD2-CD1 3.96Å; L116-I151 HydrophobicContact CG-CD1 4.1Å
117A98.6Very high97.9Very high3 Ų350.3 Ų50.33%0.02524%0.244CC..Hα-helixtrans-60.3-44.6174.700000111.3T113 Y119 M120 H121 I151 G155T113-A117 WeakPolarHBondContact O-CB 3.24Å; T113-A117 PolarHBondContact O-N 2.99Å; A117-Y119 PolarHBondContact O-N 3.07Å; A117-M120 PolarHBondContact O-N 2.95Å; A117-H121 WeakPolarHBondContact O-CB 3.26Å; A117-H121 PolarHBondContact O-N 3.02Å; A117-I151 HydrophobicContact CB-CD1 4.26Å; A117-I151 HydrophobicContact CB-CG1 4.39Å; A117-I151 HydrophobicContact CB-CG2 3.99Å; A117-G155 WeakPolarHBondContact CB-O 3.43Å; A117-G155 WeakPolarHBondContact O-CA 3.46Å
118M98.4Very high97.8Very high107 Ų10754.8 Ų54.853%0.52728%0.281SS..Hα-helixtrans-65.3-36.9174.9-76.6-53.1-39.200113.3E114 R115 L116 H121 A122E114-M118 WeakPolarHBondContact O-CB 3.4Å; E114-M118 WeakPolarHBondContact O-CG 3.4Å; E114-M118 PolarHBondContact O-N 3.08Å; R115-M118 PolarHBondContact O-N 2.66Å; L116-M118 VanDerWaalsContact C-N 3.35Å; L116-M118 PolarHBondContact O-N 3.39Å; M118-H121 HydrophobicContact CE-CB 4.25Å; M118-H121 PolarHBondContact O-N 3.21Å; M118-A122 PolarHBondContact O-N 2.78Å
119Y98.3Very high97.7Very high98 Ų9855.8 Ų55.838%0.38429%0.286SS..Hα-helixtrans-62.4-42.6173.6177.2-101.8000112I88 A91 R115 L116 A117 H123 F132I88-Y119 HydrophobicContact CD1-CD1 4.16Å; I88-Y119 HydrophobicContact CD1-CE1 4.02Å; A91-Y119 HydrophobicContact CB-CD1 4.39Å; A91-Y119 HydrophobicContact CB-CE1 4.12Å; R115-Y119 PolarHBondContact O-N 3.06Å; L116-Y119 WeakPolarHBondContact O-CB 3.25Å; L116-Y119 PolarHBondContact O-N 3.43Å; A117-Y119 PolarHBondContact O-N 3.07Å; Y119-H123 AromaticContact CE2-CE1 3.88Å; Y119-H123 AromaticContact CZ-CE1 3.67Å; Y119-H123 PolarHBondContact O-ND1 3.31Å; Y119-F132 HydrophobicContact CD1-CE2 4.13Å; Y119-F132 HydrophobicContact CD1-CZ 4.44Å; Y119-F132 AromaticContact CE1-CE2 3.71Å; Y119-F132 HydrophobicContact CE1-CE2 3.71Å; Y119-F132 AromaticContact CE1-CZ 3.6Å; Y119-F132 HydrophobicContact CE1-CZ 3.6Å
120M98.3Very high97.7Very high0 Ų061.7 Ų61.70%031%0.308CS..Hα-helixtrans-66.4-43.8174.3-70.3179.263.600111.7I88 L116 A117 A122 H123 F132 V134 V136 I151 E152I88-M120 HydrophobicContact CD1-CG 3.85Å; I88-M120 HydrophobicContact CD1-SD 4.32Å; L116-M120 WeakPolarHBondContact O-CG 3.24Å; L116-M120 PolarHBondContact O-N 3.08Å; A117-M120 PolarHBondContact O-N 2.95Å; M120-A122 VanDerWaalsContact C-N 3.3Å; M120-A122 PolarHBondContact O-N 2.93Å; M120-H123 WeakPolarHBondContact O-CB 3.46Å; M120-H123 PolarHBondContact O-N 3.43Å; M120-F132 HydrophobicContact CB-CD2 4.37Å; M120-F132 HydrophobicContact CE-CB 4.33Å; M120-F132 HydrophobicContact CG-CD2 4Å; M120-F132 HydrophobicContact CG-CE2 4.49Å; M120-V134 HydrophobicContact CE-CG2 4.35Å; M120-V136 HydrophobicContact SD-CG2 4.36Å; M120-I151 HydrophobicContact CE-CG2 4.19Å; M120-I151 HydrophobicContact SD-CB 4.38Å; M120-I151 HydrophobicContact SD-CG2 3.59Å; M120-I151 VanDerWaalsContact SD-CG2 3.59Å; M120-E152 WeakPolarHBondContact CE-O 2.87Å
121H98.3Very high97.6Very high65 Ų6555.3 Ų55.330%0.30128%0.284SS..Hα-helixtrans-58.4-40.2176.6-177.859.4000112.3A117 M118 H123 T124 S154A117-H121 WeakPolarHBondContact O-CB 3.26Å; A117-H121 PolarHBondContact O-N 3.02Å; M118-H121 HydrophobicContact CE-CB 4.25Å; M118-H121 PolarHBondContact O-N 3.21Å; H121-H123 PolarHBondContact O-N 3.09Å; H121-H123 VanDerWaalsContact O-N 3.1Å; H121-T124 PolarHBondContact O-N 3.29Å; H121-T124 PolarHBondContact O-OG1 3.25Å; H121-S154 PolarHBondContact ND1-O 2.84Å
122A98Very high97.7Very high33 Ų3354.5 Ų54.527%0.27328%0.276SS..Hα-helixtrans-57.3-29.5177.400000112.8M118 M120 T124 L125 Y126M118-A122 PolarHBondContact O-N 2.78Å; M120-A122 VanDerWaalsContact C-N 3.3Å; M120-A122 PolarHBondContact O-N 2.93Å; A122-T124 PolarHBondContact O-N 3.09Å; A122-L125 PolarHBondContact O-N 3.32Å; A122-Y126 WeakPolarHBondContact O-CD2 3.43Å; A122-Y126 WeakPolarHBondContact O-CE2 3.39Å
123H97.5Very high97.6Very high38 Ų3854.6 Ų54.618%0.17628%0.277CS..THydrogen-bonded Turntrans-78-2.3177.3-71.972.8000114Y119 M120 H121 V129 R130 F132Y119-H123 AromaticContact CE2-CE1 3.88Å; Y119-H123 AromaticContact CZ-CE1 3.67Å; Y119-H123 PolarHBondContact O-ND1 3.31Å; M120-H123 WeakPolarHBondContact O-CB 3.46Å; M120-H123 PolarHBondContact O-N 3.43Å; H121-H123 PolarHBondContact O-N 3.09Å; H121-H123 VanDerWaalsContact O-N 3.1Å; H123-V129 HydrophobicContact CB-CG2 4.29Å; H123-R130 CarbonylContact O-C 3.49Å; H123-F132 HydrophobicContact CB-CD2 4.08Å; H123-F132 HydrophobicContact CB-CE2 4.03Å; H123-F132 AromaticContact CD2-CE2 3.71Å; H123-F132 AromaticContact CD2-CZ 3.94Å; H123-F132 AromaticContact CE1-CE2 3.6Å; H123-F132 AromaticContact CE1-CZ 3.83Å; H123-F132 AromaticContact CG-CD2 4Å; H123-F132 AromaticContact CG-CE2 3.44Å; H123-F132 VanDerWaalsContact CG-CE2 3.44Å; H123-F132 AromaticContact ND1-CE2 3.37Å; H123-F132 WeakPolarHBondContact ND1-CE2 3.39Å; H123-F132 AromaticContact NE2-CE2 3.83Å; H123-F132 AromaticContact NE2-CZ 3.77Å
124T97.5Very high97.6Very high9 Ų954.6 Ų54.66%0.05528%0.277CS..THydrogen-bonded Turntrans-99.9-2.2175.279.20000113I24 H121 A122 P131I24-T124 HydrophobicContact CD1-CG2 4.01Å; I24-T124 HydrophobicContact CG1-CG2 4.07Å; H121-T124 PolarHBondContact O-N 3.29Å; H121-T124 PolarHBondContact O-OG1 3.25Å; A122-T124 PolarHBondContact O-N 3.09Å; T124-P131 HydrophobicContact CG2-CB 4.27Å; T124-P131 HydrophobicContact CG2-CG 4.33Å
125L96.2Very high97.6Very high82 Ų8251.7 Ų51.743%0.42927%0.265SS..THydrogen-bonded Turntrans-102.2-30.6-171.5-60.2178.2000113.8S13 A122S13-L125 WeakPolarHBondContact CB-O 3.41Å; A122-L125 PolarHBondContact O-N 3.32Å
126Y95.7Very high97.7Very high144 Ų14446.8 Ų46.857%0.56525%0.246SC*.  trans-109.3138-169.6-50.2-71.8000111.7A122 A128 V129A122-Y126 WeakPolarHBondContact O-CD2 3.43Å; A122-Y126 WeakPolarHBondContact O-CE2 3.39Å; Y126-A128 PolarHBondContact O-N 2.59Å; Y126-V129 PolarHBondContact O-N 2.95Å
127S95.7Very high97.7Very high85 Ų8546.6 Ų46.659%0.59425%0.245SC*.THydrogen-bonded Turntrans-68.4-16.7177620000114.3T11 V129T11-S127 VanDerWaalsContact OG1-CA 3.23Å; T11-S127 WeakPolarHBondContact OG1-CA 3.28Å; T11-S127 WeakPolarHBondContact OG1-CB 3.38Å; S127-V129 VanDerWaalsContact C-N 3.32Å
128A96.8Very high97.7Very high95 Ų9546.4 Ų46.479%0.78524%0.244SC*.THydrogen-bonded Turntrans-79.1-16.3-177.500000113.4Y126Y126-A128 PolarHBondContact O-N 2.59Å
129V96.6Very high97.7Very high62 Ų6241.3 Ų41.338%0.37622%0.219SC..SBendtrans-127.1159.2179.2-61.50000109.5H123 Y126 S127H123-V129 HydrophobicContact CB-CG2 4.29Å; Y126-V129 PolarHBondContact O-N 2.95Å; S127-V129 VanDerWaalsContact C-N 3.32Å
130R96.4Very high97.7Very high125 Ų12536.7 Ų36.747%0.47220%0.2SC..PPolyproline II helixtrans-102.8151.8171.663.4167.5-176.677.8-1.8110.2D84 H123D84-R130 IonicContact OD1-CZ 2.99Å; D84-R130 IonicContact OD1-NH1 2.59Å; D84-R130 IonicContact OD1-NH2 2.87Å; D84-R130 PolarHBondContact OD1-NH2 2.98Å; D84-R130 IonicContact OD2-CZ 3.61Å; D84-R130 IonicContact OD2-NH1 3.63Å; D84-R130 PolarHBondContact OD2-NH1 2.9Å; D84-R130 IonicContact OD2-NH2 2.69Å; D84-R130 PolarHBondContact OD2-NH2 3.35Å; H123-R130 CarbonylContact O-C 3.49Å
131P97.9Very high97.7Very high5 Ų539.4 Ų39.43%0.03221%0.211CC..PPolyproline II helixtrans-55.7152.8167.1-24.934.6000112A12 Q23 I24 A27 T124A12-P131 HydrophobicContact CB-CG 4.09Å; Q23-P131 HydrophobicContact CB-CG 4.25Å; I24-P131 HydrophobicContact CG1-CG 4.41Å; A27-P131 HydrophobicContact CB-CB 4.13Å; T124-P131 HydrophobicContact CG2-CB 4.27Å; T124-P131 HydrophobicContact CG2-CG 4.33Å
132F98.4Very high97.7Very high17 Ų1738.5 Ų38.58%0.07521%0.207CC..PPolyproline II helixtrans-72.8130.9172.4-71.3-77.1000110.5D84 A87 I88 Y119 M120 H123 V134 P153D84-F132 HydrophobicContact CB-CD1 4.04Å; A87-F132 HydrophobicContact CB-CE1 4.3Å; I88-F132 HydrophobicContact CD1-CD1 3.78Å; I88-F132 HydrophobicContact CD1-CD2 3.78Å; I88-F132 HydrophobicContact CD1-CE1 3.7Å; I88-F132 HydrophobicContact CD1-CE2 3.67Å; I88-F132 HydrophobicContact CD1-CG 3.82Å; I88-F132 HydrophobicContact CD1-CZ 3.65Å; I88-F132 HydrophobicContact CG1-CD1 4.09Å; I88-F132 HydrophobicContact CG1-CE1 4.29Å; I88-F132 HydrophobicContact CG1-CG 4.33Å; Y119-F132 HydrophobicContact CD1-CE2 4.13Å; Y119-F132 HydrophobicContact CD1-CZ 4.44Å; Y119-F132 AromaticContact CE1-CE2 3.71Å; Y119-F132 HydrophobicContact CE1-CE2 3.71Å; Y119-F132 AromaticContact CE1-CZ 3.6Å; Y119-F132 HydrophobicContact CE1-CZ 3.6Å; M120-F132 HydrophobicContact CB-CD2 4.37Å; M120-F132 HydrophobicContact CE-CB 4.33Å; M120-F132 HydrophobicContact CG-CD2 4Å; M120-F132 HydrophobicContact CG-CE2 4.49Å; H123-F132 HydrophobicContact CB-CD2 4.08Å; H123-F132 HydrophobicContact CB-CE2 4.03Å; H123-F132 AromaticContact CD2-CE2 3.71Å; H123-F132 AromaticContact CD2-CZ 3.94Å; H123-F132 AromaticContact CE1-CE2 3.6Å; H123-F132 AromaticContact CE1-CZ 3.83Å; H123-F132 AromaticContact CG-CD2 4Å; H123-F132 AromaticContact CG-CE2 3.44Å; H123-F132 VanDerWaalsContact CG-CE2 3.44Å; H123-F132 AromaticContact ND1-CE2 3.37Å; H123-F132 WeakPolarHBondContact ND1-CE2 3.39Å; H123-F132 AromaticContact NE2-CE2 3.83Å; H123-F132 AromaticContact NE2-CZ 3.77Å; F132-V134 HydrophobicContact CB-CG2 4.06Å; F132-V134 PolarHBondContact O-N 3.13Å; F132-V134 VanDerWaalsContact O-N 3.09Å; F132-P153 WeakPolarHBondContact O-CB 3.36Å
133G98.1Very high97.5Very high2 Ų245.6 Ų45.62%0.02124%0.24CC..SBendtrans-8543.4177.400000112.6G80 F81 D84G80-G133 CarbonylContact C-O 3.48Å; G80-G133 VanDerWaalsContact CA-O 3.22Å; G80-G133 WeakPolarHBondContact CA-O 3.45Å; F81-G133 PolarHBondContact N-O 3.29Å; D84-G133 PolarHBondContact OD2-N 3.22Å
134V98.5Very high97.4Very high0 Ų049.6 Ų49.60%026%0.263CS..EExtended strand (participates in β ladder)trans-138.2149.8-177.4-64.70000113.5V78 M79 F81 D84 A85 I88 M120 F132 P153V78-V134 HydrophobicContact CG1-CB 3.61Å; V78-V134 HydrophobicContact CG1-CG1 3.77Å; V78-V134 HydrophobicContact CG1-CG2 4.03Å; M79-V134 CarbonylContact O-C 3.55Å; M79-V134 WeakPolarHBondContact O-CA 3.41Å; M79-V134 VanDerWaalsContact O-CB 3.3Å; M79-V134 WeakPolarHBondContact O-CB 3.25Å; F81-V134 VanDerWaalsContact O-CG1 3.3Å; F81-V134 WeakPolarHBondContact O-CG1 3.22Å; D84-V134 HydrophobicContact CB-CG1 3.78Å; D84-V134 HydrophobicContact CB-CG2 4.42Å; A85-V134 HydrophobicContact CB-CG1 4.34Å; I88-V134 HydrophobicContact CG1-CG2 3.95Å; M120-V134 HydrophobicContact CE-CG2 4.35Å; F132-V134 HydrophobicContact CB-CG2 4.06Å; F132-V134 PolarHBondContact O-N 3.13Å; F132-V134 VanDerWaalsContact O-N 3.09Å; V134-P153 WeakPolarHBondContact O-CD 3.4Å; V134-P153 WeakPolarHBondContact O-CG 3.29Å
135S98.6Very high97.4Very high8 Ų849.6 Ų49.66%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-111.5149.3160.8-62.10000109.7V78 M79 I151 P153V78-S135 WeakPolarHBondContact CA-O 3.48Å; M79-S135 PolarHBondContact N-O 2.95Å; M79-S135 PolarHBondContact O-N 3.11Å; S135-I151 WeakPolarHBondContact CA-O 3.31Å; S135-P153 WeakPolarHBondContact OG-CD 3.34Å
136V98.7Very high97.4Very high0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-122134.3-175.1-179.30000109.5M76 V77 V78 I88 M120 L138 V150 I151M76-V136 HydrophobicContact CE-CB 4.13Å; M76-V136 HydrophobicContact CE-CG1 3.33Å; M76-V136 HydrophobicContact CE-CG2 3.63Å; M76-V136 HydrophobicContact CG-CG1 3.64Å; M76-V136 HydrophobicContact SD-CG1 4.13Å; V77-V136 CarbonylContact O-C 3.49Å; V77-V136 WeakPolarHBondContact O-CA 3.41Å; V78-V136 HydrophobicContact CG1-CG2 4.36Å; V78-V136 HydrophobicContact CG2-CG2 4.48Å; I88-V136 HydrophobicContact CG2-CG2 3.94Å; M120-V136 HydrophobicContact SD-CG2 4.36Å; V136-L138 HydrophobicContact CG1-CD2 4.12Å; V136-L138 HydrophobicContact CG1-CG 3.85Å; V136-V150 CarbonylContact O-C 3.5Å; V136-V150 VanDerWaalsContact O-CA 3.24Å; V136-V150 WeakPolarHBondContact O-CA 3.47Å; V136-V150 WeakPolarHBondContact O-CG2 3.36Å; V136-I151 HydrophobicContact CB-CB 4.21Å; V136-I151 PolarHBondContact N-O 2.89Å; V136-I151 PolarHBondContact O-N 3.18Å
137L98.8Very high97.6Very high0 Ų041.6 Ų41.60%023%0.231CC..EExtended strand (participates in β ladder)trans-103.6135.5160.3-58.1168000108.3A37 A39 F48 M76 V77 F149 V150 C163 I165A37-L137 HydrophobicContact CB-CD1 4.29Å; A39-L137 HydrophobicContact CB-CB 4.39Å; A39-L137 HydrophobicContact CB-CD1 3.89Å; A39-L137 HydrophobicContact CB-CD2 4.5Å; A39-L137 HydrophobicContact CB-CG 4.49Å; F48-L137 HydrophobicContact CD1-CB 4.42Å; F48-L137 HydrophobicContact CE1-CB 3.92Å; M76-L137 CarbonylContact C-O 3.57Å; M76-L137 VanDerWaalsContact CA-O 3.26Å; M76-L137 WeakPolarHBondContact CA-O 3.1Å; V77-L137 HydrophobicContact CB-CB 4.21Å; V77-L137 HydrophobicContact CB-CD1 4.43Å; V77-L137 PolarHBondContact N-O 3.12Å; V77-L137 PolarHBondContact O-N 3.28Å; L137-F149 WeakPolarHBondContact CA-O 3.41Å; L137-V150 HydrophobicContact CD2-CB 4.09Å; L137-V150 HydrophobicContact CD2-CG2 3.93Å; L137-C163 HydrophobicContact CD2-CB 3.91Å; L137-I165 HydrophobicContact CD1-CD1 4.03Å; L137-I165 HydrophobicContact CD1-CG1 3.93Å; L137-I165 HydrophobicContact CD2-CD1 4.45Å; L137-I165 HydrophobicContact CD2-CG2 4.31Å; L137-I165 HydrophobicContact CG-CD1 3.73Å; L137-I165 HydrophobicContact CG-CG1 4.05Å
138L98.8Very high97.7Very high0 Ų037.7 Ų37.70%020%0.204CC..EExtended strand (participates in β ladder)trans-125.8137.1177.8-74.6174.1000109.4I74 M76 L109 L112 T113 L116 V136 L148 F149 I151I74-L138 HydrophobicContact CG2-CD2 4.19Å; M76-L138 HydrophobicContact CB-CD2 3.78Å; M76-L138 HydrophobicContact CG-CD2 3.7Å; M76-L138 HydrophobicContact SD-CD2 4.13Å; L109-L138 HydrophobicContact CD1-CB 3.95Å; L112-L138 HydrophobicContact CD2-CD2 4.35Å; T113-L138 HydrophobicContact CG2-CD1 4.47Å; T113-L138 WeakPolarHBondContact OG1-CD1 3.49Å; L116-L138 HydrophobicContact CD2-CD1 4.43Å; V136-L138 HydrophobicContact CG1-CD2 4.12Å; V136-L138 HydrophobicContact CG1-CG 3.85Å; L138-L148 WeakPolarHBondContact O-CA 3.43Å; L138-L148 WeakPolarHBondContact O-CD1 3.3Å; L138-F149 HydrophobicContact CB-CB 4.39Å; L138-F149 PolarHBondContact N-O 2.98Å; L138-F149 PolarHBondContact O-N 3.23Å; L138-I151 HydrophobicContact CD1-CD1 3.91Å
139G98.7Very high97.8Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans-148.8141.9-179.600000112.6I74 G75 H147I74-G139 WeakPolarHBondContact CA-O 3.12Å; G75-G139 PolarHBondContact N-O 3.15Å; G75-G139 PolarHBondContact O-N 2.84Å; G139-H147 VanDerWaalsContact CA-O 3.25Å; G139-H147 WeakPolarHBondContact CA-O 3.48Å
140S98.6Very high97.9Very high0 Ų031.3 Ų31.30%015%0.154CC..EExtended strand (participates in β ladder)trans-143.7167.117974.70000110.1H73 L109 E142 P146 H147H73-S140 WeakPolarHBondContact O-CA 3.08Å; H73-S140 WeakPolarHBondContact O-CB 3.3Å; L109-S140 WeakPolarHBondContact CB-OG 3.23Å; L109-S140 WeakPolarHBondContact CD2-OG 3.31Å; S140-E142 PolarHBondContact OG-OE1 3.35Å; S140-P146 WeakPolarHBondContact O-CA 3.2Å; S140-H147 PolarHBondContact N-O 2.89Å; S140-H147 VanDerWaalsContact N-O 3.07Å; S140-H147 PolarHBondContact O-N 2.83Å
141Y98.4Very high98Very high58 Ų5825.4 Ų25.423%0.22713%0.131CC..EExtended strand (participates in β ladder)trans-126.5110.8166-176.9-92.6000108.4D44 P146 A218D44-Y141 WeakPolarHBondContact O-CD2 3.48Å; D44-Y141 VanDerWaalsContact O-CE2 3.24Å; D44-Y141 WeakPolarHBondContact O-CE2 3.4Å; Y141-P146 HydrophobicContact CD2-CB 4.04Å; Y141-A218 HydrophobicContact CE1-CB 4.07Å; Y141-A218 HydrophobicContact CE2-CB 4.28Å
142E96.9Very high98Very high46 Ų4627.4 Ų27.422%0.21514%0.14CC..EExtended strand (participates in β ladder)trans-110-175.5-175.1-68.5177.2-150.300110.6L109 S140 D144 G145L109-E142 VanDerWaalsContact CB-OE1 3.24Å; L109-E142 WeakPolarHBondContact CB-OE1 3.44Å; L109-E142 PolarHBondContact N-OE1 3.14Å; S140-E142 PolarHBondContact OG-OE1 3.35Å; E142-D144 PolarHBondContact O-N 3.12Å; E142-G145 PolarHBondContact N-O 2.99Å; E142-G145 PolarHBondContact O-N 3.06Å
143N94.5Very high98Very high181 Ų18126.6 Ų26.697%0.96814%0.137SC*.THydrogen-bonded Turntrans-65-27.1-174.2-68.3-31.5000113.4
144D95.4Very high97.9Very high122 Ų12227.5 Ų27.565%0.65214%0.143SC*.THydrogen-bonded Turntrans-94-2.5178.962.1-28.9000113.3E142 H147E142-D144 PolarHBondContact O-N 3.12Å; D144-H147 IonicContact OD1-CD2 3.48Å; D144-H147 IonicContact OD1-CE1 3.73Å; D144-H147 IonicContact OD1-NE2 2.79Å; D144-H147 PolarHBondContact OD1-NE2 3.41Å; D144-H147 IonicContact OD2-CE1 3.22Å; D144-H147 PolarHBondContact OD2-CE1 3.02Å; D144-H147 VanDerWaalsContact OD2-CE1 3.22Å; D144-H147 IonicContact OD2-NE2 3.13Å; D144-H147 PolarHBondContact OD2-NE2 2.78Å; D144-H147 VanDerWaalsContact OD2-NE2 3.13Å
145G97Very high97.9Very high9 Ų928.1 Ų28.19%0.09315%0.149CC..EExtended strand (participates in β ladder)trans128.4-166.4173.500000114.1E142 H147E142-G145 PolarHBondContact N-O 2.99Å; E142-G145 PolarHBondContact O-N 3.06Å; G145-H147 PolarHBondContact O-CD2 3.25Å
146P98.1Very high97.9Very high11 Ų1131.6 Ų31.67%0.07117%0.167CC..EExtended strand (participates in β ladder)trans-73.4143.917629.5-30.6000110.7Q41 G42 K43 V46 S140 Y141Q41-P146 HydrophobicContact CG-CB 3.92Å; Q41-P146 HydrophobicContact CG-CG 3.83Å; Q41-P146 PolarHBondContact NE2-O 3.03Å; G42-P146 VanDerWaalsContact O-CG 3.27Å; G42-P146 WeakPolarHBondContact O-CG 3.37Å; K43-P146 WeakPolarHBondContact O-CD 3.19Å; K43-P146 WeakPolarHBondContact O-CG 3.34Å; V46-P146 HydrophobicContact CG2-CB 3.68Å; S140-P146 WeakPolarHBondContact O-CA 3.2Å; Y141-P146 HydrophobicContact CD2-CB 4.04Å
147H98.4Very high97.8Very high48 Ų4833 Ų3322%0.22218%0.176CC..EExtended strand (participates in β ladder)trans-129.9138.2174.1-66.6-81.9000110.1V46 L109 G139 S140 D144 G145 F149V46-H147 WeakPolarHBondContact CG2-O 3.5Å; L109-H147 HydrophobicContact CD2-CB 3.66Å; L109-H147 VanDerWaalsContact CD2-O 3.31Å; L109-H147 WeakPolarHBondContact CD2-O 3.42Å; G139-H147 VanDerWaalsContact CA-O 3.25Å; G139-H147 WeakPolarHBondContact CA-O 3.48Å; S140-H147 PolarHBondContact N-O 2.89Å; S140-H147 VanDerWaalsContact N-O 3.07Å; S140-H147 PolarHBondContact O-N 2.83Å; D144-H147 IonicContact OD1-CD2 3.48Å; D144-H147 IonicContact OD1-CE1 3.73Å; D144-H147 IonicContact OD1-NE2 2.79Å; D144-H147 PolarHBondContact OD1-NE2 3.41Å; D144-H147 IonicContact OD2-CE1 3.22Å; D144-H147 PolarHBondContact OD2-CE1 3.02Å; D144-H147 VanDerWaalsContact OD2-CE1 3.22Å; D144-H147 IonicContact OD2-NE2 3.13Å; D144-H147 PolarHBondContact OD2-NE2 2.78Å; D144-H147 VanDerWaalsContact OD2-NE2 3.13Å; G145-H147 PolarHBondContact O-CD2 3.25Å; H147-F149 HydrophobicContact CB-CE2 4.21Å
148L98.6Very high97.8Very high3 Ų338.2 Ų38.22%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-134.5126.3179.3167.861.6000110A39 Q41 V46 F48 L138 A159 Y160A39-L148 HydrophobicContact CB-CD1 3.41Å; A39-L148 VanDerWaalsContact CB-CD1 3.41Å; A39-L148 HydrophobicContact CB-CD2 3.76Å; A39-L148 HydrophobicContact CB-CG 4.25Å; A39-L148 WeakPolarHBondContact O-CD2 3.38Å; Q41-L148 HydrophobicContact CB-CB 4.24Å; Q41-L148 HydrophobicContact CB-CD2 4.32Å; V46-L148 HydrophobicContact CG1-CB 4.4Å; V46-L148 HydrophobicContact CG1-CD1 4.34Å; V46-L148 HydrophobicContact CG2-CB 4.46Å; F48-L148 HydrophobicContact CE1-CD1 4.44Å; L138-L148 WeakPolarHBondContact O-CA 3.43Å; L138-L148 WeakPolarHBondContact O-CD1 3.3Å; L148-A159 WeakPolarHBondContact O-CA 3.34Å; L148-Y160 WeakPolarHBondContact CB-O 3.32Å; L148-Y160 PolarHBondContact O-N 3.36Å
149F98.7Very high97.7Very high20 Ų2041.7 Ų41.79%0.08823%0.225CC..EExtended strand (participates in β ladder)trans-126.5153.3177.1-72-96.4000111.6L109 Y110 T113 L137 L138 H147 Y158 A159L109-F149 HydrophobicContact CD2-CD2 3.69Å; L109-F149 HydrophobicContact CD2-CE2 4.22Å; L109-F149 HydrophobicContact CG-CD2 4.04Å; L109-F149 HydrophobicContact CG-CE2 4.48Å; Y110-F149 HydrophobicContact CD2-CE1 4.12Å; Y110-F149 AromaticContact CD2-CZ 3.95Å; Y110-F149 HydrophobicContact CD2-CZ 3.95Å; T113-F149 HydrophobicContact CG2-CB 3.77Å; T113-F149 HydrophobicContact CG2-CD1 3.79Å; T113-F149 HydrophobicContact CG2-CG 3.91Å; L137-F149 WeakPolarHBondContact CA-O 3.41Å; L138-F149 HydrophobicContact CB-CB 4.39Å; L138-F149 PolarHBondContact N-O 2.98Å; L138-F149 PolarHBondContact O-N 3.23Å; H147-F149 HydrophobicContact CB-CE2 4.21Å; F149-Y158 VanDerWaalsContact CA-O 3.28Å; F149-Y158 WeakPolarHBondContact CA-O 3.45Å; F149-A159 HydrophobicContact CD1-CB 4.06Å; F149-A159 HydrophobicContact CE1-CB 3.69Å; F149-A159 HydrophobicContact CZ-CB 4.01Å
150V98.4Very high97.7Very high3 Ų345.9 Ų45.92%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-118.2147.216768.50000109.7V136 L137 S157 Y158 Y160 I165V136-V150 CarbonylContact O-C 3.5Å; V136-V150 VanDerWaalsContact O-CA 3.24Å; V136-V150 WeakPolarHBondContact O-CA 3.47Å; V136-V150 WeakPolarHBondContact O-CG2 3.36Å; L137-V150 HydrophobicContact CD2-CB 4.09Å; L137-V150 HydrophobicContact CD2-CG2 3.93Å; V150-S157 VanDerWaalsContact O-CA 3.27Å; V150-S157 WeakPolarHBondContact O-CA 3.45Å; V150-Y158 PolarHBondContact N-O 2.91Å; V150-Y158 PolarHBondContact O-N 2.88Å; V150-Y158 VanDerWaalsContact O-N 3.13Å; V150-Y160 HydrophobicContact CB-CD2 4.36Å; V150-Y160 HydrophobicContact CB-CE2 4.43Å; V150-Y160 HydrophobicContact CG1-CD2 3.56Å; V150-Y160 HydrophobicContact CG1-CE2 3.28Å; V150-I165 HydrophobicContact CG2-CG2 4.06Å
151I98.6Very high97.6Very high0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-125.8125.6167.7-51.3171.4000108.5T113 L116 A117 M120 S135 V136 L138 L156T113-I151 HydrophobicContact CG2-CD1 4.06Å; T113-I151 HydrophobicContact CG2-CG1 3.94Å; L116-I151 HydrophobicContact CB-CD1 3.91Å; L116-I151 HydrophobicContact CD2-CD1 3.96Å; L116-I151 HydrophobicContact CG-CD1 4.1Å; A117-I151 HydrophobicContact CB-CD1 4.26Å; A117-I151 HydrophobicContact CB-CG1 4.39Å; A117-I151 HydrophobicContact CB-CG2 3.99Å; M120-I151 HydrophobicContact CE-CG2 4.19Å; M120-I151 HydrophobicContact SD-CB 4.38Å; M120-I151 HydrophobicContact SD-CG2 3.59Å; M120-I151 VanDerWaalsContact SD-CG2 3.59Å; S135-I151 WeakPolarHBondContact CA-O 3.31Å; V136-I151 HydrophobicContact CB-CB 4.21Å; V136-I151 PolarHBondContact N-O 2.89Å; V136-I151 PolarHBondContact O-N 3.18Å; L138-I151 HydrophobicContact CD1-CD1 3.91Å; I151-L156 WeakPolarHBondContact CA-O 3.41Å
152E97.6Very high97.6Very high47 Ų4750.7 Ų50.722%0.2227%0.269CS..  trans-93.4162.6177.7-65.8-168.3145.500111.6M120 S154 G155 L156 K169M120-E152 WeakPolarHBondContact CE-O 2.87Å; E152-S154 PolarHBondContact O-N 2.85Å; E152-G155 PolarHBondContact O-N 2.87Å; E152-L156 PolarHBondContact N-O 2.81Å; E152-K169 IonicContact OE1-NZ 3.45Å
153P98Very high97.6Very high1 Ų148.8 Ų48.81%0.00626%0.26CS..THydrogen-bonded Turntrans-51.8-26.2178.5-31.736.8000115.6A27 V31 F132 V134 S135 G155A27-P153 HydrophobicContact CB-CB 3.85Å; A27-P153 HydrophobicContact CB-CG 4.42Å; V31-P153 HydrophobicContact CG2-CG 3.97Å; F132-P153 WeakPolarHBondContact O-CB 3.36Å; V134-P153 WeakPolarHBondContact O-CD 3.4Å; V134-P153 WeakPolarHBondContact O-CG 3.29Å; S135-P153 WeakPolarHBondContact OG-CD 3.34Å; P153-G155 PolarHBondContact O-N 2.77Å
154S97.4Very high97.8Very high21 Ų2140.2 Ų40.215%0.14721%0.214CC..THydrogen-bonded Turntrans-68.1-16.7176.357.20000113.8H121 E152 L156H121-S154 PolarHBondContact ND1-O 2.84Å; E152-S154 PolarHBondContact O-N 2.85Å; S154-L156 VanDerWaalsContact C-N 3.35Å; S154-L156 WeakPolarHBondContact OG-CB 3.41Å; S154-L156 WeakPolarHBondContact OG-CG 3.37Å; S154-L156 PolarHBondContact OG-N 3.41Å
155G97.7Very high98Very high12 Ų1234.5 Ų34.512%0.12418%0.184CC..SBendtrans8210.1-166.700000113.6A117 E152 P153A117-G155 WeakPolarHBondContact CB-O 3.43Å; A117-G155 WeakPolarHBondContact O-CA 3.46Å; E152-G155 PolarHBondContact O-N 2.87Å; P153-G155 PolarHBondContact O-N 2.77Å
156L97.9Very high98Very high82 Ų8234.3 Ų34.343%0.42918%0.182SC..  trans-72.2131169.4-70.4173.4000110.2I151 E152 S154 Y158I151-L156 WeakPolarHBondContact CA-O 3.41Å; E152-L156 PolarHBondContact N-O 2.81Å; S154-L156 VanDerWaalsContact C-N 3.35Å; S154-L156 WeakPolarHBondContact OG-CB 3.41Å; S154-L156 WeakPolarHBondContact OG-CG 3.37Å; S154-L156 PolarHBondContact OG-N 3.41Å; L156-Y158 HydrophobicContact CB-CE2 3.89Å; L156-Y158 HydrophobicContact CD1-CE2 4.41Å
157S97.9Very high97.9Very high28 Ų2837 Ų3720%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-114.5143.6174.6510000111E114 V150E114-S157 PolarHBondContact OE1-OG 2.96Å; V150-S157 VanDerWaalsContact O-CA 3.27Å; V150-S157 WeakPolarHBondContact O-CA 3.45Å
158Y97.9Very high97.8Very high110 Ų11035.2 Ų35.243%0.43119%0.186SC..EExtended strand (participates in β ladder)trans-148.3145.5176.8-64.7-72.2000110.8F149 V150 L156 Y160F149-Y158 VanDerWaalsContact CA-O 3.28Å; F149-Y158 WeakPolarHBondContact CA-O 3.45Å; V150-Y158 PolarHBondContact N-O 2.91Å; V150-Y158 PolarHBondContact O-N 2.88Å; V150-Y158 VanDerWaalsContact O-N 3.13Å; L156-Y158 HydrophobicContact CB-CE2 3.89Å; L156-Y158 HydrophobicContact CD1-CE2 4.41Å; Y158-Y160 HydrophobicContact CG-CE2 4.35Å
159A97.9Very high97.8Very high73 Ų7338.8 Ų38.860%0.60320%0.202SC*.EExtended strand (participates in β ladder)trans-82.1140.7168.200000110.4L148 F149L148-A159 WeakPolarHBondContact O-CA 3.34Å; F149-A159 HydrophobicContact CD1-CB 4.06Å; F149-A159 HydrophobicContact CE1-CB 3.69Å; F149-A159 HydrophobicContact CZ-CB 4.01Å
160Y97.6Very high97.7Very high88 Ų8844.3 Ų44.335%0.34523%0.228SC..  trans-137.2148.4-177.7-85.8-97.1000111.6Q41 L148 V150 Y158 G162 C163Q41-Y160 PolarHBondContact OE1-O 2.69Å; L148-Y160 WeakPolarHBondContact CB-O 3.32Å; L148-Y160 PolarHBondContact O-N 3.36Å; V150-Y160 HydrophobicContact CB-CD2 4.36Å; V150-Y160 HydrophobicContact CB-CE2 4.43Å; V150-Y160 HydrophobicContact CG1-CD2 3.56Å; V150-Y160 HydrophobicContact CG1-CE2 3.28Å; Y158-Y160 HydrophobicContact CG-CE2 4.35Å; Y160-G162 VanDerWaalsContact CD1-O 3.28Å; Y160-G162 WeakPolarHBondContact CD1-O 3.26Å; Y160-C163 HydrophobicContact CD1-CB 4.03Å; Y160-C163 HydrophobicContact CD2-CB 4.46Å; Y160-C163 HydrophobicContact CG-CB 3.92Å
161F97.3Very high97.7Very high144 Ų14448.9 Ų48.963%0.63225%0.252SS*.SBendtrans-81.9-30.8164.7-63.9-66.3000112.3Q41 M181Q41-F161 WeakPolarHBondContact CA-O 3.45Å; Q41-F161 WeakPolarHBondContact CB-O 3.34Å; Q41-F161 PolarHBondContact N-O 3Å; Q41-F161 VanDerWaalsContact OE1-CD1 3.31Å; F161-M181 HydrophobicContact CB-SD 4.36Å
162G97.8Very high97.7Very high16 Ų1648.9 Ų48.917%0.16525%0.252CS..EExtended strand (participates in β ladder)trans-156.2137.217300000109A39 Y160A39-G162 CarbonylContact O-C 3.57Å; A39-G162 VanDerWaalsContact O-CA 3.31Å; A39-G162 WeakPolarHBondContact O-CA 3.37Å; Y160-G162 VanDerWaalsContact CD1-O 3.28Å; Y160-G162 WeakPolarHBondContact CD1-O 3.26Å
163C97.8Very high97.7Very high6 Ų648.5 Ų48.54%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-142.1147.9-175.3-165.70000110.7I38 A39 L137 Y160I38-C163 CarbonylContact C-O 3.56Å; I38-C163 VanDerWaalsContact CA-O 3.27Å; I38-C163 WeakPolarHBondContact CA-O 3.27Å; A39-C163 PolarHBondContact N-O 2.75Å; A39-C163 PolarHBondContact O-N 3.47Å; L137-C163 HydrophobicContact CD2-CB 3.91Å; Y160-C163 HydrophobicContact CD1-CB 4.03Å; Y160-C163 HydrophobicContact CD2-CB 4.46Å; Y160-C163 HydrophobicContact CG-CB 3.92Å
164A98.4Very high97.7Very high0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-127.4143.7173.100000110.1A37 I38 K169 A172 I176A37-A164 CarbonylContact O-C 3.5Å; A37-A164 WeakPolarHBondContact O-CA 3.45Å; I38-A164 HydrophobicContact CG2-CB 3.83Å; A164-K169 HydrophobicContact CB-CG 4.36Å; A164-K169 WeakPolarHBondContact O-CD 3.47Å; A164-K169 WeakPolarHBondContact O-CE 3.18Å; A164-K169 VanDerWaalsContact O-CG 3.31Å; A164-K169 WeakPolarHBondContact O-CG 3.24Å; A164-A172 HydrophobicContact CB-CB 3.62Å; A164-I176 HydrophobicContact CB-CD1 4.32Å
165I98.2Very high97.7Very high3 Ų352.1 Ų52.12%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-136.7151.817357.6171.2000109.7A37 M79 L137 V150A37-I165 HydrophobicContact CB-CG1 4.05Å; A37-I165 PolarHBondContact N-O 2.87Å; A37-I165 PolarHBondContact O-N 3.27Å; M79-I165 HydrophobicContact CB-CD1 3.76Å; M79-I165 HydrophobicContact CB-CG1 4.04Å; M79-I165 HydrophobicContact CG-CD1 3.5Å; M79-I165 HydrophobicContact CG-CG1 3.58Å; L137-I165 HydrophobicContact CD1-CD1 4.03Å; L137-I165 HydrophobicContact CD1-CG1 3.93Å; L137-I165 HydrophobicContact CD2-CD1 4.45Å; L137-I165 HydrophobicContact CD2-CG2 4.31Å; L137-I165 HydrophobicContact CG-CD1 3.73Å; L137-I165 HydrophobicContact CG-CG1 4.05Å; V150-I165 HydrophobicContact CG2-CG2 4.06Å
166G97.3Very high97.7Very high5 Ų551.9 Ų51.95%0.05227%0.267CS..SBendtrans106.5-168.9-177.500000114G35 A168 K169G35-G166 WeakPolarHBondContact O-CA 3.45Å; G166-A168 VanDerWaalsContact C-N 3.35Å; G166-A168 PolarHBondContact O-N 3.32Å; G166-K169 WeakPolarHBondContact O-CB 3.46Å; G166-K169 PolarHBondContact O-N 3.43Å
167K96.5Very high97.7Very high66 Ų6654.8 Ų54.829%0.28728%0.278SS..THydrogen-bonded Turntrans-58.9-37.6-171.368-174-175.6-172.10114.8E32 S34 E51 D206E32-K167 WeakPolarHBondContact O-CA 3.46Å; E32-K167 WeakPolarHBondContact O-CB 3.49Å; S34-K167 VanDerWaalsContact O-CB 3.23Å; S34-K167 WeakPolarHBondContact O-CB 3.26Å; S34-K167 VanDerWaalsContact O-CG 3.3Å; S34-K167 WeakPolarHBondContact O-CG 3.41Å; S34-K167 PolarHBondContact O-N 3.44Å; S34-K167 VanDerWaalsContact O-N 3.11Å; E51-K167 WeakPolarHBondContact OE1-CE 3.42Å; E51-K167 IonicContact OE1-NZ 2.87Å; E51-K167 PolarHBondContact OE1-NZ 2.93Å; E51-K167 WeakPolarHBondContact OE2-CE 3.21Å; E51-K167 IonicContact OE2-NZ 3.88Å; E51-K167 PolarHBondContact OE2-NZ 3.46Å; K167-D206 IonicContact NZ-OD2 3.87Å; K167-D206 PolarHBondContact NZ-OD2 2.64Å
168A97.4Very high97.6Very high12 Ų1259.8 Ų59.810%0.09930%0.297CS..THydrogen-bonded Turntrans-102.424.2-176.400000113.2T36 G166 Q170 N171 A172 V200T36-A168 HydrophobicContact CG2-CB 4.12Å; T36-A168 VanDerWaalsContact OG1-CB 3.29Å; T36-A168 WeakPolarHBondContact OG1-CB 3.44Å; T36-A168 PolarHBondContact OG1-N 3.49Å; G166-A168 VanDerWaalsContact C-N 3.35Å; G166-A168 PolarHBondContact O-N 3.32Å; A168-Q170 VanDerWaalsContact C-N 3.29Å; A168-Q170 PolarHBondContact O-N 3.32Å; A168-N171 PolarHBondContact O-N 2.95Å; A168-A172 WeakPolarHBondContact O-CB 3.47Å; A168-A172 PolarHBondContact O-N 3.13Å; A168-V200 HydrophobicContact CB-CB 3.83Å; A168-V200 HydrophobicContact CB-CG2 3.93Å
169K97.2Very high97.5Very high77 Ų7756 Ų5634%0.33528%0.284SS..Hα-helixtrans-45.3-50.5-178.4173172.6-177.3-177.90112.6E152 A164 G166 A172 T173E152-K169 IonicContact OE1-NZ 3.45Å; A164-K169 HydrophobicContact CB-CG 4.36Å; A164-K169 WeakPolarHBondContact O-CD 3.47Å; A164-K169 WeakPolarHBondContact O-CE 3.18Å; A164-K169 VanDerWaalsContact O-CG 3.31Å; A164-K169 WeakPolarHBondContact O-CG 3.24Å; G166-K169 WeakPolarHBondContact O-CB 3.46Å; G166-K169 PolarHBondContact O-N 3.43Å; K169-A172 PolarHBondContact O-N 3.01Å; K169-T173 WeakPolarHBondContact O-CB 3.35Å; K169-T173 PolarHBondContact O-N 2.87Å; K169-T173 PolarHBondContact O-OG1 2.81Å
170Q97.2Very high97.4Very high137 Ų13759.8 Ų59.864%0.6429%0.287SS*.Hα-helixtrans-63.6-44.9-175.8-173.960.646.300113.1A168 T173 T174A168-Q170 VanDerWaalsContact C-N 3.29Å; A168-Q170 PolarHBondContact O-N 3.32Å; Q170-T173 PolarHBondContact O-N 3.16Å; Q170-T174 PolarHBondContact O-N 2.89Å; Q170-T174 VanDerWaalsContact O-N 3.13Å; Q170-T174 PolarHBondContact O-OG1 3.5Å
171N97.6Very high97.2Very high99 Ų9957 Ų5753%0.52928%0.277SS..Hα-helixtrans-68.5-43.7-179.8-656.7000110.1A168 T173 T174 E175 V200A168-N171 PolarHBondContact O-N 2.95Å; N171-T173 PolarHBondContact O-N 3.22Å; N171-T174 WeakPolarHBondContact O-CB 3.38Å; N171-T174 PolarHBondContact O-N 3.11Å; N171-T174 VanDerWaalsContact O-N 3.1Å; N171-E175 PolarHBondContact O-N 3.41Å; N171-E175 VanDerWaalsContact O-N 3.11Å; N171-V200 HydrophobicContact CB-CB 4.4Å; N171-V200 HydrophobicContact CB-CG1 3.88Å
172A98.3Very high96.9Very high0 Ų054.9 Ų54.90%027%0.272CS..Hα-helixtrans-61.5-42.617700000112T36 I38 A164 A168 K169 T174 E175 I176 I196 V200T36-A172 HydrophobicContact CG2-CB 4.24Å; I38-A172 HydrophobicContact CG2-CB 3.85Å; A164-A172 HydrophobicContact CB-CB 3.62Å; A168-A172 WeakPolarHBondContact O-CB 3.47Å; A168-A172 PolarHBondContact O-N 3.13Å; K169-A172 PolarHBondContact O-N 3.01Å; A172-T174 VanDerWaalsContact C-N 3.28Å; A172-T174 PolarHBondContact O-N 2.84Å; A172-E175 PolarHBondContact O-N 2.98Å; A172-I176 WeakPolarHBondContact O-CB 3.3Å; A172-I176 WeakPolarHBondContact O-CG1 3.48Å; A172-I176 PolarHBondContact O-N 3.48Å; A172-I196 HydrophobicContact CB-CG2 4.16Å; A172-V200 HydrophobicContact CB-CG1 4.13Å; A172-V200 HydrophobicContact CB-CG2 4.47Å
173T98.2Very high96.8Very high38 Ų3860 Ų6023%0.23330%0.296CS..Hα-helixtrans-57.9-42173.5-64.40000111.6K169 Q170 N171 E175 I176 E177K169-T173 WeakPolarHBondContact O-CB 3.35Å; K169-T173 PolarHBondContact O-N 2.87Å; K169-T173 PolarHBondContact O-OG1 2.81Å; Q170-T173 PolarHBondContact O-N 3.16Å; N171-T173 PolarHBondContact O-N 3.22Å; T173-E175 VanDerWaalsContact C-N 3.34Å; T173-E175 PolarHBondContact O-N 3.47Å; T173-I176 PolarHBondContact O-N 3.12Å; T173-E177 HydrophobicContact CG2-CG 4.42Å; T173-E177 WeakPolarHBondContact O-CG 3.46Å; T173-E177 PolarHBondContact O-N 3.25Å
174T98.1Very high96.7Very high56 Ų5661.7 Ų61.734%0.34431%0.305SS..Hα-helixtrans-62.5-40.2178.8-53.40000111.9Q170 N171 A172 K178Q170-T174 PolarHBondContact O-N 2.89Å; Q170-T174 VanDerWaalsContact O-N 3.13Å; Q170-T174 PolarHBondContact O-OG1 3.5Å; N171-T174 WeakPolarHBondContact O-CB 3.38Å; N171-T174 PolarHBondContact O-N 3.11Å; N171-T174 VanDerWaalsContact O-N 3.1Å; A172-T174 VanDerWaalsContact C-N 3.28Å; A172-T174 PolarHBondContact O-N 2.84Å; T174-K178 WeakPolarHBondContact O-CG 3.48Å
175E97.7Very high96.6Very high43 Ų4363.6 Ų63.620%0.20132%0.318CS..Hα-helixtrans-70.2-40.7175.5-61.7-51.6127.200112.4N171 A172 T173 E177 K178 I196 T199N171-E175 PolarHBondContact O-N 3.41Å; N171-E175 VanDerWaalsContact O-N 3.11Å; A172-E175 PolarHBondContact O-N 2.98Å; T173-E175 VanDerWaalsContact C-N 3.34Å; T173-E175 PolarHBondContact O-N 3.47Å; E175-E177 VanDerWaalsContact C-N 3.29Å; E175-E177 PolarHBondContact O-N 2.98Å; E175-K178 WeakPolarHBondContact O-CB 3.34Å; E175-K178 PolarHBondContact O-N 2.84Å; E175-K178 VanDerWaalsContact O-N 3.15Å; E175-K178 IonicContact OE1-NZ 2.63Å; E175-K178 PolarHBondContact OE1-NZ 3.31Å; E175-K178 IonicContact OE2-NZ 2.81Å; E175-K178 PolarHBondContact OE2-NZ 3.14Å; E175-I196 HydrophobicContact CB-CB 4.47Å; E175-I196 HydrophobicContact CB-CD1 4.03Å; E175-I196 HydrophobicContact CB-CG1 3.7Å; E175-I196 HydrophobicContact CB-CG2 4.13Å; E175-T199 HydrophobicContact CG-CG2 4.38Å
176I97.8Very high96.5Very high6 Ų664.6 Ų64.63%0.03132%0.324CS..Hα-helixtrans-58.2-42.1175.9-70.6170.3000110.6I38 I40 A164 A172 T173 K178 L179 M181 I196I38-I176 HydrophobicContact CB-CD1 4.16Å; I38-I176 HydrophobicContact CG2-CD1 4.12Å; I40-I176 HydrophobicContact CD1-CG1 4.43Å; A164-I176 HydrophobicContact CB-CD1 4.32Å; A172-I176 WeakPolarHBondContact O-CB 3.3Å; A172-I176 WeakPolarHBondContact O-CG1 3.48Å; A172-I176 PolarHBondContact O-N 3.48Å; T173-I176 PolarHBondContact O-N 3.12Å; I176-K178 PolarHBondContact O-N 2.95Å; I176-L179 WeakPolarHBondContact O-CB 3.15Å; I176-L179 PolarHBondContact O-N 3.29Å; I176-L179 VanDerWaalsContact O-N 3.08Å; I176-M181 HydrophobicContact CG2-CE 3.28Å; I176-M181 WeakPolarHBondContact O-CE 3.43Å; I176-I196 HydrophobicContact CG1-CD1 3.83Å
177E97.4Very high96.4Very high143 Ų14368.2 Ų68.267%0.66834%0.34SS*.Hα-helixtrans-63.2-22.3179.6-76.6175.917300114T173 E175 L179T173-E177 HydrophobicContact CG2-CG 4.42Å; T173-E177 WeakPolarHBondContact O-CG 3.46Å; T173-E177 PolarHBondContact O-N 3.25Å; E175-E177 VanDerWaalsContact C-N 3.29Å; E175-E177 PolarHBondContact O-N 2.98Å; E177-L179 VanDerWaalsContact C-N 3.29Å
178K96.8Very high96.5Very high133 Ų13369.5 Ų69.558%0.57835%0.347SS*.THydrogen-bonded Turntrans-76.2-18.1176.2-61.7171.2-167.3170.90112.5T174 E175 I176T174-K178 WeakPolarHBondContact O-CG 3.48Å; E175-K178 WeakPolarHBondContact O-CB 3.34Å; E175-K178 PolarHBondContact O-N 2.84Å; E175-K178 VanDerWaalsContact O-N 3.15Å; E175-K178 IonicContact OE1-NZ 2.63Å; E175-K178 PolarHBondContact OE1-NZ 3.31Å; E175-K178 IonicContact OE2-NZ 2.81Å; E175-K178 PolarHBondContact OE2-NZ 3.14Å; I176-K178 PolarHBondContact O-N 2.95Å
179L96.1Very high96.5Very high31 Ų3169 Ų6916%0.16234%0.342CS..  trans-81.6137.3-174-58-177.5000112.2I40 I176 E177 M181 E192 I196I40-L179 HydrophobicContact CD1-CD1 3.96Å; I176-L179 WeakPolarHBondContact O-CB 3.15Å; I176-L179 PolarHBondContact O-N 3.29Å; I176-L179 VanDerWaalsContact O-N 3.08Å; E177-L179 VanDerWaalsContact C-N 3.29Å; L179-M181 VanDerWaalsContact C-N 3.32Å; L179-M181 HydrophobicContact CB-CE 4.5Å; L179-M181 HydrophobicContact CB-CG 3.91Å; L179-M181 PolarHBondContact O-N 3.44Å; L179-E192 HydrophobicContact CD1-CB 4.02Å; L179-E192 HydrophobicContact CD2-CB 4.11Å; L179-E192 HydrophobicContact CD2-CG 3.95Å; L179-I196 HydrophobicContact CD1-CD1 3.87Å
180K95.6Very high96.5Very high153 Ų15365.4 Ų65.467%0.66533%0.327SS*.  trans-90.171.5163.2-64.7-177.1-178.1178.10109.6N182 D183K180-N182 PolarHBondContact O-N 3.34Å; K180-D183 HydrophobicContact CB-CB 4.17Å; K180-D183 WeakPolarHBondContact CD-OD2 3.15Å; K180-D183 WeakPolarHBondContact O-CB 3.33Å; K180-D183 PolarHBondContact O-N 3.11Å
181M92.5Very high96.6Very high28 Ų2861.9 Ų61.914%0.13831%0.31CS..G310 helixtrans-53.5-33.6-168.1-55166.6-155.200114.1I40 F161 I176 L179 D183I40-M181 HydrophobicContact CG2-CB 4.27Å; I40-M181 HydrophobicContact CG2-CE 4.47Å; I40-M181 HydrophobicContact CG2-CG 3.67Å; I40-M181 HydrophobicContact CG2-SD 3.53Å; I40-M181 VanDerWaalsContact CG2-SD 3.53Å; F161-M181 HydrophobicContact CB-SD 4.36Å; I176-M181 HydrophobicContact CG2-CE 3.28Å; I176-M181 WeakPolarHBondContact O-CE 3.43Å; L179-M181 VanDerWaalsContact C-N 3.32Å; L179-M181 HydrophobicContact CB-CE 4.5Å; L179-M181 HydrophobicContact CB-CG 3.91Å; L179-M181 PolarHBondContact O-N 3.44Å; M181-D183 VanDerWaalsContact C-N 3.32Å; M181-D183 PolarHBondContact O-N 3.38Å
182N91.9Very high96.6Very high100 Ų10059 Ų5954%0.53529%0.293SS..G310 helixtrans-76.1-16179.8-71.4-36.1000114.4K180K180-N182 PolarHBondContact O-N 3.34Å
183D94.9Very high96.6Very high123 Ų12359 Ų5966%0.65829%0.293SS*.G310 helixtrans-91.8-13178.8-63.6-17.7000111.8K180 M181K180-D183 HydrophobicContact CB-CB 4.17Å; K180-D183 WeakPolarHBondContact CD-OD2 3.15Å; K180-D183 WeakPolarHBondContact O-CB 3.33Å; K180-D183 PolarHBondContact O-N 3.11Å; M181-D183 VanDerWaalsContact C-N 3.32Å; M181-D183 PolarHBondContact O-N 3.38Å
184L95.4Very high96.6Very high43 Ų4357.2 Ų57.223%0.22528%0.282CS..SBendtrans-88.4139.2-176.9-60.2175.6000111.4E188 L189 E192L184-E188 HydrophobicContact CB-CB 4.2Å; L184-E188 HydrophobicContact CD2-CB 4.21Å; L184-L189 HydrophobicContact CB-CD1 4.43Å; L184-L189 HydrophobicContact CD1-CD1 3.88Å; L184-E192 HydrophobicContact CD1-CG 4.09Å
185S96.1Very high96.6Very high40 Ų4057.5 Ų57.528%0.2828%0.279SS..  trans-66158.1165.462.20000111.2E187 E188 L189S185-E187 PolarHBondContact O-N 2.96Å; S185-E188 WeakPolarHBondContact CB-OE2 3.27Å; S185-E188 PolarHBondContact N-OE2 3.09Å; S185-E188 PolarHBondContact O-N 3.14Å; S185-E188 VanDerWaalsContact O-N 3.15Å; S185-E188 WeakPolarHBondContact OG-CB 3.22Å; S185-E188 WeakPolarHBondContact OG-CG 3.28Å; S185-E188 PolarHBondContact OG-N 3.24Å; S185-E188 PolarHBondContact OG-OE2 3.34Å; S185-L189 WeakPolarHBondContact O-CB 3.3Å; S185-L189 PolarHBondContact O-N 3.33Å
186P96.2Very high96.6Very high23 Ų2355.7 Ų55.715%0.14927%0.27CS..Hα-helixtrans-53-38.4174.6-29.237.4000113.8L189 I190 W215P186-L189 PolarHBondContact O-N 2.98Å; P186-I190 WeakPolarHBondContact O-CG1 3.22Å; P186-I190 PolarHBondContact O-N 3.33Å; P186-I190 VanDerWaalsContact O-N 3.12Å; P186-W215 HydrophobicContact CB-CE3 4.14Å; P186-W215 HydrophobicContact CB-CZ3 3.76Å
187E96.7Very high96.7Very high81 Ų8155.4 Ų55.438%0.37927%0.269SS..Hα-helixtrans-68.7-41.4178.3-65.579.9-177.800112.3S185 L189 I190 K191 L231S185-E187 PolarHBondContact O-N 2.96Å; E187-L189 VanDerWaalsContact C-N 3.35Å; E187-I190 PolarHBondContact O-N 3.07Å; E187-K191 WeakPolarHBondContact O-CG 3.34Å; E187-K191 PolarHBondContact O-N 2.85Å; E187-L231 HydrophobicContact CB-CD2 4.44Å; E187-L231 HydrophobicContact CG-CD1 4.33Å; E187-L231 HydrophobicContact CG-CD2 3.83Å
188E97.2Very high96.7Very high93 Ų9350 Ų5044%0.43524%0.242SC..Hα-helixtrans-66-39173.9-72162149.900111.2L184 S185 I190 K191 E192L184-E188 HydrophobicContact CB-CB 4.2Å; L184-E188 HydrophobicContact CD2-CB 4.21Å; S185-E188 WeakPolarHBondContact CB-OE2 3.27Å; S185-E188 PolarHBondContact N-OE2 3.09Å; S185-E188 PolarHBondContact O-N 3.14Å; S185-E188 VanDerWaalsContact O-N 3.15Å; S185-E188 WeakPolarHBondContact OG-CB 3.22Å; S185-E188 WeakPolarHBondContact OG-CG 3.28Å; S185-E188 PolarHBondContact OG-N 3.24Å; S185-E188 PolarHBondContact OG-OE2 3.34Å; E188-I190 VanDerWaalsContact C-N 3.3Å; E188-I190 PolarHBondContact O-N 3.42Å; E188-K191 WeakPolarHBondContact O-CB 3.48Å; E188-K191 PolarHBondContact O-N 3.24Å; E188-K191 VanDerWaalsContact O-N 3.1Å; E188-E192 PolarHBondContact O-N 3.11Å
189L97.6Very high96.6Very high1 Ų146.5 Ų46.51%0.00523%0.232CC..Hα-helixtrans-62.8-37.5177.5-161.768.7000112.1I40 V47 L184 S185 P186 E187 A193I40-L189 HydrophobicContact CB-CD1 4.3Å; I40-L189 HydrophobicContact CB-CD2 4.41Å; I40-L189 HydrophobicContact CB-CG 4.39Å; I40-L189 HydrophobicContact CG2-CD1 3.68Å; I40-L189 HydrophobicContact CG2-CD2 4.32Å; I40-L189 HydrophobicContact CG2-CG 4.26Å; V47-L189 HydrophobicContact CB-CD2 4.3Å; V47-L189 HydrophobicContact CG2-CB 4.34Å; V47-L189 HydrophobicContact CG2-CD2 3.87Å; V47-L189 HydrophobicContact CG2-CG 4.21Å; L184-L189 HydrophobicContact CB-CD1 4.43Å; L184-L189 HydrophobicContact CD1-CD1 3.88Å; S185-L189 WeakPolarHBondContact O-CB 3.3Å; S185-L189 PolarHBondContact O-N 3.33Å; P186-L189 PolarHBondContact O-N 2.98Å; E187-L189 VanDerWaalsContact C-N 3.35Å; L189-A193 VanDerWaalsContact O-CB 3.29Å; L189-A193 WeakPolarHBondContact O-CB 3.42Å; L189-A193 PolarHBondContact O-N 3.09Å
190I98.2Very high96.7Very high2 Ų245.6 Ų45.61%0.0123%0.228CC..Hα-helixtrans-62.4-43.5172.8-68.3163.5000111V47 P186 E187 E188 A193 A194 L213 W215 V227 A235V47-I190 HydrophobicContact CG1-CG1 4Å; V47-I190 HydrophobicContact CG2-CG1 3.86Å; P186-I190 WeakPolarHBondContact O-CG1 3.22Å; P186-I190 PolarHBondContact O-N 3.33Å; P186-I190 VanDerWaalsContact O-N 3.12Å; E187-I190 PolarHBondContact O-N 3.07Å; E188-I190 VanDerWaalsContact C-N 3.3Å; E188-I190 PolarHBondContact O-N 3.42Å; I190-A193 PolarHBondContact O-N 3Å; I190-A194 WeakPolarHBondContact O-CB 3.4Å; I190-A194 PolarHBondContact O-N 2.94Å; I190-L213 HydrophobicContact CG2-CD1 3.8Å; I190-W215 HydrophobicContact CD1-CD2 3.98Å; I190-W215 HydrophobicContact CD1-CE3 3.35Å; I190-W215 HydrophobicContact CD1-CH2 4.16Å; I190-W215 HydrophobicContact CD1-CZ3 3.42Å; I190-W215 VanDerWaalsContact CD1-CZ3 3.42Å; I190-W215 HydrophobicContact CG1-CE3 4.23Å; I190-V227 HydrophobicContact CD1-CG1 3.97Å; I190-V227 HydrophobicContact CD1-CG2 3.76Å; I190-V227 HydrophobicContact CG1-CG2 4.12Å; I190-V227 HydrophobicContact CG2-CG1 4.26Å; I190-V227 HydrophobicContact CG2-CG2 4.31Å; I190-A235 HydrophobicContact CG2-CB 3.74Å
191K98.1Very high96.7Very high64 Ų6440 Ų4028%0.27820%0.204SC..Hα-helixtrans-62.2-46.6178.4-70-180179.4-178.30111.7E187 E188 A194 K195 A235 F238E187-K191 WeakPolarHBondContact O-CG 3.34Å; E187-K191 PolarHBondContact O-N 2.85Å; E188-K191 WeakPolarHBondContact O-CB 3.48Å; E188-K191 PolarHBondContact O-N 3.24Å; E188-K191 VanDerWaalsContact O-N 3.1Å; K191-A194 PolarHBondContact O-N 3.36Å; K191-K195 WeakPolarHBondContact O-CB 3.3Å; K191-K195 PolarHBondContact O-N 3.22Å; K191-A235 HydrophobicContact CG-CB 4.1Å; K191-F238 HydrophobicContact CB-CD1 3.66Å; K191-F238 HydrophobicContact CB-CE1 3.97Å; K191-F238 HydrophobicContact CB-CG 4.16Å; K191-F238 HydrophobicContact CD-CB 4.44Å; K191-F238 HydrophobicContact CD-CG 4.28Å; K191-F238 HydrophobicContact CG-CB 4.44Å; K191-F238 HydrophobicContact CG-CD1 4.37Å; K191-F238 HydrophobicContact CG-CG 4.4Å
192E98Very high96.7Very high38 Ų3840.9 Ų40.918%0.17821%0.209CC..Hα-helixtrans-63.9-41175.8-67.5-57.5145.800111.6L179 L184 E188 A194 K195 I196L179-E192 HydrophobicContact CD1-CB 4.02Å; L179-E192 HydrophobicContact CD2-CB 4.11Å; L179-E192 HydrophobicContact CD2-CG 3.95Å; L184-E192 HydrophobicContact CD1-CG 4.09Å; E188-E192 PolarHBondContact O-N 3.11Å; E192-A194 PolarHBondContact O-N 2.88Å; E192-K195 PolarHBondContact O-N 3.31Å; E192-I196 VanDerWaalsContact O-CG1 3.24Å; E192-I196 WeakPolarHBondContact O-CG1 3.1Å; E192-I196 PolarHBondContact O-N 3.36Å
193A98.4Very high96.6Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-62.4-42.7176.800000112.3I38 I40 V47 A49 L189 I190 I196 I197I38-A193 HydrophobicContact CD1-CB 4.16Å; I38-A193 WeakPolarHBondContact CD1-O 3.41Å; I40-A193 HydrophobicContact CD1-CB 4.02Å; V47-A193 HydrophobicContact CG1-CB 3.91Å; A49-A193 HydrophobicContact CB-CB 3.95Å; L189-A193 VanDerWaalsContact O-CB 3.29Å; L189-A193 WeakPolarHBondContact O-CB 3.42Å; L189-A193 PolarHBondContact O-N 3.09Å; I190-A193 PolarHBondContact O-N 3Å; A193-I196 PolarHBondContact O-N 2.86Å; A193-I197 PolarHBondContact O-N 2.77Å
194A98.5Very high96.3Very high0 Ų044.2 Ų44.20%022%0.221CC..Hα-helixtrans-61.9-48.6173.600000111.3I190 K191 E192 I196 I197 Y198 L211 L213 A235 A239I190-A194 WeakPolarHBondContact O-CB 3.4Å; I190-A194 PolarHBondContact O-N 2.94Å; K191-A194 PolarHBondContact O-N 3.36Å; E192-A194 PolarHBondContact O-N 2.88Å; A194-I196 VanDerWaalsContact C-N 3.32Å; A194-I196 PolarHBondContact O-N 2.98Å; A194-I197 PolarHBondContact O-N 2.96Å; A194-I197 VanDerWaalsContact O-N 3.12Å; A194-Y198 WeakPolarHBondContact O-CD2 3.33Å; A194-Y198 PolarHBondContact O-N 3.5Å; A194-Y198 VanDerWaalsContact O-N 3.1Å; A194-L211 HydrophobicContact CB-CD2 3.84Å; A194-L213 HydrophobicContact CB-CD1 4.4Å; A194-A235 HydrophobicContact CB-CB 4.01Å; A194-A239 HydrophobicContact CB-CB 4.08Å
195K98.1Very high96.1Very high63 Ų6349.7 Ų49.727%0.27424%0.243SC..Hα-helixtrans-53.2-48.6176.9177.4-176.7168.9-174.40111.5K191 E192 I197 Y198 T199 F238 A239 A242K191-K195 WeakPolarHBondContact O-CB 3.3Å; K191-K195 PolarHBondContact O-N 3.22Å; E192-K195 PolarHBondContact O-N 3.31Å; K195-I197 VanDerWaalsContact C-N 3.32Å; K195-I197 PolarHBondContact O-N 3.5Å; K195-Y198 PolarHBondContact O-N 2.82Å; K195-Y198 VanDerWaalsContact O-N 3.15Å; K195-T199 PolarHBondContact O-N 3.47Å; K195-T199 PolarHBondContact O-OG1 2.95Å; K195-F238 HydrophobicContact CB-CD1 4.45Å; K195-F238 HydrophobicContact CB-CE1 4.23Å; K195-F238 HydrophobicContact CD-CE1 4.03Å; K195-A239 HydrophobicContact CB-CB 4.33Å; K195-A242 HydrophobicContact CD-CB 4.01Å; K195-A242 HydrophobicContact CG-CB 4.18Å
196I98.3Very high95.8Very high5 Ų549.8 Ų49.83%0.02624%0.24CC..Hα-helixtrans-57.5-44.5178.9-68.1171.9000111.4I38 I40 A172 E175 I176 L179 E192 A193 A194 Y198 T199 V200I38-I196 HydrophobicContact CD1-CB 3.81Å; I38-I196 HydrophobicContact CD1-CD1 4.36Å; I38-I196 HydrophobicContact CD1-CG2 3.71Å; I38-I196 HydrophobicContact CG2-CG2 4.42Å; I40-I196 HydrophobicContact CD1-CD1 4.11Å; A172-I196 HydrophobicContact CB-CG2 4.16Å; E175-I196 HydrophobicContact CB-CB 4.47Å; E175-I196 HydrophobicContact CB-CD1 4.03Å; E175-I196 HydrophobicContact CB-CG1 3.7Å; E175-I196 HydrophobicContact CB-CG2 4.13Å; I176-I196 HydrophobicContact CG1-CD1 3.83Å; L179-I196 HydrophobicContact CD1-CD1 3.87Å; E192-I196 VanDerWaalsContact O-CG1 3.24Å; E192-I196 WeakPolarHBondContact O-CG1 3.1Å; E192-I196 PolarHBondContact O-N 3.36Å; A193-I196 PolarHBondContact O-N 2.86Å; A194-I196 VanDerWaalsContact C-N 3.32Å; A194-I196 PolarHBondContact O-N 2.98Å; I196-Y198 PolarHBondContact O-N 3.12Å; I196-T199 PolarHBondContact O-N 2.83Å; I196-V200 HydrophobicContact CG2-CG1 4.43Å; I196-V200 WeakPolarHBondContact O-CG1 3.48Å; I196-V200 VanDerWaalsContact O-CG2 3.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.23Å
197I98.3Very high95.4Very high0 Ų057.2 Ų57.20%027%0.27CS..Hα-helixtrans-61.5-43.5178.2-68.3-61.8000111.7I38 A49 E51 A193 A194 K195 H201 F209 L211I38-I197 HydrophobicContact CD1-CD1 4.32Å; I38-I197 HydrophobicContact CD1-CG1 4.26Å; I38-I197 HydrophobicContact CG1-CD1 4.12Å; I38-I197 HydrophobicContact CG1-CG1 4.4Å; I38-I197 HydrophobicContact CG2-CD1 4.29Å; A49-I197 HydrophobicContact CB-CD1 4.38Å; A49-I197 HydrophobicContact CB-CG1 3.67Å; E51-I197 HydrophobicContact CB-CG2 3.93Å; E51-I197 HydrophobicContact CG-CG2 4.47Å; A193-I197 PolarHBondContact O-N 2.77Å; A194-I197 PolarHBondContact O-N 2.96Å; A194-I197 VanDerWaalsContact O-N 3.12Å; K195-I197 VanDerWaalsContact C-N 3.32Å; K195-I197 PolarHBondContact O-N 3.5Å; I197-H201 PolarHBondContact O-N 2.98Å; I197-F209 HydrophobicContact CG2-CE2 3.75Å; I197-F209 HydrophobicContact CG2-CZ 4.3Å; I197-L211 HydrophobicContact CB-CD1 4.01Å; I197-L211 HydrophobicContact CG1-CD1 4.13Å; I197-L211 HydrophobicContact CG2-CD1 3.81Å
198Y97.2Very high95.1Very high29 Ų2957.1 Ų57.111%0.11427%0.272CS..Hα-helixtrans-65.5-44176.4-85-89.2000112.1A194 K195 I196 V200 H201 F209 L211 E236 A239 K240A194-Y198 WeakPolarHBondContact O-CD2 3.33Å; A194-Y198 PolarHBondContact O-N 3.5Å; A194-Y198 VanDerWaalsContact O-N 3.1Å; K195-Y198 PolarHBondContact O-N 2.82Å; K195-Y198 VanDerWaalsContact O-N 3.15Å; I196-Y198 PolarHBondContact O-N 3.12Å; Y198-V200 VanDerWaalsContact C-N 3.31Å; Y198-V200 PolarHBondContact O-N 3.08Å; Y198-H201 WeakPolarHBondContact O-CB 3.46Å; Y198-H201 PolarHBondContact O-N 3.15Å; Y198-F209 HydrophobicContact CD1-CE1 4.3Å; Y198-F209 AromaticContact CD1-CZ 3.91Å; Y198-F209 HydrophobicContact CD1-CZ 3.91Å; Y198-F209 HydrophobicContact CD2-CZ 4.29Å; Y198-F209 HydrophobicContact CE1-CE1 4.04Å; Y198-F209 AromaticContact CE1-CZ 3.65Å; Y198-F209 HydrophobicContact CE1-CZ 3.65Å; Y198-F209 HydrophobicContact CE2-CZ 4.09Å; Y198-F209 HydrophobicContact CG-CZ 4.21Å; Y198-F209 AromaticContact CZ-CZ 3.74Å; Y198-L211 HydrophobicContact CE2-CD2 4.02Å; Y198-E236 HydrophobicContact CE2-CG 4.11Å; Y198-E236 VanDerWaalsContact OH-CG 3.31Å; Y198-E236 WeakPolarHBondContact OH-CG 3.42Å; Y198-E236 PolarHBondContact OH-OE1 3.27Å; Y198-E236 VanDerWaalsContact OH-OE1 3.07Å; Y198-A239 HydrophobicContact CD2-CB 3.44Å; Y198-A239 VanDerWaalsContact CD2-CB 3.44Å; Y198-A239 HydrophobicContact CE2-CB 4.02Å; Y198-A239 HydrophobicContact CG-CB 4.01Å; Y198-K240 HydrophobicContact CD1-CG 4.34Å; Y198-K240 HydrophobicContact CE1-CG 3.92Å; Y198-K240 VanDerWaalsContact OH-CE 3.27Å; Y198-K240 WeakPolarHBondContact OH-CE 3.39Å
199T96.5Very high95Very high60 Ų6054.4 Ų54.437%0.36826%0.259SS..Hα-helixtrans-62.4-34.9179.8-59.40000113E175 K195 I196E175-T199 HydrophobicContact CG-CG2 4.38Å; K195-T199 PolarHBondContact O-N 3.47Å; K195-T199 PolarHBondContact O-OG1 2.95Å; I196-T199 PolarHBondContact O-N 2.83Å
200V96.6Very high94.9Very high12 Ų1256.6 Ų56.67%0.07327%0.269CS..THydrogen-bonded Turntrans-93.4-1.7-177.5-54.10000113.8T36 A168 N171 A172 I196 Y198T36-V200 HydrophobicContact CG2-CG2 4.23Å; A168-V200 HydrophobicContact CB-CB 3.83Å; A168-V200 HydrophobicContact CB-CG2 3.93Å; N171-V200 HydrophobicContact CB-CB 4.4Å; N171-V200 HydrophobicContact CB-CG1 3.88Å; A172-V200 HydrophobicContact CB-CG1 4.13Å; A172-V200 HydrophobicContact CB-CG2 4.47Å; I196-V200 HydrophobicContact CG2-CG1 4.43Å; I196-V200 WeakPolarHBondContact O-CG1 3.48Å; I196-V200 VanDerWaalsContact O-CG2 3.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.23Å; Y198-V200 VanDerWaalsContact C-N 3.31Å; Y198-V200 PolarHBondContact O-N 3.08Å
201H96.4Very high94.9Very high35 Ų3557 Ų5716%0.16227%0.272CS..  trans-70.7134177.718063.2000110.8E51 I197 Y198 D206 F209E51-H201 IonicContact OE1-CE1 3.87Å; E51-H201 IonicContact OE1-CG 3.53Å; E51-H201 IonicContact OE1-ND1 3.42Å; E51-H201 PolarHBondContact OE1-ND1 3.38Å; I197-H201 PolarHBondContact O-N 2.98Å; Y198-H201 WeakPolarHBondContact O-CB 3.46Å; Y198-H201 PolarHBondContact O-N 3.15Å; H201-D206 PolarHBondContact CE1-O 3.45Å; H201-D206 PolarHBondContact NE2-O 3.49Å; H201-F209 HydrophobicContact CB-CE1 4.32Å; H201-F209 AromaticContact CD2-CD1 3.81Å; H201-F209 AromaticContact CD2-CE1 3.77Å; H201-F209 AromaticContact CE1-CD1 3.43Å; H201-F209 VanDerWaalsContact CE1-CD1 3.43Å; H201-F209 WeakPolarHBondContact CE1-CD1 3.41Å; H201-F209 AromaticContact CG-CD1 3.82Å; H201-F209 AromaticContact CG-CE1 3.77Å; H201-F209 AromaticContact ND1-CD1 3.59Å; H201-F209 AromaticContact NE2-CD1 3.55Å; H201-F209 AromaticContact NE2-CE1 3.99Å
202D92.4Very high94.9Very high47 Ų4755.9 Ų55.925%0.25127%0.269SS..  trans-102.290.4176-176.6-23.9000108.8I204 K205 D206D202-I204 PolarHBondContact O-N 2.93Å; D202-I204 WeakPolarHBondContact OD1-CB 3.31Å; D202-I204 PolarHBondContact OD1-N 3.43Å; D202-K205 HydrophobicContact CB-CB 4.5Å; D202-K205 PolarHBondContact O-N 3.31Å; D202-K205 PolarHBondContact OD1-N 3.25Å; D202-K205 VanDerWaalsContact OD1-N 3.09Å; D202-K205 VanDerWaalsContact OD2-CD 3.26Å; D202-K205 WeakPolarHBondContact OD2-CD 3.44Å; D202-K205 VanDerWaalsContact OD2-CE 3.23Å; D202-K205 WeakPolarHBondContact OD2-CE 3.41Å; D202-K205 WeakPolarHBondContact OD2-CG 3.33Å; D202-K205 IonicContact OD2-NZ 3.77Å; D202-K205 PolarHBondContact OD2-NZ 3.28Å; D202-D206 PolarHBondContact O-N 3.36Å
203E90Very high94.9Very high144 Ų14454.5 Ų54.567%0.67326%0.263SS*.THydrogen-bonded Turntrans-64.3-23.6-177.555.4163.3-151.900113.5
204I89.2Confident94.9Very high148 Ų14854.7 Ų54.776%0.75926%0.264SS*.THydrogen-bonded Turntrans-68.7-42.8178.1-60.5175.5000109.7D202D202-I204 PolarHBondContact O-N 2.93Å; D202-I204 WeakPolarHBondContact OD1-CB 3.31Å; D202-I204 PolarHBondContact OD1-N 3.43Å
205K89.6Confident94.9Very high159 Ų15955.2 Ų55.269%0.69127%0.266SS*.THydrogen-bonded Turntrans-83-42.9179.2-68.6-176.3-164.6128.30112.6D202D202-K205 HydrophobicContact CB-CB 4.5Å; D202-K205 PolarHBondContact O-N 3.31Å; D202-K205 PolarHBondContact OD1-N 3.25Å; D202-K205 VanDerWaalsContact OD1-N 3.09Å; D202-K205 VanDerWaalsContact OD2-CD 3.26Å; D202-K205 WeakPolarHBondContact OD2-CD 3.44Å; D202-K205 VanDerWaalsContact OD2-CE 3.23Å; D202-K205 WeakPolarHBondContact OD2-CE 3.41Å; D202-K205 WeakPolarHBondContact OD2-CG 3.33Å; D202-K205 IonicContact OD2-NZ 3.77Å; D202-K205 PolarHBondContact OD2-NZ 3.28Å
206D90.1Very high94.9Very high42 Ų4252.2 Ų52.223%0.22525%0.252CS..  trans-123.281.6-169.2-67.3-61.6000111.6I53 K167 H201 D202 N208I53-D206 HydrophobicContact CD1-CB 3.93Å; I53-D206 HydrophobicContact CG2-CB 4.18Å; I53-D206 WeakPolarHBondContact CG2-OD1 3.11Å; K167-D206 IonicContact NZ-OD2 3.87Å; K167-D206 PolarHBondContact NZ-OD2 2.64Å; H201-D206 PolarHBondContact CE1-O 3.45Å; H201-D206 PolarHBondContact NE2-O 3.49Å; D202-D206 PolarHBondContact O-N 3.36Å; D206-N208 PolarHBondContact O-N 2.72Å
207K88.4Confident94.9Very high178 Ų17852 Ų5277%0.77425%0.251SS*.SBendtrans-54.1-26.6-170.8-63.5-174.8178-174.60117.1
208N91.2Very high94.9Very high79 Ų7954.2 Ų54.242%0.42227%0.27SS..  trans-141.1135.4-178.2-53.8-79.8000109.7V54 D206V54-N208 HydrophobicContact CB-CB 4.24Å; V54-N208 PolarHBondContact N-O 3.28Å; D206-N208 PolarHBondContact O-N 2.72Å
209F95.1Very high94.7Very high36 Ų3655.9 Ų55.916%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-138.9158.6168.880.6-80.6000110.4E51 N52 I53 I197 Y198 H201 L211E51-F209 HydrophobicContact CB-CD2 4.34Å; E51-F209 HydrophobicContact CG-CB 4.01Å; E51-F209 HydrophobicContact CG-CD2 3.75Å; E51-F209 HydrophobicContact CG-CE2 4.4Å; E51-F209 HydrophobicContact CG-CG 3.93Å; N52-F209 CarbonylContact O-C 3.56Å; N52-F209 WeakPolarHBondContact O-CA 3.43Å; N52-F209 WeakPolarHBondContact O-CB 3.35Å; I53-F209 HydrophobicContact CD1-CB 4.26Å; I197-F209 HydrophobicContact CG2-CE2 3.75Å; I197-F209 HydrophobicContact CG2-CZ 4.3Å; Y198-F209 HydrophobicContact CD1-CE1 4.3Å; Y198-F209 AromaticContact CD1-CZ 3.91Å; Y198-F209 HydrophobicContact CD1-CZ 3.91Å; Y198-F209 HydrophobicContact CD2-CZ 4.29Å; Y198-F209 HydrophobicContact CE1-CE1 4.04Å; Y198-F209 AromaticContact CE1-CZ 3.65Å; Y198-F209 HydrophobicContact CE1-CZ 3.65Å; Y198-F209 HydrophobicContact CE2-CZ 4.09Å; Y198-F209 HydrophobicContact CG-CZ 4.21Å; Y198-F209 AromaticContact CZ-CZ 3.74Å; H201-F209 HydrophobicContact CB-CE1 4.32Å; H201-F209 AromaticContact CD2-CD1 3.81Å; H201-F209 AromaticContact CD2-CE1 3.77Å; H201-F209 AromaticContact CE1-CD1 3.43Å; H201-F209 VanDerWaalsContact CE1-CD1 3.43Å; H201-F209 WeakPolarHBondContact CE1-CD1 3.41Å; H201-F209 AromaticContact CG-CD1 3.82Å; H201-F209 AromaticContact CG-CE1 3.77Å; H201-F209 AromaticContact ND1-CD1 3.59Å; H201-F209 AromaticContact NE2-CD1 3.55Å; H201-F209 AromaticContact NE2-CE1 3.99Å; F209-L211 HydrophobicContact CE2-CB 4.11Å
210E95.5Very high94.7Very high47 Ų4753.5 Ų53.522%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-107.1130.3168-73.8174.8171.400108.8N52 V54 P61 G62N52-E210 HydrophobicContact CB-CB 4.26Å; N52-E210 WeakPolarHBondContact CB-O 3.32Å; N52-E210 PolarHBondContact N-O 3.27Å; N52-E210 PolarHBondContact O-N 3.39Å; V54-E210 HydrophobicContact CG2-CB 4.41Å; V54-E210 HydrophobicContact CG2-CG 3.78Å; P61-E210 VanDerWaalsContact CA-OE1 3.22Å; P61-E210 WeakPolarHBondContact CA-OE1 3.38Å; G62-E210 VanDerWaalsContact CA-OE2 3.3Å; G62-E210 WeakPolarHBondContact CA-OE2 3.46Å; G62-E210 PolarHBondContact N-OE1 3.05Å; G62-E210 PolarHBondContact N-OE2 3.16Å
211L97.5Very high94.7Very high11 Ų1161.8 Ų61.86%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-80.9123.8170.617767000109.1A49 A194 I197 Y198 F209 L213 F232A49-L211 HydrophobicContact CB-CD1 4.46Å; A194-L211 HydrophobicContact CB-CD2 3.84Å; I197-L211 HydrophobicContact CB-CD1 4.01Å; I197-L211 HydrophobicContact CG1-CD1 4.13Å; I197-L211 HydrophobicContact CG2-CD1 3.81Å; Y198-L211 HydrophobicContact CE2-CD2 4.02Å; F209-L211 HydrophobicContact CE2-CB 4.11Å; L211-L213 HydrophobicContact CD1-CD2 4.16Å; L211-L213 HydrophobicContact CD1-CG 4.33Å; L211-L213 HydrophobicContact CD2-CD1 3.91Å; L211-L213 HydrophobicContact CD2-CD2 4.4Å; L211-L213 HydrophobicContact CD2-CG 4.04Å; L211-L213 HydrophobicContact CG-CD1 4.41Å; L211-L213 HydrophobicContact CG-CD2 4.38Å; L211-L213 HydrophobicContact CG-CG 4.02Å; L211-F232 HydrophobicContact CB-CZ 4.23Å; L211-F232 HydrophobicContact CD2-CE2 4.39Å; L211-F232 HydrophobicContact CD2-CZ 4.37Å; L211-F232 HydrophobicContact CG-CE2 4.27Å; L211-F232 HydrophobicContact CG-CZ 4.35Å; L211-F232 VanDerWaalsContact O-CE2 3.25Å; L211-F232 WeakPolarHBondContact O-CE2 3.43Å; L211-F232 VanDerWaalsContact O-CZ 3.24Å; L211-F232 WeakPolarHBondContact O-CZ 3.37Å
212D97.7Very high94.7Very high41 Ų4160.4 Ų60.422%0.21930%0.296CS..EExtended strand (participates in β ladder)trans-107136165.7-85.8-12.9000110A49 V50 N52 I67A49-D212 WeakPolarHBondContact CA-O 2.91Å; V50-D212 HydrophobicContact CB-CB 4.3Å; V50-D212 PolarHBondContact N-O 3.14Å; V50-D212 PolarHBondContact O-N 3.46Å; N52-D212 PolarHBondContact ND2-OD2 3.27Å; I67-D212 HydrophobicContact CD1-CB 3.79Å; I67-D212 HydrophobicContact CG1-CB 4.26Å
213L98.4Very high95Very high9 Ų962 Ų625%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-129.2132.2176.2-65170.3000110.9F48 A49 I190 A194 L211 V227 F232 A235F48-L213 WeakPolarHBondContact O-CA 3.39Å; A49-L213 HydrophobicContact CB-CD2 3.42Å; A49-L213 VanDerWaalsContact CB-CD2 3.42Å; I190-L213 HydrophobicContact CG2-CD1 3.8Å; A194-L213 HydrophobicContact CB-CD1 4.4Å; L211-L213 HydrophobicContact CD1-CD2 4.16Å; L211-L213 HydrophobicContact CD1-CG 4.33Å; L211-L213 HydrophobicContact CD2-CD1 3.91Å; L211-L213 HydrophobicContact CD2-CD2 4.4Å; L211-L213 HydrophobicContact CD2-CG 4.04Å; L211-L213 HydrophobicContact CG-CD1 4.41Å; L211-L213 HydrophobicContact CG-CD2 4.38Å; L211-L213 HydrophobicContact CG-CG 4.02Å; L213-V227 HydrophobicContact CB-CB 3.97Å; L213-V227 HydrophobicContact CB-CG2 3.69Å; L213-V227 PolarHBondContact O-N 3.1Å; L213-F232 HydrophobicContact CB-CD2 4.08Å; L213-F232 HydrophobicContact CB-CE2 4.35Å; L213-F232 HydrophobicContact CD1-CD2 3.71Å; L213-F232 HydrophobicContact CD1-CE2 4.03Å; L213-F232 HydrophobicContact CD1-CG 4.46Å; L213-F232 HydrophobicContact CG-CD2 4.12Å; L213-F232 HydrophobicContact CG-CE2 4.13Å; L213-A235 HydrophobicContact CD1-CB 4.27Å
214S98.5Very high95.4Very high3 Ų355.2 Ų55.22%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-140.2163.9170.174.40000111.4F48 I67 H224 Q225F48-S214 WeakPolarHBondContact CD2-OG 3.36Å; F48-S214 PolarHBondContact N-O 2.76Å; F48-S214 PolarHBondContact O-N 3.44Å; F48-S214 VanDerWaalsContact O-N 3.09Å; I67-S214 VanDerWaalsContact CG2-OG 3.26Å; I67-S214 WeakPolarHBondContact CG2-OG 3.42Å; S214-H224 VanDerWaalsContact CB-NE2 3.34Å; S214-H224 WeakPolarHBondContact CB-NE2 3.27Å; S214-H224 PolarHBondContact OG-CE1 3.48Å; S214-H224 PolarHBondContact OG-NE2 3.17Å; S214-Q225 WeakPolarHBondContact CA-O 3.31Å; S214-Q225 WeakPolarHBondContact CB-O 3.35Å
215W98.5Very high95.9Very high11 Ų1151.7 Ų51.74%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-151.3159.3-179.965.8-12.7000112.1V46 V47 P186 I190 N219 T220 H224 Q225 V227 P228 L231V46-W215 CarbonylContact O-C 3.55Å; V46-W215 VanDerWaalsContact O-CA 3.22Å; V46-W215 WeakPolarHBondContact O-CA 3.32Å; V47-W215 HydrophobicContact CG2-CB 4.16Å; P186-W215 HydrophobicContact CB-CE3 4.14Å; P186-W215 HydrophobicContact CB-CZ3 3.76Å; I190-W215 HydrophobicContact CD1-CD2 3.98Å; I190-W215 HydrophobicContact CD1-CE3 3.35Å; I190-W215 HydrophobicContact CD1-CH2 4.16Å; I190-W215 HydrophobicContact CD1-CZ3 3.42Å; I190-W215 VanDerWaalsContact CD1-CZ3 3.42Å; I190-W215 HydrophobicContact CG1-CE3 4.23Å; W215-N219 VanDerWaalsContact CD2-ND2 3.27Å; W215-N219 VanDerWaalsContact CE2-ND2 3.28Å; W215-N219 WeakPolarHBondContact CH2-ND2 3.29Å; W215-N219 WeakPolarHBondContact CZ2-ND2 3.41Å; W215-N219 WeakPolarHBondContact CZ3-ND2 3.17Å; W215-T220 HydrophobicContact CD2-CG2 4.01Å; W215-T220 HydrophobicContact CG-CG2 4.02Å; W215-T220 HydrophobicContact CZ2-CG2 4.26Å; W215-H224 PolarHBondContact O-CD2 3.44Å; W215-Q225 PolarHBondContact N-O 2.74Å; W215-Q225 PolarHBondContact O-N 3.22Å; W215-Q225 VanDerWaalsContact O-N 3.08Å; W215-V227 HydrophobicContact CG-CG2 4.27Å; W215-P228 HydrophobicContact CZ2-CG 4.37Å; W215-L231 HydrophobicContact CH2-CD1 3.73Å; W215-L231 HydrophobicContact CZ2-CD1 4.2Å
216V98.5Very high96.2Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-142.6130.6169.558.70000108.2C45 V46 H224C45-V216 CarbonylContact C-O 3.57Å; C45-V216 VanDerWaalsContact CA-O 3.25Å; C45-V216 WeakPolarHBondContact CA-O 3.24Å; C45-V216 WeakPolarHBondContact CB-O 3.45Å; V46-V216 HydrophobicContact CB-CG1 4.04Å; V46-V216 PolarHBondContact N-O 2.95Å; V46-V216 PolarHBondContact O-N 2.96Å; V216-H224 HydrophobicContact CB-CB 3.99Å; V216-H224 HydrophobicContact CG2-CB 4.25Å
217G97.9Very high96.6Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-175-175.2-174.100000114D44 N219 T220 K221 G222D44-G217 CarbonylContact O-C 3.49Å; D44-G217 WeakPolarHBondContact O-CA 3.26Å; G217-N219 WeakPolarHBondContact CA-OD1 3.19Å; G217-N219 PolarHBondContact O-N 2.89Å; G217-T220 PolarHBondContact N-OG1 3.39Å; G217-T220 CarbonylContact O-C 3.54Å; G217-T220 PolarHBondContact O-N 3.29Å; G217-T220 PolarHBondContact O-OG1 2.94Å; G217-T220 VanDerWaalsContact O-OG1 3.08Å; G217-K221 PolarHBondContact O-N 3.13Å; G217-G222 PolarHBondContact O-N 3.3Å
218A96.9Very high97Very high47 Ų4741.4 Ų41.439%0.38822%0.223SC..G310 helixtrans-56.3-42.1175.300000111.8D44 Y141 T220 K221D44-A218 HydrophobicContact CB-CB 4.13Å; D44-A218 PolarHBondContact O-N 3.43Å; Y141-A218 HydrophobicContact CE1-CB 4.07Å; Y141-A218 HydrophobicContact CE2-CB 4.28Å; A218-T220 PolarHBondContact O-N 2.71Å; A218-K221 PolarHBondContact O-N 3.43Å
219N94Very high97.3Very high65 Ų6545.4 Ų45.435%0.34823%0.232SC..G310 helixtrans-61.3-27.7176.761.2-56.6000113.5W215 G217W215-N219 VanDerWaalsContact CD2-ND2 3.27Å; W215-N219 VanDerWaalsContact CE2-ND2 3.28Å; W215-N219 WeakPolarHBondContact CH2-ND2 3.29Å; W215-N219 WeakPolarHBondContact CZ2-ND2 3.41Å; W215-N219 WeakPolarHBondContact CZ3-ND2 3.17Å; G217-N219 WeakPolarHBondContact CA-OD1 3.19Å; G217-N219 PolarHBondContact O-N 2.89Å
220T96.8Very high97.4Very high10 Ų1051 Ų516%0.06126%0.256CS..G310 helixtrans-98.57.5175.573.70000112.9W215 G217 A218 G222 I223 Q225W215-T220 HydrophobicContact CD2-CG2 4.01Å; W215-T220 HydrophobicContact CG-CG2 4.02Å; W215-T220 HydrophobicContact CZ2-CG2 4.26Å; G217-T220 PolarHBondContact N-OG1 3.39Å; G217-T220 CarbonylContact O-C 3.54Å; G217-T220 PolarHBondContact O-N 3.29Å; G217-T220 PolarHBondContact O-OG1 2.94Å; G217-T220 VanDerWaalsContact O-OG1 3.08Å; A218-T220 PolarHBondContact O-N 2.71Å; T220-G222 PolarHBondContact O-N 3.27Å; T220-I223 WeakPolarHBondContact CB-O 3.5Å; T220-I223 WeakPolarHBondContact O-CB 3.28Å; T220-I223 PolarHBondContact O-N 3.45Å; T220-I223 VanDerWaalsContact O-N 3.09Å; T220-I223 PolarHBondContact OG1-N 3.12Å; T220-I223 PolarHBondContact OG1-O 3.24Å; T220-Q225 HydrophobicContact CG2-CG 4.06Å; T220-Q225 VanDerWaalsContact CG2-NE2 3.26Å
221K96.6Very high97.5Very high185 Ų18550.4 Ų50.480%0.80425%0.254SS*.THydrogen-bonded Turntrans54.834.9-173.3-55.5178.3-178.8176.60112.4G217 A218 I223G217-K221 PolarHBondContact O-N 3.13Å; A218-K221 PolarHBondContact O-N 3.43Å; K221-I223 VanDerWaalsContact C-N 3.28Å; K221-I223 PolarHBondContact O-N 2.9Å
222G96.9Very high97.5Very high6 Ų651.1 Ų51.16%0.06226%0.257CS..THydrogen-bonded Turntrans7216-178.500000114.5H73 G217 T220H73-G222 WeakPolarHBondContact CA-O 3.31Å; H73-G222 WeakPolarHBondContact CB-O 3.3Å; G217-G222 PolarHBondContact O-N 3.3Å; T220-G222 PolarHBondContact O-N 3.27Å
223I98.1Very high97.5Very high81 Ų8151.9 Ų51.942%0.41526%0.261SS..  trans-97126.3174.4-59.3176.3000108.8D72 T220 K221D72-I223 CarbonylContact O-C 3.51Å; D72-I223 VanDerWaalsContact O-CA 3.3Å; D72-I223 WeakPolarHBondContact O-CA 3.5Å; D72-I223 WeakPolarHBondContact O-CG2 3.35Å; T220-I223 WeakPolarHBondContact CB-O 3.5Å; T220-I223 WeakPolarHBondContact O-CB 3.28Å; T220-I223 PolarHBondContact O-N 3.45Å; T220-I223 VanDerWaalsContact O-N 3.09Å; T220-I223 PolarHBondContact OG1-N 3.12Å; T220-I223 PolarHBondContact OG1-O 3.24Å; K221-I223 VanDerWaalsContact C-N 3.28Å; K221-I223 PolarHBondContact O-N 2.9Å
224H98.6Very high97.5Very high2 Ų255 Ų551%0.00928%0.275CS..  trans-76.1128.1174.4179.3-101.2000110.5F48 N69 D72 G75 S214 W215 V216F48-H224 AromaticContact CD2-NE2 3.73Å; F48-H224 AromaticContact CE2-NE2 3.93Å; N69-H224 PolarHBondContact ND2-O 2.88Å; N69-H224 PolarHBondContact OD1-CE1 3.05Å; N69-H224 PolarHBondContact OD1-ND1 2.9Å; D72-H224 PolarHBondContact O-N 3.35Å; G75-H224 VanDerWaalsContact CA-CD2 3.44Å; G75-H224 WeakPolarHBondContact CA-CD2 3.48Å; G75-H224 WeakPolarHBondContact CA-ND1 3.32Å; S214-H224 VanDerWaalsContact CB-NE2 3.34Å; S214-H224 WeakPolarHBondContact CB-NE2 3.27Å; S214-H224 PolarHBondContact OG-CE1 3.48Å; S214-H224 PolarHBondContact OG-NE2 3.17Å; W215-H224 PolarHBondContact O-CD2 3.44Å; V216-H224 HydrophobicContact CB-CB 3.99Å; V216-H224 HydrophobicContact CG2-CB 4.25Å
225Q98.2Very high97.5Very high74 Ų7454.9 Ų54.935%0.34627%0.274SS..EExtended strand (participates in β ladder)trans-151.4158.8-176.660.1-177.42.400111.5S214 W215 T220S214-Q225 WeakPolarHBondContact CA-O 3.31Å; S214-Q225 WeakPolarHBondContact CB-O 3.35Å; W215-Q225 PolarHBondContact N-O 2.74Å; W215-Q225 PolarHBondContact O-N 3.22Å; W215-Q225 VanDerWaalsContact O-N 3.08Å; T220-Q225 HydrophobicContact CG2-CG 4.06Å; T220-Q225 VanDerWaalsContact CG2-NE2 3.26Å
226P97.8Very high97.4Very high93 Ų9356.3 Ų56.360%0.60428%0.282SS*.EExtended strand (participates in β ladder)trans-58.2150.7167.2-21.433.4000111.4
227V97.7Very high97.3Very high10 Ų1059.8 Ų59.86%0.06130%0.303CS..PPolyproline II helixtrans-63.6132.7172.7172.50000109.4I190 L213 W215 L231 F232I190-V227 HydrophobicContact CD1-CG1 3.97Å; I190-V227 HydrophobicContact CD1-CG2 3.76Å; I190-V227 HydrophobicContact CG1-CG2 4.12Å; I190-V227 HydrophobicContact CG2-CG1 4.26Å; I190-V227 HydrophobicContact CG2-CG2 4.31Å; L213-V227 HydrophobicContact CB-CB 3.97Å; L213-V227 HydrophobicContact CB-CG2 3.69Å; L213-V227 PolarHBondContact O-N 3.1Å; W215-V227 HydrophobicContact CG-CG2 4.27Å; V227-L231 HydrophobicContact CG1-CB 3.61Å; V227-F232 HydrophobicContact CG1-CB 4.31Å
228P97.3Very high97.3Very high60 Ų6062.9 Ų62.939%0.3932%0.316SS..PPolyproline II helixtrans-55.4141.1177-26.634.3000112.4W215 K230 L231 F232W215-P228 HydrophobicContact CZ2-CG 4.37Å; P228-K230 VanDerWaalsContact C-N 3.25Å; P228-K230 PolarHBondContact O-N 3.35Å; P228-L231 HydrophobicContact CG-CD1 4.43Å; P228-L231 PolarHBondContact O-N 2.88Å; P228-F232 PolarHBondContact O-N 3.08Å
229R96.8Very high97.3Very high162 Ų16260.7 Ų60.761%0.61130%0.298SS*.Hα-helixtrans-50.8-41.1-171.4-175.962.8-167.1-172.97.7114.2L231 F232 D233R229-L231 PolarHBondContact O-N 3.31Å; R229-F232 WeakPolarHBondContact O-CB 3.46Å; R229-F232 PolarHBondContact O-N 3.02Å; R229-D233 IonicContact CZ-OD1 2.64Å; R229-D233 IonicContact NE-OD1 2.72Å; R229-D233 PolarHBondContact NE-OD1 3.39Å; R229-D233 IonicContact NE-OD2 3.4Å; R229-D233 PolarHBondContact NE-OD2 2.95Å; R229-D233 VanDerWaalsContact NE-OD2 3.17Å; R229-D233 IonicContact NH2-OD1 3.47Å; R229-D233 PolarHBondContact NH2-OD1 3.32Å; R229-D233 VanDerWaalsContact O-CG 3.25Å; R229-D233 PolarHBondContact O-N 2.96Å
230K97Very high97.4Very high153 Ų15361.7 Ų61.767%0.66530%0.299SS*.Hα-helixtrans-58.9-48.2177.2-176.2-176.5173.5-170.10112.5P228 F232 D233 E234P228-K230 VanDerWaalsContact C-N 3.25Å; P228-K230 PolarHBondContact O-N 3.35Å; K230-F232 VanDerWaalsContact C-N 3.33Å; K230-D233 PolarHBondContact O-N 3.4Å; K230-E234 WeakPolarHBondContact CE-OE1 3.42Å; K230-E234 WeakPolarHBondContact O-CG 3.49Å; K230-E234 PolarHBondContact O-N 3.01Å; K230-E234 VanDerWaalsContact O-N 3.11Å
231L97.1Very high97.3Very high35 Ų3565.8 Ų65.818%0.18332%0.318CS..Hα-helixtrans-69.3-35.1179-72.2174.7000111.5E187 W215 V227 P228 R229 E234 A235E187-L231 HydrophobicContact CB-CD2 4.44Å; E187-L231 HydrophobicContact CG-CD1 4.33Å; E187-L231 HydrophobicContact CG-CD2 3.83Å; W215-L231 HydrophobicContact CH2-CD1 3.73Å; W215-L231 HydrophobicContact CZ2-CD1 4.2Å; V227-L231 HydrophobicContact CG1-CB 3.61Å; P228-L231 HydrophobicContact CG-CD1 4.43Å; P228-L231 PolarHBondContact O-N 2.88Å; R229-L231 PolarHBondContact O-N 3.31Å; L231-E234 PolarHBondContact O-N 2.9Å; L231-A235 WeakPolarHBondContact O-CB 3.23Å; L231-A235 PolarHBondContact O-N 3.46Å
232F98.1Very high97.2Very high26 Ų2658 Ų5811%0.11429%0.288CS..Hα-helixtrans-59.1-51.8173.1-179.1-79.4000111.1L211 L213 V227 P228 R229 K230 E234 A235 E236L211-F232 HydrophobicContact CB-CZ 4.23Å; L211-F232 HydrophobicContact CD2-CE2 4.39Å; L211-F232 HydrophobicContact CD2-CZ 4.37Å; L211-F232 HydrophobicContact CG-CE2 4.27Å; L211-F232 HydrophobicContact CG-CZ 4.35Å; L211-F232 VanDerWaalsContact O-CE2 3.25Å; L211-F232 WeakPolarHBondContact O-CE2 3.43Å; L211-F232 VanDerWaalsContact O-CZ 3.24Å; L211-F232 WeakPolarHBondContact O-CZ 3.37Å; L213-F232 HydrophobicContact CB-CD2 4.08Å; L213-F232 HydrophobicContact CB-CE2 4.35Å; L213-F232 HydrophobicContact CD1-CD2 3.71Å; L213-F232 HydrophobicContact CD1-CE2 4.03Å; L213-F232 HydrophobicContact CD1-CG 4.46Å; L213-F232 HydrophobicContact CG-CD2 4.12Å; L213-F232 HydrophobicContact CG-CE2 4.13Å; V227-F232 HydrophobicContact CG1-CB 4.31Å; P228-F232 PolarHBondContact O-N 3.08Å; R229-F232 WeakPolarHBondContact O-CB 3.46Å; R229-F232 PolarHBondContact O-N 3.02Å; K230-F232 VanDerWaalsContact C-N 3.33Å; F232-E234 VanDerWaalsContact C-N 3.32Å; F232-E234 PolarHBondContact O-N 3.33Å; F232-A235 PolarHBondContact O-N 3.36Å; F232-A235 VanDerWaalsContact O-N 3.16Å; F232-E236 HydrophobicContact CE1-CB 4.44Å; F232-E236 WeakPolarHBondContact CE1-OE2 3.35Å; F232-E236 WeakPolarHBondContact O-CB 3.47Å; F232-E236 PolarHBondContact O-N 3.43Å
233D97.7Very high97Very high58 Ų5860.4 Ų60.431%0.3130%0.299SS..Hα-helixtrans-62.8-39.2-178.8-67.2-33.8000111.5R229 K230 T237R229-D233 IonicContact CZ-OD1 2.64Å; R229-D233 IonicContact NE-OD1 2.72Å; R229-D233 PolarHBondContact NE-OD1 3.39Å; R229-D233 IonicContact NE-OD2 3.4Å; R229-D233 PolarHBondContact NE-OD2 2.95Å; R229-D233 VanDerWaalsContact NE-OD2 3.17Å; R229-D233 IonicContact NH2-OD1 3.47Å; R229-D233 PolarHBondContact NH2-OD1 3.32Å; R229-D233 VanDerWaalsContact O-CG 3.25Å; R229-D233 PolarHBondContact O-N 2.96Å; K230-D233 PolarHBondContact O-N 3.4Å; D233-T237 WeakPolarHBondContact O-CB 3.44Å; D233-T237 PolarHBondContact O-N 3.41Å; D233-T237 PolarHBondContact O-OG1 3.05Å
234E97.8Very high96.6Very high75 Ų7562.3 Ų62.335%0.3531%0.306SS..Hα-helixtrans-63.4-41.3174.4-73.8175.3-160.800112.4K230 L231 F232 F238K230-E234 WeakPolarHBondContact CE-OE1 3.42Å; K230-E234 WeakPolarHBondContact O-CG 3.49Å; K230-E234 PolarHBondContact O-N 3.01Å; K230-E234 VanDerWaalsContact O-N 3.11Å; L231-E234 PolarHBondContact O-N 2.9Å; F232-E234 VanDerWaalsContact C-N 3.32Å; F232-E234 PolarHBondContact O-N 3.33Å; E234-F238 WeakPolarHBondContact O-CB 3.37Å; E234-F238 PolarHBondContact O-N 3.4Å
235A98.1Very high96.2Very high0 Ų068.4 Ų68.40%034%0.335CS..Hα-helixtrans-70.9-40.8178.500000112.8I190 K191 A194 L213 L231 F232 T237 F238 A239I190-A235 HydrophobicContact CG2-CB 3.74Å; K191-A235 HydrophobicContact CG-CB 4.1Å; A194-A235 HydrophobicContact CB-CB 4.01Å; L213-A235 HydrophobicContact CD1-CB 4.27Å; L231-A235 WeakPolarHBondContact O-CB 3.23Å; L231-A235 PolarHBondContact O-N 3.46Å; F232-A235 PolarHBondContact O-N 3.36Å; F232-A235 VanDerWaalsContact O-N 3.16Å; A235-T237 VanDerWaalsContact C-N 3.35Å; A235-F238 PolarHBondContact O-N 2.98Å; A235-A239 WeakPolarHBondContact O-CB 3.32Å; A235-A239 PolarHBondContact O-N 3.47Å
236E97.5Very high95.6Very high41 Ų4167 Ų6719%0.19234%0.336CS..Hα-helixtrans-64.4-41.5175.6-166-174.4175.600111.3Y198 F232 A239 K240Y198-E236 HydrophobicContact CE2-CG 4.11Å; Y198-E236 VanDerWaalsContact OH-CG 3.31Å; Y198-E236 WeakPolarHBondContact OH-CG 3.42Å; Y198-E236 PolarHBondContact OH-OE1 3.27Å; Y198-E236 VanDerWaalsContact OH-OE1 3.07Å; F232-E236 HydrophobicContact CE1-CB 4.44Å; F232-E236 WeakPolarHBondContact CE1-OE2 3.35Å; F232-E236 WeakPolarHBondContact O-CB 3.47Å; F232-E236 PolarHBondContact O-N 3.43Å; E236-A239 PolarHBondContact O-N 3.04Å; E236-K240 WeakPolarHBondContact O-CG 3.49Å; E236-K240 PolarHBondContact O-N 2.99Å; E236-K240 VanDerWaalsContact O-N 3.09Å; E236-K240 WeakPolarHBondContact OE1-CE 3.36Å; E236-K240 IonicContact OE1-NZ 2.73Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å
237T97.4Very high94.9Very high72 Ų7266.8 Ų66.844%0.44233%0.329SS..Hα-helixtrans-63.2-47176.2-56.70000111.1D233 A235 A239 K240 Q241D233-T237 WeakPolarHBondContact O-CB 3.44Å; D233-T237 PolarHBondContact O-N 3.41Å; D233-T237 PolarHBondContact O-OG1 3.05Å; A235-T237 VanDerWaalsContact C-N 3.35Å; T237-A239 VanDerWaalsContact C-N 3.33Å; T237-A239 PolarHBondContact O-N 2.9Å; T237-K240 PolarHBondContact O-N 3.34Å; T237-Q241 WeakPolarHBondContact O-CG 3.43Å; T237-Q241 PolarHBondContact O-N 2.61Å
238F97.5Very high94.1Very high65 Ų6571.4 Ų71.429%0.28535%0.354SS..Hα-helixtrans-58.8-43.7176.7174.4-95.3000112.2K191 K195 E234 A235 Q241 A242K191-F238 HydrophobicContact CB-CD1 3.66Å; K191-F238 HydrophobicContact CB-CE1 3.97Å; K191-F238 HydrophobicContact CB-CG 4.16Å; K191-F238 HydrophobicContact CD-CB 4.44Å; K191-F238 HydrophobicContact CD-CG 4.28Å; K191-F238 HydrophobicContact CG-CB 4.44Å; K191-F238 HydrophobicContact CG-CD1 4.37Å; K191-F238 HydrophobicContact CG-CG 4.4Å; K195-F238 HydrophobicContact CB-CD1 4.45Å; K195-F238 HydrophobicContact CB-CE1 4.23Å; K195-F238 HydrophobicContact CD-CE1 4.03Å; E234-F238 WeakPolarHBondContact O-CB 3.37Å; E234-F238 PolarHBondContact O-N 3.4Å; A235-F238 PolarHBondContact O-N 2.98Å; F238-Q241 PolarHBondContact O-N 3.34Å; F238-A242 WeakPolarHBondContact O-CB 3.38Å; F238-A242 PolarHBondContact O-N 2.83Å
239A97.1Very high93Very high1 Ų173.7 Ų73.71%0.00836%0.362CS..Hα-helixtrans-63.1-42.6179.700000112.6A194 K195 Y198 A235 E236 T237 A242 L243A194-A239 HydrophobicContact CB-CB 4.08Å; K195-A239 HydrophobicContact CB-CB 4.33Å; Y198-A239 HydrophobicContact CD2-CB 3.44Å; Y198-A239 VanDerWaalsContact CD2-CB 3.44Å; Y198-A239 HydrophobicContact CE2-CB 4.02Å; Y198-A239 HydrophobicContact CG-CB 4.01Å; A235-A239 WeakPolarHBondContact O-CB 3.32Å; A235-A239 PolarHBondContact O-N 3.47Å; E236-A239 PolarHBondContact O-N 3.04Å; T237-A239 VanDerWaalsContact C-N 3.33Å; T237-A239 PolarHBondContact O-N 2.9Å; A239-A242 PolarHBondContact O-N 2.9Å; A239-L243 PolarHBondContact O-N 3.36Å
240K95.2Very high91.9Very high86 Ų8671.5 Ų71.537%0.37436%0.362SS..Hα-helixtrans-67.1-43.7177.4-71174.7-175.4167.20112.2Y198 E236 T237 A242 L243 E244Y198-K240 HydrophobicContact CD1-CG 4.34Å; Y198-K240 HydrophobicContact CE1-CG 3.92Å; Y198-K240 VanDerWaalsContact OH-CE 3.27Å; Y198-K240 WeakPolarHBondContact OH-CE 3.39Å; E236-K240 WeakPolarHBondContact O-CG 3.49Å; E236-K240 PolarHBondContact O-N 2.99Å; E236-K240 VanDerWaalsContact O-N 3.09Å; E236-K240 WeakPolarHBondContact OE1-CE 3.36Å; E236-K240 IonicContact OE1-NZ 2.73Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å; T237-K240 PolarHBondContact O-N 3.34Å; K240-A242 VanDerWaalsContact C-N 3.33Å; K240-A242 PolarHBondContact O-N 3.42Å; K240-L243 WeakPolarHBondContact O-CB 3.22Å; K240-L243 PolarHBondContact O-N 3.22Å; K240-L243 VanDerWaalsContact O-N 3.15Å; K240-E244 WeakPolarHBondContact O-CG 3.44Å; K240-E244 PolarHBondContact O-N 2.77Å
241Q95.6Very high90.7Very high97 Ų9770 Ų7045%0.45336%0.362SS..Hα-helixtrans-60.7-43.1175.9-73.3176.1-25.300111.8T237 F238 L243 E244 E245T237-Q241 WeakPolarHBondContact O-CG 3.43Å; T237-Q241 PolarHBondContact O-N 2.61Å; F238-Q241 PolarHBondContact O-N 3.34Å; Q241-L243 PolarHBondContact O-N 3.03Å; Q241-E244 PolarHBondContact O-N 3.16Å; Q241-E245 WeakPolarHBondContact O-CB 3.23Å; Q241-E245 WeakPolarHBondContact O-CG 3.12Å; Q241-E245 PolarHBondContact O-N 2.99Å
242A93.9Very high89.3Confident20 Ų2076 Ų7617%0.16539%0.389CS..Hα-helixtrans-66.2-24.1177.900000113.5K195 F238 A239 K240 A246K195-A242 HydrophobicContact CD-CB 4.01Å; K195-A242 HydrophobicContact CG-CB 4.18Å; F238-A242 WeakPolarHBondContact O-CB 3.38Å; F238-A242 PolarHBondContact O-N 2.83Å; A239-A242 PolarHBondContact O-N 2.9Å; K240-A242 VanDerWaalsContact C-N 3.33Å; K240-A242 PolarHBondContact O-N 3.42Å; A242-A246 PolarHBondContact O-N 2.85Å
243L91.3Very high87.7Confident57 Ų5780.8 Ų80.830%0.29842%0.42SS..Hα-helixtrans-78.9-46.8174.2-170.765.6000110.8A239 K240 Q241 E245 A246 D247A239-L243 PolarHBondContact O-N 3.36Å; K240-L243 WeakPolarHBondContact O-CB 3.22Å; K240-L243 PolarHBondContact O-N 3.22Å; K240-L243 VanDerWaalsContact O-N 3.15Å; Q241-L243 PolarHBondContact O-N 3.03Å; L243-E245 VanDerWaalsContact C-N 3.33Å; L243-E245 PolarHBondContact O-N 3.44Å; L243-A246 WeakPolarHBondContact O-CB 3.34Å; L243-A246 PolarHBondContact O-N 3.42Å; L243-D247 PolarHBondContact O-N 2.9Å
244E91.1Very high85.2Confident122 Ų12289.1 Ų89.157%0.5746%0.457SS*.Hα-helixtrans-56.6-44.9174.8-70.2171.7-175.400111.6K240 Q241 A246 D247 D248K240-E244 WeakPolarHBondContact O-CG 3.44Å; K240-E244 PolarHBondContact O-N 2.77Å; Q241-E244 PolarHBondContact O-N 3.16Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.5Å; E244-D247 PolarHBondContact O-N 2.85Å; E244-D248 PolarHBondContact O-N 3.27Å
245E89.7Confident84.6Confident130 Ų13089.8 Ų89.861%0.60746%0.462SS*.Hα-helixtrans-64-28.8176.7-73.4175.7-175.700113.3Q241 L243 L249Q241-E245 WeakPolarHBondContact O-CB 3.23Å; Q241-E245 WeakPolarHBondContact O-CG 3.12Å; Q241-E245 PolarHBondContact O-N 2.99Å; L243-E245 VanDerWaalsContact C-N 3.33Å; L243-E245 PolarHBondContact O-N 3.44Å; E245-L249 WeakPolarHBondContact O-CD1 3.17Å; E245-L249 VanDerWaalsContact O-CG 3.26Å; E245-L249 WeakPolarHBondContact O-CG 3.37Å; E245-L249 PolarHBondContact O-N 3.09Å
246A86.2Confident83.9Confident44 Ų4494.5 Ų94.536%0.36449%0.487SS..Hα-helixtrans-77.9-41.1177.600000111.4A242 L243 E244 L249 D250A242-A246 PolarHBondContact O-N 2.85Å; L243-A246 WeakPolarHBondContact O-CB 3.34Å; L243-A246 PolarHBondContact O-N 3.42Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 3.5Å; A246-L249 PolarHBondContact O-N 3.39Å; A246-D250 PolarHBondContact O-N 2.69Å
247D82.7Confident83.2Confident89 Ų8997.5 Ų97.548%0.47650%0.503SS..Hα-helixtrans-64.7-42.1177.1-66.2-19.7000111L243 E244 L249 D250 D251L243-D247 PolarHBondContact O-N 2.9Å; E244-D247 PolarHBondContact O-N 2.85Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 PolarHBondContact O-N 3.3Å; D247-D250 PolarHBondContact O-N 3.47Å; D247-D251 PolarHBondContact O-N 3.43Å; D247-D251 VanDerWaalsContact O-N 3.12Å
248D80.3Confident82.3Confident106 Ų10699 Ų9957%0.56751%0.507SS*.Hα-helixtrans-61.4-35.5176.5-77-16.9000112.3E244 E252E244-D248 PolarHBondContact O-N 3.27Å; D248-E252 PolarHBondContact O-N 3.24Å
249L75.5Confident81.4Confident108 Ų108101.1 Ų101.157%0.56552%0.52SS*.Hα-helixtrans-72.4-33178.4-76.2169.3000112.7E245 A246 D247 V253E245-L249 WeakPolarHBondContact O-CD1 3.17Å; E245-L249 VanDerWaalsContact O-CG 3.26Å; E245-L249 WeakPolarHBondContact O-CG 3.37Å; E245-L249 PolarHBondContact O-N 3.09Å; A246-L249 PolarHBondContact O-N 3.39Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 PolarHBondContact O-N 3.3Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.47Å
250D72.8Confident80.3Confident116 Ų116107.8 Ų107.862%0.6256%0.555SS**Hα-helixtrans-72.5-36.1176.7-77.3-14.7000110.8A246 D247 E252 V253A246-D250 PolarHBondContact O-N 2.69Å; D247-D250 PolarHBondContact O-N 3.47Å; D250-E252 VanDerWaalsContact C-N 3.35Å; D250-E252 PolarHBondContact O-N 3.06Å; D250-V253 PolarHBondContact O-N 2.98Å
251D71.7Confident79.3Confident122 Ų122109.4 Ų109.465%0.65257%0.567SS**Hα-helixtrans-68.5-27.1174.8-81-11.6000113.4D247 V253D247-D251 PolarHBondContact O-N 3.43Å; D247-D251 VanDerWaalsContact O-N 3.12Å; D251-V253 VanDerWaalsContact C-N 3.31Å
252E67.4Low78Confident161 Ų161110.3 Ų110.375%0.75258%0.576SS**THydrogen-bonded Turntrans-77.3-13.4175.8-77.4-169.9175.400113.9D248 D250D248-E252 PolarHBondContact O-N 3.24Å; D250-E252 VanDerWaalsContact C-N 3.35Å; D250-E252 PolarHBondContact O-N 3.06Å
253V64.2Low76.7Confident126 Ų126117.8 Ų117.876%0.76461%0.61SS**THydrogen-bonded Turntrans-101.2-8.4-173.9-179.60000112.9L249 D250 D251L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.47Å; D250-V253 PolarHBondContact O-N 2.98Å; D251-V253 VanDerWaalsContact C-N 3.31Å
254E47.2Very low75.3Confident233 Ų233123.4 Ų123.4100%1.08964%0.639SS**  trans-88.10172-66.2-159.7157.800114.4

Retrieved 254 of 254 residues in 49.9 ms (Link to these results)

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