A0A075B5Z0_MOUSE Loading...

T cell receptor gamma, constant 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A075B5Z0, Species MOUSE (Mus musculus, Mouse), Gene Trgc1, Length 172 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
1X38Very low71.9Confident128 Ų128100.6 Ų100.6100%1.3256%0.559SS**  0132.4000000108.6R3G1-R3 VanDerWaalsContact C-N 3.3Å; G1-R3 PolarHBondContact O-N 2.74Å
2K43.3Very low74Confident202 Ų20296.6 Ų96.688%0.87854%0.54SS*.  trans-70.189.7175.1-113.6179.2179.2177.50107.8L4K2-L4 PolarHBondContact O-N 3.22Å
3R48.3Very low75.9Confident213 Ų21393.5 Ų93.580%0.80453%0.525SS*.  trans-73.391.5163.4-147.7179.8-168.1-147.77.4104.5X1 D5G1-R3 VanDerWaalsContact C-N 3.3Å; G1-R3 PolarHBondContact O-N 2.74Å; R3-D5 WeakPolarHBondContact CD-OD1 3.26Å; R3-D5 IonicContact NE-OD1 3.94Å; R3-D5 IonicContact NH1-OD1 3.68Å; R3-D5 PolarHBondContact O-N 3.45Å
4L49.6Very low77.4Confident145 Ų14592.4 Ų92.476%0.75952%0.517SS*.  trans-66.896156.6-65.5174.7000102.9K2 A6K2-L4 PolarHBondContact O-N 3.22Å; L4-A6 PolarHBondContact O-N 2.96Å
5D59.6Low78.7Confident124 Ų12492.6 Ų92.666%0.66351%0.51SS*.  trans-58.192169.6-68.4-44.6000105.9R3 D7R3-D5 WeakPolarHBondContact CD-OD1 3.26Å; R3-D5 IonicContact NE-OD1 3.94Å; R3-D5 IonicContact NH1-OD1 3.68Å; R3-D5 PolarHBondContact O-N 3.45Å; D5-D7 PolarHBondContact O-N 3.48Å
6A79.8Confident79.7Confident77 Ų7790.9 Ų90.964%0.63650%0.5SS*.  trans-64.3120.7179.700000106.4L4 I8L4-A6 PolarHBondContact O-N 2.96Å; A6-I8 WeakPolarHBondContact O-CG2 3.31Å; A6-I8 PolarHBondContact O-N 2.96Å
7D88.7Confident80.7Confident67 Ų6786.4 Ų86.436%0.35848%0.476SS..  trans-59.7105.2174.8-176.5-1.6000109D5 S9 K11 K96D5-D7 PolarHBondContact O-N 3.48Å; D7-S9 VanDerWaalsContact OD1-CB 3.28Å; D7-S9 WeakPolarHBondContact OD1-CB 3.45Å; D7-S9 PolarHBondContact OD1-N 2.93Å; D7-S9 PolarHBondContact OD1-OG 2.98Å; D7-K11 WeakPolarHBondContact O-CE 3.23Å; D7-K11 PolarHBondContact O-NZ 3.48Å; D7-K96 WeakPolarHBondContact OD2-CE 3.41Å; D7-K96 IonicContact OD2-NZ 3.78Å
8I93.4Very high81.3Confident57 Ų5784.9 Ų84.929%0.29247%0.472SS..  trans-100.618178.956173.5000112A6 F37 F38 N94A6-I8 WeakPolarHBondContact O-CG2 3.31Å; A6-I8 PolarHBondContact O-N 2.96Å; I8-F37 VanDerWaalsContact O-CA 3.25Å; I8-F37 WeakPolarHBondContact O-CA 3.3Å; I8-F38 HydrophobicContact CB-CB 4.38Å; I8-F38 HydrophobicContact CD1-CB 4.38Å; I8-F38 HydrophobicContact CD1-CD1 4.37Å; I8-F38 PolarHBondContact O-N 3.14Å; I8-N94 HydrophobicContact CD1-CB 4.46Å; I8-N94 VanDerWaalsContact CD1-ND2 3.29Å; I8-N94 WeakPolarHBondContact CD1-ND2 3.34Å; I8-N94 HydrophobicContact CG1-CB 3.99Å
9S96Very high81.8Confident9 Ų985.3 Ų85.36%0.06348%0.477CS..SBendtrans-71.5153.4166.866.50000111D7 K11 N94D7-S9 VanDerWaalsContact OD1-CB 3.28Å; D7-S9 WeakPolarHBondContact OD1-CB 3.45Å; D7-S9 PolarHBondContact OD1-N 2.93Å; D7-S9 PolarHBondContact OD1-OG 2.98Å; S9-K11 PolarHBondContact O-N 3.44Å; S9-N94 WeakPolarHBondContact CB-O 3.24Å
10P97.5Very high82.3Confident1 Ų184.5 Ų84.51%0.00648%0.481CS..  trans-53.9123.9174-26.235.3000112.7P12 L34 F37 I42 V90 H92 N95 Q101P10-P12 WeakPolarHBondContact O-CD 3.33Å; P10-L34 HydrophobicContact CB-CB 4.25Å; P10-L34 HydrophobicContact CB-CD2 4.1Å; P10-F37 HydrophobicContact CB-CB 4.23Å; P10-F37 HydrophobicContact CB-CD1 4.25Å; P10-F37 HydrophobicContact CB-CG 4.43Å; P10-F37 HydrophobicContact CG-CB 3.79Å; P10-F37 HydrophobicContact CG-CD1 4.32Å; P10-F37 HydrophobicContact CG-CG 4.05Å; P10-I42 HydrophobicContact CB-CD1 4.07Å; P10-I42 HydrophobicContact CG-CD1 3.56Å; P10-V90 HydrophobicContact CB-CG1 4.04Å; P10-V90 HydrophobicContact CG-CG1 3.9Å; P10-H92 HydrophobicContact CG-CB 3.66Å; P10-N95 WeakPolarHBondContact CD-OD1 3.48Å; P10-Q101 PolarHBondContact O-NE2 2.87Å; P10-Q101 VanDerWaalsContact O-NE2 3.16Å; P10-Q101 PolarHBondContact O-OE1 2.86Å
11K96.5Very high82.8Confident84 Ų8482 Ų8237%0.36547%0.466SS..EExtended strand (participates in β ladder)trans-98.2112.5176.3-65.5176.3-171.2158.20108.7D7 S9 E35 K36D7-K11 WeakPolarHBondContact O-CE 3.23Å; D7-K11 PolarHBondContact O-NZ 3.48Å; S9-K11 PolarHBondContact O-N 3.44Å; K11-E35 WeakPolarHBondContact CB-O 3.41Å; K11-E35 PolarHBondContact N-O 2.88Å; K11-E35 PolarHBondContact O-N 3.19Å; K11-K36 HydrophobicContact CD-CB 4.23Å; K11-K36 HydrophobicContact CD-CD 4.27Å
12P97.7Very high85.4Confident52 Ų5276.6 Ų76.634%0.33841%0.407SS..EExtended strand (participates in β ladder)trans-86.3135.2-174.632.9-34.9000112.4P10 L33 L34 I103P10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-L33 CarbonylContact C-O 3.49Å; P12-L33 VanDerWaalsContact CA-O 3.31Å; P12-L33 WeakPolarHBondContact CA-O 3.15Å; P12-L34 HydrophobicContact CB-CD2 4.02Å; P12-I103 HydrophobicContact CB-CD1 3.42Å; P12-I103 VanDerWaalsContact CB-CD1 3.42Å; P12-I103 HydrophobicContact CB-CG1 3.92Å; P12-I103 HydrophobicContact CB-CG2 4.32Å; P12-I103 HydrophobicContact CG-CD1 3.99Å; P12-I103 HydrophobicContact CG-CG1 4.01Å
13T97.9Very high87.6Confident56 Ų5672 Ų7234%0.34439%0.392SS..EExtended strand (participates in β ladder)trans-114.5124162.3-60.20000107.8F15 L33 E35T13-F15 HydrophobicContact CG2-CD2 4.45Å; T13-F15 HydrophobicContact CG2-CE2 3.67Å; T13-F15 HydrophobicContact CG2-CZ 3.75Å; T13-L33 PolarHBondContact N-O 2.92Å; T13-L33 PolarHBondContact O-N 2.98Å; T13-E35 PolarHBondContact OG1-OE2 3.25Å
14I96.7Very high89.7Confident79 Ų7968.1 Ų68.141%0.40539%0.387SS..EExtended strand (participates in β ladder)trans-98.9139-176.867171.9000111.1I103 F105I14-I103 HydrophobicContact CG2-CG2 3.42Å; I14-I103 VanDerWaalsContact CG2-CG2 3.42Å; I14-F105 HydrophobicContact CB-CD1 4.39Å; I14-F105 HydrophobicContact CB-CE1 3.65Å; I14-F105 HydrophobicContact CB-CZ 3.78Å; I14-F105 HydrophobicContact CG2-CE1 3.95Å; I14-F105 HydrophobicContact CG2-CE2 4.05Å; I14-F105 HydrophobicContact CG2-CZ 3.55Å
15F97.1Very high91.8Very high95 Ų9567.2 Ų67.242%0.41738%0.378SS..EExtended strand (participates in β ladder)trans-125.2132.1172.7-59.8-93.5000109.2T13 L31 L33T13-F15 HydrophobicContact CG2-CD2 4.45Å; T13-F15 HydrophobicContact CG2-CE2 3.67Å; T13-F15 HydrophobicContact CG2-CZ 3.75Å; F15-L31 HydrophobicContact CB-CB 4.03Å; F15-L31 HydrophobicContact CB-CD2 4.19Å; F15-L31 HydrophobicContact CB-CG 4.42Å; F15-L31 HydrophobicContact CD2-CB 4.49Å; F15-L31 HydrophobicContact CD2-CD2 3.73Å; F15-L31 HydrophobicContact CD2-CG 4.02Å; F15-L31 HydrophobicContact CE2-CD2 4.35Å; F15-L31 HydrophobicContact CG-CD2 4.06Å; F15-L31 PolarHBondContact N-O 3.07Å; F15-L31 PolarHBondContact O-N 2.96Å; F15-L33 HydrophobicContact CE2-CB 4Å; F15-L33 HydrophobicContact CE2-CD2 4.4Å
16L95.8Very high93.4Very high66 Ų6666 Ų6635%0.34637%0.367SS..  trans-94.2156179.3-57.9-176.8000110.9S18 Y30 F105 P106 V111L16-S18 PolarHBondContact O-N 3.48Å; L16-Y30 HydrophobicContact CD2-CD1 4.27Å; L16-Y30 HydrophobicContact CD2-CE1 4.42Å; L16-F105 HydrophobicContact CD2-CD1 3.96Å; L16-P106 HydrophobicContact CD1-CG 4.13Å; L16-P106 HydrophobicContact CD2-CG 4.11Å; L16-V111 HydrophobicContact CD1-CG1 4.45Å; L16-V111 HydrophobicContact CD1-CG2 4.07Å
17P95.6Very high94.2Very high14 Ų1464.3 Ų64.39%0.09135%0.349CS..  trans-45.3136.2170-30.830.8000113.1T22 T29 Y30 I108P17-T22 HydrophobicContact CB-CG2 3.68Å; P17-T29 WeakPolarHBondContact CA-O 3.48Å; P17-T29 WeakPolarHBondContact CD-O 3.48Å; P17-Y30 VanDerWaalsContact CD-CD1 3.45Å; P17-Y30 HydrophobicContact CG-CD1 4.03Å; P17-Y30 HydrophobicContact CG-CD2 4.3Å; P17-Y30 HydrophobicContact CG-CE1 3.91Å; P17-Y30 HydrophobicContact CG-CE2 4.17Å; P17-Y30 HydrophobicContact CG-CG 4.25Å; P17-I108 HydrophobicContact CB-CD1 4.12Å; P17-I108 HydrophobicContact CB-CG1 4.49Å; P17-I108 HydrophobicContact CG-CD1 3.87Å; P17-I108 HydrophobicContact CG-CG1 4.23Å
18S92.4Very high94.5Very high60 Ų6061.1 Ų61.142%0.4233%0.332SS..  trans-73.9148.1178.1780000111.2L16 A20 E21 T22L16-S18 PolarHBondContact O-N 3.48Å; S18-A20 PolarHBondContact O-N 3.06Å; S18-E21 PolarHBondContact O-N 3.41Å; S18-E21 WeakPolarHBondContact OG-CB 3.43Å; S18-E21 PolarHBondContact OG-N 3.38Å; S18-T22 WeakPolarHBondContact O-CG2 3.42Å; S18-T22 PolarHBondContact O-N 3.11Å; S18-T22 PolarHBondContact O-OG1 2.78Å
19V90.8Very high94.7Very high91 Ų9160.2 Ų60.255%0.55233%0.329SS*.Hα-helixtrans-60-31.6174.3176.30000111.3T22 N23V19-T22 WeakPolarHBondContact CA-OG1 3.37Å; V19-T22 PolarHBondContact O-OG1 2.97Å; V19-N23 WeakPolarHBondContact CG1-ND2 3.5Å; V19-N23 WeakPolarHBondContact O-CB 3.28Å; V19-N23 VanDerWaalsContact O-CG 3.23Å; V19-N23 PolarHBondContact O-N 3.05Å; V19-N23 PolarHBondContact O-ND2 2.96Å
20A90.9Very high94.8Very high69 Ų6959.8 Ų59.857%0.5733%0.326SS*.Hα-helixtrans-68.7-48.6177.500000111.8S18 N23 L24S18-A20 PolarHBondContact O-N 3.06Å; A20-N23 PolarHBondContact O-N 3.49Å; A20-L24 VanDerWaalsContact O-CB 3.24Å; A20-L24 WeakPolarHBondContact O-CB 3.49Å; A20-L24 PolarHBondContact O-N 3.32Å
21E93.5Very high94.9Very high32 Ų3262.3 Ų62.315%0.1534%0.339CS..Hα-helixtrans-58.2-50.6177.7-176.5-163.3-176.700111.2S18 N23 L24 H25 K26 T29S18-E21 PolarHBondContact O-N 3.41Å; S18-E21 WeakPolarHBondContact OG-CB 3.43Å; S18-E21 PolarHBondContact OG-N 3.38Å; E21-N23 VanDerWaalsContact C-N 3.29Å; E21-N23 PolarHBondContact O-N 2.88Å; E21-L24 PolarHBondContact O-N 3.19Å; E21-H25 PolarHBondContact O-N 3.3Å; E21-K26 PolarHBondContact O-N 3.11Å; E21-T29 VanDerWaalsContact CD-N 3.35Å; E21-T29 WeakPolarHBondContact OE1-CB 3.05Å; E21-T29 PolarHBondContact OE1-N 2.93Å; E21-T29 PolarHBondContact OE1-OG1 3.36Å; E21-T29 PolarHBondContact OE2-N 3.32Å
22T92.4Very high94.9Very high16 Ų1658.3 Ų58.310%0.09832%0.322CS..Hα-helixtrans-63.7-33.1-177.253.70000113P17 S18 V19 T27 M82P17-T22 HydrophobicContact CB-CG2 3.68Å; S18-T22 WeakPolarHBondContact O-CG2 3.42Å; S18-T22 PolarHBondContact O-N 3.11Å; S18-T22 PolarHBondContact O-OG1 2.78Å; V19-T22 WeakPolarHBondContact CA-OG1 3.37Å; V19-T22 PolarHBondContact O-OG1 2.97Å; T22-T27 VanDerWaalsContact CA-O 3.31Å; T22-T27 WeakPolarHBondContact CA-O 3.34Å; T22-T27 PolarHBondContact N-O 3.15Å; T22-M82 HydrophobicContact CG2-CE 4.13Å; T22-M82 HydrophobicContact CG2-SD 3.53Å; T22-M82 VanDerWaalsContact CG2-SD 3.53Å
23N90Very high95Very high104 Ų10457.6 Ų57.656%0.55632%0.315SS*.Hα-helixtrans-80.3-43.6177.1-74.1-32.3000113.1V19 A20 E21V19-N23 WeakPolarHBondContact CG1-ND2 3.5Å; V19-N23 WeakPolarHBondContact O-CB 3.28Å; V19-N23 VanDerWaalsContact O-CG 3.23Å; V19-N23 PolarHBondContact O-N 3.05Å; V19-N23 PolarHBondContact O-ND2 2.96Å; A20-N23 PolarHBondContact O-N 3.49Å; E21-N23 VanDerWaalsContact C-N 3.29Å; E21-N23 PolarHBondContact O-N 2.88Å
24L92.5Very high95Very high133 Ų13355 Ų5570%0.69630%0.299SS*.Hα-helixtrans-82.5-46-172.6-177.162.2000112.6A20 E21A20-L24 VanDerWaalsContact O-CB 3.24Å; A20-L24 WeakPolarHBondContact O-CB 3.49Å; A20-L24 PolarHBondContact O-N 3.32Å; E21-L24 PolarHBondContact O-N 3.19Å
25H93.6Very high95Very high125 Ų12553.7 Ų53.758%0.57929%0.291SS*.THydrogen-bonded Turntrans-102.6-9.3-172.7-62.6-57.4000113.5E21 T27E21-H25 PolarHBondContact O-N 3.3Å; H25-T27 PolarHBondContact O-N 3.47Å
26K93.3Very high94.9Very high100 Ų10054.8 Ų54.844%0.43530%0.296SS..SBendtrans55.431.4-176.4-56.2-60.5-173.3174.60112.8E21 E79E21-K26 PolarHBondContact O-N 3.11Å; K26-E79 HydrophobicContact CB-CB 4.41Å; K26-E79 IonicContact NZ-OE1 3.84Å; K26-E79 WeakPolarHBondContact O-CB 3.36Å; K26-E79 PolarHBondContact O-N 3.06Å
27T95.5Very high95Very high41 Ų4151.7 Ų51.725%0.25228%0.279SS..EExtended strand (participates in β ladder)trans-127.4161.8174.256.30000109.4T22 H25 V77T22-T27 VanDerWaalsContact CA-O 3.31Å; T22-T27 WeakPolarHBondContact CA-O 3.34Å; T22-T27 PolarHBondContact N-O 3.15Å; H25-T27 PolarHBondContact O-N 3.47Å; T27-V77 CarbonylContact C-O 3.55Å; T27-V77 VanDerWaalsContact CA-O 3.29Å; T27-V77 WeakPolarHBondContact CA-O 3.25Å
28G95.9Very high95Very high0 Ų055.4 Ų55.40%030%0.295CS..EExtended strand (participates in β ladder)trans-136.5129.6171.700000111.5T76 V77G28-T76 WeakPolarHBondContact O-CA 3.32Å; G28-V77 PolarHBondContact N-O 3.36Å; G28-V77 PolarHBondContact O-N 3.44Å
29T97.6Very high95.2Very high38 Ų3853.5 Ų53.523%0.23328%0.28CS..EExtended strand (participates in β ladder)trans-102.2113.1176.6-60.70000110.7P17 E21 W74 L75 T76P17-T29 WeakPolarHBondContact CA-O 3.48Å; P17-T29 WeakPolarHBondContact CD-O 3.48Å; E21-T29 VanDerWaalsContact CD-N 3.35Å; E21-T29 WeakPolarHBondContact OE1-CB 3.05Å; E21-T29 PolarHBondContact OE1-N 2.93Å; E21-T29 PolarHBondContact OE1-OG1 3.36Å; E21-T29 PolarHBondContact OE2-N 3.32Å; T29-W74 HydrophobicContact CG2-CB 4.03Å; T29-W74 HydrophobicContact CG2-CG 4.33Å; T29-L75 WeakPolarHBondContact CA-O 3.32Å; T29-T76 PolarHBondContact OG1-OG1 2.97Å
30Y98.1Very high95.5Very high0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-88.2132.1169-59.6-85.4000108.8L16 P17 W74 L75 V77 H86 F105 I108L16-Y30 HydrophobicContact CD2-CD1 4.27Å; L16-Y30 HydrophobicContact CD2-CE1 4.42Å; P17-Y30 VanDerWaalsContact CD-CD1 3.45Å; P17-Y30 HydrophobicContact CG-CD1 4.03Å; P17-Y30 HydrophobicContact CG-CD2 4.3Å; P17-Y30 HydrophobicContact CG-CE1 3.91Å; P17-Y30 HydrophobicContact CG-CE2 4.17Å; P17-Y30 HydrophobicContact CG-CG 4.25Å; Y30-W74 CarbonylContact O-C 3.51Å; Y30-W74 WeakPolarHBondContact O-CA 3.4Å; Y30-W74 VanDerWaalsContact O-CB 3.27Å; Y30-W74 WeakPolarHBondContact O-CB 3.47Å; Y30-L75 HydrophobicContact CD2-CD2 4.49Å; Y30-L75 PolarHBondContact N-O 3.42Å; Y30-L75 PolarHBondContact O-N 2.77Å; Y30-V77 HydrophobicContact CD2-CG2 4.4Å; Y30-V77 HydrophobicContact CE2-CG1 4.48Å; Y30-V77 HydrophobicContact CE2-CG2 3.74Å; Y30-H86 AromaticContact CE2-CE1 3.74Å; Y30-H86 AromaticContact CE2-ND1 3.56Å; Y30-H86 AromaticContact CZ-ND1 3.66Å; Y30-F105 HydrophobicContact CD1-CB 3.9Å; Y30-F105 AromaticContact CD1-CD1 3.65Å; Y30-F105 HydrophobicContact CD1-CD1 3.65Å; Y30-F105 HydrophobicContact CD1-CG 4.1Å; Y30-F105 HydrophobicContact CE1-CB 4.18Å; Y30-F105 HydrophobicContact CG-CD1 4.25Å; Y30-I108 HydrophobicContact CE1-CD1 4.42Å
31L98.4Very high95.8Very high53 Ų5354.5 Ų54.528%0.27728%0.277SS..EExtended strand (participates in β ladder)trans-126.2133.1-179166.979.2000109.8F15 F72 W74F15-L31 HydrophobicContact CB-CB 4.03Å; F15-L31 HydrophobicContact CB-CD2 4.19Å; F15-L31 HydrophobicContact CB-CG 4.42Å; F15-L31 HydrophobicContact CD2-CB 4.49Å; F15-L31 HydrophobicContact CD2-CD2 3.73Å; F15-L31 HydrophobicContact CD2-CG 4.02Å; F15-L31 HydrophobicContact CE2-CD2 4.35Å; F15-L31 HydrophobicContact CG-CD2 4.06Å; F15-L31 PolarHBondContact N-O 3.07Å; F15-L31 PolarHBondContact O-N 2.96Å; L31-F72 HydrophobicContact CD1-CB 4.16Å; L31-W74 HydrophobicContact CB-CB 4.24Å; L31-W74 HydrophobicContact CD1-CB 3.94Å; L31-W74 HydrophobicContact CD1-CE3 4.45Å
32C98.4Very high96Very high0 Ų054.1 Ų54.10%028%0.276CS..EExtended strand (participates in β ladder)trans-116.9114.4175.3-172.40000108.9W46 F72 S73 C88 I103 F105C32-W46 HydrophobicContact CB-CH2 3.99Å; C32-W46 HydrophobicContact CB-CZ2 3.68Å; C32-F72 WeakPolarHBondContact O-CA 3.26Å; C32-S73 PolarHBondContact N-O 3.33Å; C32-S73 PolarHBondContact O-N 3.48Å; C32-C88 HydrophobicContact CB-CB 4.28Å; C32-I103 VanDerWaalsContact SG-CD1 3.55Å; C32-F105 HydrophobicContact CB-CE2 4.43Å; C32-F105 HydrophobicContact CB-CZ 3.96Å
33L98.4Very high96.3Very high38 Ų3860.6 Ų60.620%0.19930%0.298CS..EExtended strand (participates in β ladder)trans-96.7123.7171.4173.563.4000108.6P12 T13 F15 E35P12-L33 CarbonylContact C-O 3.49Å; P12-L33 VanDerWaalsContact CA-O 3.31Å; P12-L33 WeakPolarHBondContact CA-O 3.15Å; T13-L33 PolarHBondContact N-O 2.92Å; T13-L33 PolarHBondContact O-N 2.98Å; F15-L33 HydrophobicContact CE2-CB 4Å; F15-L33 HydrophobicContact CE2-CD2 4.4Å; L33-E35 HydrophobicContact CD1-CG 4.08Å; L33-E35 HydrophobicContact CD2-CG 3.98Å; L33-E35 HydrophobicContact CG-CG 3.67Å
34L98.3Very high96.7Very high0 Ų055.8 Ų55.80%027%0.273CS..EExtended strand (participates in β ladder)trans-109.9123179.3-60.5171000108.4P10 P12 F37 I42 V44 M70 K71 V90 I103P10-L34 HydrophobicContact CB-CB 4.25Å; P10-L34 HydrophobicContact CB-CD2 4.1Å; P12-L34 HydrophobicContact CB-CD2 4.02Å; L34-F37 HydrophobicContact CB-CD1 4.35Å; L34-F37 HydrophobicContact CB-CE1 4.07Å; L34-F37 WeakPolarHBondContact O-CE1 3.45Å; L34-I42 HydrophobicContact CB-CD1 4.48Å; L34-I42 HydrophobicContact CD1-CD1 3.69Å; L34-V44 HydrophobicContact CD1-CG2 3.49Å; L34-V44 VanDerWaalsContact CD1-CG2 3.49Å; L34-M70 CarbonylContact O-C 3.58Å; L34-M70 WeakPolarHBondContact O-CA 3.28Å; L34-M70 WeakPolarHBondContact O-CB 3.49Å; L34-K71 PolarHBondContact N-O 2.86Å; L34-K71 PolarHBondContact O-N 3.43Å; L34-V90 HydrophobicContact CD1-CB 4.47Å; L34-V90 HydrophobicContact CD1-CG1 3.89Å; L34-V90 HydrophobicContact CD1-CG2 3.69Å; L34-V90 HydrophobicContact CD2-CG1 4.46Å; L34-V90 HydrophobicContact CD2-CG2 3.75Å; L34-V90 HydrophobicContact CG-CG2 4.37Å; L34-I103 HydrophobicContact CD2-CD1 3.93Å
35E97Very high96.9Very high53 Ų5350.8 Ų50.825%0.24825%0.245CC..EExtended strand (participates in β ladder)trans-129.2160.6-171.8-54.8-178.984.800112.6K11 T13 L33 F37 M70K11-E35 WeakPolarHBondContact CB-O 3.41Å; K11-E35 PolarHBondContact N-O 2.88Å; K11-E35 PolarHBondContact O-N 3.19Å; T13-E35 PolarHBondContact OG1-OE2 3.25Å; L33-E35 HydrophobicContact CD1-CG 4.08Å; L33-E35 HydrophobicContact CD2-CG 3.98Å; L33-E35 HydrophobicContact CG-CG 3.67Å; E35-F37 PolarHBondContact O-N 3.39Å; E35-M70 HydrophobicContact CG-CB 4.47Å; E35-M70 HydrophobicContact CG-CE 4.49Å
36K95.4Very high97.2Very high118 Ų11844.8 Ų44.851%0.51322%0.217SC..EExtended strand (participates in β ladder)trans59.331.3169-57.8176.2-179.1172.50113.9K11 Y69K11-K36 HydrophobicContact CD-CB 4.23Å; K11-K36 HydrophobicContact CD-CD 4.27Å; K36-Y69 PolarHBondContact N-O 2.92Å
37F96.6Very high97.4Very high0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-100.1155177.164.4-92000112.5I8 P10 L34 E35 P39 I42 T62 Y69 K71 H92I8-F37 VanDerWaalsContact O-CA 3.25Å; I8-F37 WeakPolarHBondContact O-CA 3.3Å; P10-F37 HydrophobicContact CB-CB 4.23Å; P10-F37 HydrophobicContact CB-CD1 4.25Å; P10-F37 HydrophobicContact CB-CG 4.43Å; P10-F37 HydrophobicContact CG-CB 3.79Å; P10-F37 HydrophobicContact CG-CD1 4.32Å; P10-F37 HydrophobicContact CG-CG 4.05Å; L34-F37 HydrophobicContact CB-CD1 4.35Å; L34-F37 HydrophobicContact CB-CE1 4.07Å; L34-F37 WeakPolarHBondContact O-CE1 3.45Å; E35-F37 PolarHBondContact O-N 3.39Å; F37-P39 VanDerWaalsContact CD2-O 3.25Å; F37-P39 WeakPolarHBondContact CD2-O 3.38Å; F37-I42 HydrophobicContact CD1-CD1 4.3Å; F37-I42 HydrophobicContact CD2-CD1 4.29Å; F37-I42 HydrophobicContact CE1-CD1 4.04Å; F37-I42 HydrophobicContact CE2-CB 4.08Å; F37-I42 HydrophobicContact CE2-CD1 4.05Å; F37-I42 HydrophobicContact CE2-CG2 3.92Å; F37-I42 HydrophobicContact CG-CD1 4.42Å; F37-I42 HydrophobicContact CZ-CB 4.43Å; F37-I42 HydrophobicContact CZ-CD1 3.94Å; F37-I42 HydrophobicContact CZ-CG2 3.91Å; F37-T62 HydrophobicContact CE2-CG2 4.23Å; F37-T62 HydrophobicContact CZ-CG2 3.98Å; F37-Y69 VanDerWaalsContact CD1-O 3.32Å; F37-Y69 WeakPolarHBondContact CD1-O 3.41Å; F37-Y69 WeakPolarHBondContact CE1-O 3.47Å; F37-Y69 PolarHBondContact N-O 3.44Å; F37-Y69 PolarHBondContact O-N 3.22Å; F37-K71 HydrophobicContact CE1-CB 4.2Å; F37-K71 HydrophobicContact CZ-CB 4Å; F37-H92 AromaticContact CD2-NE2 3.79Å
38F96.2Very high97.5Very high93 Ų9342.1 Ų42.141%0.40820%0.203SC..SBendtrans-150.4137.8172.3178.5-83.2000108.3I8 Y69 H92 N94I8-F38 HydrophobicContact CB-CB 4.38Å; I8-F38 HydrophobicContact CD1-CB 4.38Å; I8-F38 HydrophobicContact CD1-CD1 4.37Å; I8-F38 PolarHBondContact O-N 3.14Å; F38-Y69 HydrophobicContact CD2-CD2 4.11Å; F38-Y69 AromaticContact CD2-CE2 3.6Å; F38-Y69 HydrophobicContact CD2-CE2 3.6Å; F38-Y69 AromaticContact CE2-CE2 3.96Å; F38-Y69 HydrophobicContact CE2-CE2 3.96Å; F38-H92 PolarHBondContact O-CE1 3.24Å; F38-H92 PolarHBondContact O-NE2 3.41Å; F38-N94 PolarHBondContact O-ND2 2.85Å
39P96.3Very high97.5Very high19 Ų1946.3 Ų46.312%0.12322%0.221CC..SBendcis-75.4-179.5-0.633.9-38.5000112F37 V41 H92 E93F37-P39 VanDerWaalsContact CD2-O 3.25Å; F37-P39 WeakPolarHBondContact CD2-O 3.38Å; P39-V41 VanDerWaalsContact C-N 3.28Å; P39-V41 PolarHBondContact O-N 3.34Å; P39-H92 PolarHBondContact O-NE2 3.41Å; P39-E93 WeakPolarHBondContact CD-OE1 3.28Å; P39-E93 VanDerWaalsContact CG-CD 3.44Å; P39-E93 HydrophobicContact CG-CG 3.95Å; P39-E93 WeakPolarHBondContact CG-OE1 3.36Å
40D96.7Very high97.3Very high73 Ų7351.8 Ų51.839%0.3925%0.249SC..SBendtrans-71.9-16.1-178.162.4-32.2000114.7I42 T62 Y69D40-I42 PolarHBondContact O-N 3Å; D40-T62 HydrophobicContact CB-CG2 3.92Å; D40-Y69 HydrophobicContact CB-CD1 3.62Å; D40-Y69 HydrophobicContact CB-CD2 3.83Å; D40-Y69 HydrophobicContact CB-CE1 3.63Å; D40-Y69 HydrophobicContact CB-CE2 3.85Å; D40-Y69 HydrophobicContact CB-CG 3.71Å
41V97.5Very high97.1Very high109 Ų10952.5 Ų52.566%0.66126%0.257SS*.  trans-72.1109178.2-175.40000110.2P39 H92P39-V41 VanDerWaalsContact C-N 3.28Å; P39-V41 PolarHBondContact O-N 3.34Å; V41-H92 PolarHBondContact O-CD2 2.91Å
42I97.9Very high96.9Very high23 Ų2356.4 Ų56.412%0.11828%0.278CS..  trans-144.1145-178.1-168.7170.4000109.4P10 L34 F37 D40 V44 K71 V90 H92P10-I42 HydrophobicContact CB-CD1 4.07Å; P10-I42 HydrophobicContact CG-CD1 3.56Å; L34-I42 HydrophobicContact CB-CD1 4.48Å; L34-I42 HydrophobicContact CD1-CD1 3.69Å; F37-I42 HydrophobicContact CD1-CD1 4.3Å; F37-I42 HydrophobicContact CD2-CD1 4.29Å; F37-I42 HydrophobicContact CE1-CD1 4.04Å; F37-I42 HydrophobicContact CE2-CB 4.08Å; F37-I42 HydrophobicContact CE2-CD1 4.05Å; F37-I42 HydrophobicContact CE2-CG2 3.92Å; F37-I42 HydrophobicContact CG-CD1 4.42Å; F37-I42 HydrophobicContact CZ-CB 4.43Å; F37-I42 HydrophobicContact CZ-CD1 3.94Å; F37-I42 HydrophobicContact CZ-CG2 3.91Å; D40-I42 PolarHBondContact O-N 3Å; I42-V44 HydrophobicContact CG1-CG2 4.37Å; I42-K71 HydrophobicContact CG2-CD 3.48Å; I42-K71 VanDerWaalsContact CG2-CD 3.48Å; I42-V90 HydrophobicContact CD1-CG1 3.64Å; I42-V90 HydrophobicContact CG1-CG1 3.87Å; I42-H92 HydrophobicContact CG1-CB 4.35Å
43R97.8Very high96.9Very high152 Ų15261.8 Ų61.857%0.57431%0.311SS*.EExtended strand (participates in β ladder)trans-123.7128.1172.9179.9178.6-176.1174.44110.1K91R43-K91 HydrophobicContact CB-CB 4.19Å; R43-K91 PolarHBondContact N-O 2.88Å; R43-K91 PolarHBondContact O-N 3.4Å
44V98.6Very high96.9Very high4 Ų464.4 Ų64.42%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-119.3137.9-179.6-168.20000109L34 I42 K71 C88 I89 V90L34-V44 HydrophobicContact CD1-CG2 3.49Å; L34-V44 VanDerWaalsContact CD1-CG2 3.49Å; I42-V44 HydrophobicContact CG1-CG2 4.37Å; V44-K71 HydrophobicContact CG2-CD 4.46Å; V44-C88 WeakPolarHBondContact CG1-SG 3.46Å; V44-I89 WeakPolarHBondContact CA-O 3.45Å; V44-V90 HydrophobicContact CG1-CG2 4.39Å
45Y98.5Very high96.9Very high27 Ų2766.3 Ų66.311%0.10633%0.334CS..EExtended strand (participates in β ladder)trans-153.6157.2174.160.8-83.1000110.7K47 I54 I89 K91 D100Y45-K47 HydrophobicContact CD2-CG 4.41Å; Y45-K47 HydrophobicContact CE2-CD 4.27Å; Y45-I54 HydrophobicContact CD2-CD1 4.36Å; Y45-I54 HydrophobicContact CD2-CG1 4.13Å; Y45-I89 HydrophobicContact CD1-CB 4.28Å; Y45-I89 HydrophobicContact CD2-CB 4.1Å; Y45-I89 HydrophobicContact CD2-CD1 3.89Å; Y45-I89 HydrophobicContact CD2-CG1 4.43Å; Y45-I89 HydrophobicContact CE1-CB 3.83Å; Y45-I89 HydrophobicContact CE1-CG2 3.75Å; Y45-I89 HydrophobicContact CE2-CB 3.64Å; Y45-I89 HydrophobicContact CE2-CD1 3.71Å; Y45-I89 HydrophobicContact CE2-CG1 3.89Å; Y45-I89 HydrophobicContact CE2-CG2 4.04Å; Y45-I89 HydrophobicContact CG-CB 4.41Å; Y45-I89 VanDerWaalsContact CZ-CG2 3.42Å; Y45-I89 PolarHBondContact N-O 2.93Å; Y45-I89 WeakPolarHBondContact O-CD1 3.42Å; Y45-I89 PolarHBondContact O-N 2.77Å; Y45-I89 VanDerWaalsContact OH-CG2 3.27Å; Y45-I89 WeakPolarHBondContact OH-CG2 3.32Å; Y45-K91 HydrophobicContact CE1-CD 4.05Å; Y45-K91 HydrophobicContact CE1-CG 4.01Å; Y45-D100 PolarHBondContact OH-OD2 3.44Å
46W98.7Very high96.9Very high0 Ų071.2 Ų71.20%036%0.362CS..EExtended strand (participates in β ladder)trans-116146.6-172.7-66.373.1000112C32 I54 L55 S73 L75 R87 C88 F105C32-W46 HydrophobicContact CB-CH2 3.99Å; C32-W46 HydrophobicContact CB-CZ2 3.68Å; W46-I54 WeakPolarHBondContact O-CA 3.29Å; W46-L55 HydrophobicContact CB-CB 4.22Å; W46-L55 PolarHBondContact O-N 3.45Å; W46-S73 PolarHBondContact NE1-OG 2.87Å; W46-L75 HydrophobicContact CB-CB 4.44Å; W46-L75 HydrophobicContact CB-CD1 4.34Å; W46-L75 HydrophobicContact CB-CD2 4.07Å; W46-L75 HydrophobicContact CD2-CB 3.65Å; W46-L75 HydrophobicContact CD2-CD2 4.17Å; W46-L75 HydrophobicContact CD2-CG 4.46Å; W46-L75 HydrophobicContact CE3-CB 3.77Å; W46-L75 HydrophobicContact CE3-CD2 3.74Å; W46-L75 HydrophobicContact CE3-CG 4.39Å; W46-L75 HydrophobicContact CG-CB 3.97Å; W46-L75 HydrophobicContact CG-CD2 4.34Å; W46-L75 HydrophobicContact CZ2-CB 4.47Å; W46-L75 HydrophobicContact CZ3-CB 4.21Å; W46-L75 HydrophobicContact CZ3-CD2 4.48Å; W46-R87 WeakPolarHBondContact CA-O 3.34Å; W46-C88 HydrophobicContact CD2-CB 3.93Å; W46-C88 HydrophobicContact CE3-CB 3.93Å; W46-C88 HydrophobicContact CH2-CB 3.85Å; W46-C88 HydrophobicContact CZ2-CB 3.82Å; W46-C88 HydrophobicContact CZ3-CB 3.9Å; W46-F105 AromaticContact CH2-CD2 3.99Å; W46-F105 HydrophobicContact CH2-CD2 3.99Å; W46-F105 AromaticContact CH2-CE1 4Å; W46-F105 HydrophobicContact CH2-CE1 4Å; W46-F105 AromaticContact CH2-CE2 3.45Å; W46-F105 HydrophobicContact CH2-CE2 3.45Å; W46-F105 VanDerWaalsContact CH2-CE2 3.45Å; W46-F105 HydrophobicContact CH2-CG 4.49Å; W46-F105 AromaticContact CH2-CZ 3.45Å; W46-F105 HydrophobicContact CH2-CZ 3.45Å; W46-F105 VanDerWaalsContact CH2-CZ 3.45Å; W46-F105 HydrophobicContact CZ2-CZ 4.5Å; W46-F105 HydrophobicContact CZ3-CD1 4.39Å; W46-F105 AromaticContact CZ3-CD2 3.54Å; W46-F105 HydrophobicContact CZ3-CD2 3.54Å; W46-F105 HydrophobicContact CZ3-CE1 4.32Å; W46-F105 AromaticContact CZ3-CE2 3.5Å; W46-F105 HydrophobicContact CZ3-CE2 3.5Å; W46-F105 HydrophobicContact CZ3-CG 4.01Å; W46-F105 AromaticContact CZ3-CZ 3.91Å; W46-F105 HydrophobicContact CZ3-CZ 3.91Å
47K98.4Very high97Very high34 Ų3466.9 Ų66.915%0.14835%0.346CS..EExtended strand (participates in β ladder)trans-140.4156.7173.4-63.4-178.8172.1172.40110.3Y45 N52 H86 R87 I89Y45-K47 HydrophobicContact CD2-CG 4.41Å; Y45-K47 HydrophobicContact CE2-CD 4.27Å; K47-N52 WeakPolarHBondContact CE-O 3.35Å; K47-H86 CarbonylContact O-C 3.48Å; K47-H86 WeakPolarHBondContact O-CA 3.44Å; K47-R87 HydrophobicContact CB-CG 3.97Å; K47-R87 PolarHBondContact N-O 3.38Å; K47-R87 WeakPolarHBondContact O-CG 3.45Å; K47-R87 PolarHBondContact O-N 2.84Å; K47-I89 HydrophobicContact CB-CD1 4.01Å; K47-I89 HydrophobicContact CD-CD1 4.01Å; K47-I89 HydrophobicContact CG-CD1 3.82Å
48E97.4Very high97.1Very high51 Ų5172.2 Ų72.224%0.23837%0.371CS..EExtended strand (participates in β ladder)trans-64.4150.4158.3-62.5-175.1176.400108.8D50 G51 L55 K84 R87E48-D50 VanDerWaalsContact C-N 3.34Å; E48-D50 PolarHBondContact O-N 3.2Å; E48-G51 PolarHBondContact O-N 2.95Å; E48-G51 VanDerWaalsContact O-N 3.08Å; E48-G51 VanDerWaalsContact O-O 3.13Å; E48-L55 HydrophobicContact CG-CD1 4.22Å; E48-L55 HydrophobicContact CG-CD2 4.44Å; E48-K84 HydrophobicContact CG-CD 4.28Å; E48-K84 WeakPolarHBondContact OE1-CD 3.21Å; E48-K84 IonicContact OE1-NZ 2.74Å; E48-K84 PolarHBondContact OE1-NZ 2.89Å; E48-K84 VanDerWaalsContact OE2-CD 3.29Å; E48-K84 WeakPolarHBondContact OE2-CD 3.18Å; E48-K84 IonicContact OE2-NZ 2.73Å; E48-K84 PolarHBondContact OE2-NZ 3.49Å; E48-R87 PolarHBondContact O-NE 3.3Å
49K95.3Very high97.2Very high87 Ų8771.8 Ų71.838%0.37837%0.37SS..THydrogen-bonded Turntrans-55.6-49-178.2-179.2-172.9179.1-168.90112.1G51 E85 F104K49-G51 VanDerWaalsContact C-N 3.29Å; K49-E85 HydrophobicContact CB-CB 3.78Å; K49-E85 HydrophobicContact CD-CB 3.85Å; K49-E85 HydrophobicContact CD-CG 4.48Å; K49-E85 WeakPolarHBondContact CD-OE2 3.29Å; K49-E85 WeakPolarHBondContact CE-OE2 3.37Å; K49-E85 HydrophobicContact CG-CB 4.47Å; K49-E85 PolarHBondContact N-O 3.42Å; K49-E85 IonicContact NZ-OE2 2.82Å; K49-E85 PolarHBondContact NZ-OE2 2.94Å; K49-F104 HydrophobicContact CG-CE1 4.49Å
50D92.8Very high97.2Very high153 Ų15371.2 Ų71.282%0.81837%0.368SS*.THydrogen-bonded Turntrans-91.76.8-179.7-50.5-50.7000112.2E48E48-D50 VanDerWaalsContact C-N 3.34Å; E48-D50 PolarHBondContact O-N 3.2Å
51G94.4Very high97.3Very high16 Ų1673.8 Ų73.817%0.16538%0.382CS..  trans-105.4148.8-177.700000112.8E48 K49 R87E48-G51 PolarHBondContact O-N 2.95Å; E48-G51 VanDerWaalsContact O-N 3.08Å; E48-G51 VanDerWaalsContact O-O 3.13Å; K49-G51 VanDerWaalsContact C-N 3.29Å; G51-R87 PolarHBondContact O-NH2 2.81Å
52N95.3Very high97.3Very high134 Ų13470.8 Ų70.872%0.71736%0.364SS*.  trans-103.5-14.1172.6-73.2-27.7000113.4K47K47-N52 WeakPolarHBondContact CE-O 3.35Å
53T97.5Very high97.3Very high113 Ų11373.8 Ų73.869%0.69338%0.38SS*.SBendtrans-71.8130.2178.2-51.10000110.6
54I97.7Very high97.3Very high94 Ų9473.3 Ų73.348%0.48238%0.382SS..EExtended strand (participates in β ladder)trans-70.2130.8172.3-62.6174.6000108.3Y45 W46Y45-I54 HydrophobicContact CD2-CD1 4.36Å; Y45-I54 HydrophobicContact CD2-CG1 4.13Å; W46-I54 WeakPolarHBondContact O-CA 3.29Å
55L98.1Very high97Very high39 Ų3975 Ų7520%0.20439%0.392CS..EExtended strand (participates in β ladder)trans-85.6152.5176.8-60.5175.1000110.6W46 E48 S57 L75W46-L55 HydrophobicContact CB-CB 4.22Å; W46-L55 PolarHBondContact O-N 3.45Å; E48-L55 HydrophobicContact CG-CD1 4.22Å; E48-L55 HydrophobicContact CG-CD2 4.44Å; L55-S57 PolarHBondContact O-N 2.96Å; L55-S57 VanDerWaalsContact O-N 3.12Å; L55-L75 HydrophobicContact CB-CD1 3.69Å; L55-L75 HydrophobicContact CD1-CD1 4.13Å; L55-L75 HydrophobicContact CD1-CD2 3.6Å
56D97.9Very high96.7Very high157 Ų15780.8 Ų80.884%0.8443%0.425SS*.  trans-72.4103174.4-171.529.5000109.6L75D56-L75 WeakPolarHBondContact O-CD1 3.15Å
57S98.2Very high96.3Very high27 Ų2787.5 Ų87.519%0.18946%0.461CS..  trans-122.8151.7-176.460.10000110.6L55L55-S57 PolarHBondContact O-N 2.96Å; L55-S57 VanDerWaalsContact O-N 3.12Å
58Q98.4Very high96.2Very high112 Ų11287.4 Ų87.452%0.52346%0.463SS..EExtended strand (participates in β ladder)trans-103.8153.3176.9-66.9176.684.300110.5S73 W74Q58-S73 CarbonylContact O-C 3.59Å; Q58-S73 WeakPolarHBondContact O-CA 3.41Å; Q58-S73 PolarHBondContact O-OG 2.87Å; Q58-S73 VanDerWaalsContact O-OG 3.06Å; Q58-W74 HydrophobicContact CB-CD2 3.92Å; Q58-W74 HydrophobicContact CB-CE3 4.44Å; Q58-W74 HydrophobicContact CB-CG 4.42Å; Q58-W74 HydrophobicContact CB-CH2 4.01Å; Q58-W74 HydrophobicContact CB-CZ2 3.44Å; Q58-W74 VanDerWaalsContact CB-CZ2 3.44Å; Q58-W74 HydrophobicContact CB-CZ3 4.43Å; Q58-W74 HydrophobicContact CG-CZ2 4.32Å; Q58-W74 PolarHBondContact N-O 3.41Å; Q58-W74 PolarHBondContact O-N 3.26Å
59E97.9Very high96.3Very high83 Ų8387.1 Ų87.139%0.38846%0.46SS..EExtended strand (participates in β ladder)trans-134.6144.8-179.9-64.6-175.6-106.800109.7K71E59-K71 WeakPolarHBondContact OE2-CE 3.27Å
60G96.8Very high96.4Very high7 Ų785 Ų857%0.07245%0.452CS..PPolyproline II helixtrans-90.7168.2171.600000112K71 F72G60-K71 WeakPolarHBondContact O-CE 3.28Å; G60-K71 PolarHBondContact O-NZ 3.39Å; G60-F72 PolarHBondContact N-O 3.29Å
61D97.5Very high96.7Very high128 Ų12878.9 Ų78.968%0.68442%0.418SS*.PPolyproline II helixtrans-60.9149.9173-65.2-37.9000111.6L63D61-L63 HydrophobicContact CB-CD2 4.3Å; D61-L63 PolarHBondContact O-N 2.96Å
62T98.1Very high96.8Very high46 Ų4681.7 Ų81.728%0.28243%0.426SS..PPolyproline II helixtrans-77.1119.2171-56.40000108.5F37 D40 Y69 M70 K71F37-T62 HydrophobicContact CE2-CG2 4.23Å; F37-T62 HydrophobicContact CZ-CG2 3.98Å; D40-T62 HydrophobicContact CB-CG2 3.92Å; T62-Y69 HydrophobicContact CG2-CD1 4.1Å; T62-Y69 HydrophobicContact CG2-CG 4.3Å; T62-M70 CarbonylContact C-O 3.52Å; T62-M70 WeakPolarHBondContact CA-O 3.48Å; T62-K71 PolarHBondContact OG1-NZ 3.02Å
63L98Very high97Very high85 Ų8575.3 Ų75.345%0.44539%0.392SS..EExtended strand (participates in β ladder)trans-105137.1-176.4-54.1177.9000110.3D61 Y69 M70D61-L63 HydrophobicContact CB-CD2 4.3Å; D61-L63 PolarHBondContact O-N 2.96Å; L63-Y69 CarbonylContact O-C 3.5Å; L63-Y69 VanDerWaalsContact O-CA 3.29Å; L63-Y69 WeakPolarHBondContact O-CA 3.42Å; L63-M70 HydrophobicContact CB-CG 3.84Å; L63-M70 PolarHBondContact N-O 2.9Å; L63-M70 PolarHBondContact O-N 3.08Å
64K97.3Very high97Very high143 Ų14372.7 Ų72.762%0.62237%0.369SS*.EExtended strand (participates in β ladder)trans-77.9129.9173.2-172.4173.4178.7175.90110.2N66 Y69K64-N66 WeakPolarHBondContact CE-O 3.28Å; K64-Y69 HydrophobicContact CB-CD1 4.06Å; K64-Y69 HydrophobicContact CB-CE1 3.95Å; K64-Y69 HydrophobicContact CD-CE1 4.44Å; K64-Y69 HydrophobicContact CG-CD1 4.39Å; K64-Y69 HydrophobicContact CG-CE1 4.08Å
65T93.3Very high97.1Very high39 Ų3968.3 Ų68.324%0.23935%0.347CS..EExtended strand (participates in β ladder)trans-126.2106.1172.347.10000110.9D67 T68 M70T65-D67 PolarHBondContact O-N 3.32Å; T65-T68 CarbonylContact C-O 3.6Å; T65-T68 PolarHBondContact N-O 2.95Å; T65-T68 CarbonylContact O-C 3.53Å; T65-T68 PolarHBondContact O-N 2.98Å; T65-T68 VanDerWaalsContact O-O 3.09Å; T65-T68 PolarHBondContact O-OG1 3.38Å; T65-T68 VanDerWaalsContact O-OG1 3.05Å; T65-M70 HydrophobicContact CG2-CE 3.29Å; T65-M70 HydrophobicContact CG2-CG 3.86Å; T65-M70 HydrophobicContact CG2-SD 3.56Å; T65-M70 VanDerWaalsContact CG2-SD 3.56Å
66N91Very high97.1Very high148 Ų14869.4 Ų69.479%0.79136%0.355SS*.THydrogen-bonded Turntrans53.6-116.7-170.3-56.5-35.3000110.7K64K64-N66 WeakPolarHBondContact CE-O 3.28Å
67D92Very high97Very high141 Ų14162.3 Ų62.375%0.75432%0.318SS*.THydrogen-bonded Turntrans-93.93.1179-58.8-42.8000113.6T65T65-D67 PolarHBondContact O-N 3.32Å
68T96.2Very high96.9Very high33 Ų3363.9 Ų63.920%0.20233%0.327CS..EExtended strand (participates in β ladder)trans-126.4-176.3-177.3600000111.3T65T65-T68 CarbonylContact C-O 3.6Å; T65-T68 PolarHBondContact N-O 2.95Å; T65-T68 CarbonylContact O-C 3.53Å; T65-T68 PolarHBondContact O-N 2.98Å; T65-T68 VanDerWaalsContact O-O 3.09Å; T65-T68 PolarHBondContact O-OG1 3.38Å; T65-T68 VanDerWaalsContact O-OG1 3.05Å
69Y98Very high96.7Very high45 Ų4563.5 Ų63.518%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-124.5159.9-179.7-60.5-86.5000111.8K36 F37 F38 D40 T62 L63 K64K36-Y69 PolarHBondContact N-O 2.92Å; F37-Y69 VanDerWaalsContact CD1-O 3.32Å; F37-Y69 WeakPolarHBondContact CD1-O 3.41Å; F37-Y69 WeakPolarHBondContact CE1-O 3.47Å; F37-Y69 PolarHBondContact N-O 3.44Å; F37-Y69 PolarHBondContact O-N 3.22Å; F38-Y69 HydrophobicContact CD2-CD2 4.11Å; F38-Y69 AromaticContact CD2-CE2 3.6Å; F38-Y69 HydrophobicContact CD2-CE2 3.6Å; F38-Y69 AromaticContact CE2-CE2 3.96Å; F38-Y69 HydrophobicContact CE2-CE2 3.96Å; D40-Y69 HydrophobicContact CB-CD1 3.62Å; D40-Y69 HydrophobicContact CB-CD2 3.83Å; D40-Y69 HydrophobicContact CB-CE1 3.63Å; D40-Y69 HydrophobicContact CB-CE2 3.85Å; D40-Y69 HydrophobicContact CB-CG 3.71Å; T62-Y69 HydrophobicContact CG2-CD1 4.1Å; T62-Y69 HydrophobicContact CG2-CG 4.3Å; L63-Y69 CarbonylContact O-C 3.5Å; L63-Y69 VanDerWaalsContact O-CA 3.29Å; L63-Y69 WeakPolarHBondContact O-CA 3.42Å; K64-Y69 HydrophobicContact CB-CD1 4.06Å; K64-Y69 HydrophobicContact CB-CE1 3.95Å; K64-Y69 HydrophobicContact CD-CE1 4.44Å; K64-Y69 HydrophobicContact CG-CD1 4.39Å; K64-Y69 HydrophobicContact CG-CE1 4.08Å
70M98Very high96.5Very high42 Ų4270 Ų7021%0.20735%0.346CS..EExtended strand (participates in β ladder)trans-135.8154.1170.264.9175.237.600110.9L34 E35 T62 L63 T65L34-M70 CarbonylContact O-C 3.58Å; L34-M70 WeakPolarHBondContact O-CA 3.28Å; L34-M70 WeakPolarHBondContact O-CB 3.49Å; E35-M70 HydrophobicContact CG-CB 4.47Å; E35-M70 HydrophobicContact CG-CE 4.49Å; T62-M70 CarbonylContact C-O 3.52Å; T62-M70 WeakPolarHBondContact CA-O 3.48Å; L63-M70 HydrophobicContact CB-CG 3.84Å; L63-M70 PolarHBondContact N-O 2.9Å; L63-M70 PolarHBondContact O-N 3.08Å; T65-M70 HydrophobicContact CG2-CE 3.29Å; T65-M70 HydrophobicContact CG2-CG 3.86Å; T65-M70 HydrophobicContact CG2-SD 3.56Å; T65-M70 VanDerWaalsContact CG2-SD 3.56Å
71K98.2Very high96.4Very high25 Ų2570.1 Ų70.111%0.10935%0.347CS..EExtended strand (participates in β ladder)trans-150.1145.9176.3-169.1179.1-172.468.90109.6L34 F37 I42 V44 E59 G60 T62L34-K71 PolarHBondContact N-O 2.86Å; L34-K71 PolarHBondContact O-N 3.43Å; F37-K71 HydrophobicContact CE1-CB 4.2Å; F37-K71 HydrophobicContact CZ-CB 4Å; I42-K71 HydrophobicContact CG2-CD 3.48Å; I42-K71 VanDerWaalsContact CG2-CD 3.48Å; V44-K71 HydrophobicContact CG2-CD 4.46Å; E59-K71 WeakPolarHBondContact OE2-CE 3.27Å; G60-K71 WeakPolarHBondContact O-CE 3.28Å; G60-K71 PolarHBondContact O-NZ 3.39Å; T62-K71 PolarHBondContact OG1-NZ 3.02Å
72F98.2Very high96.2Very high74 Ų7464.8 Ų64.833%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-114141.7174.158.1-77.9000110.2L31 C32 G60 W74L31-F72 HydrophobicContact CD1-CB 4.16Å; C32-F72 WeakPolarHBondContact O-CA 3.26Å; G60-F72 PolarHBondContact N-O 3.29Å; F72-W74 AromaticContact CD2-CE3 3.52Å; F72-W74 HydrophobicContact CD2-CE3 3.52Å; F72-W74 HydrophobicContact CD2-CH2 4.1Å; F72-W74 AromaticContact CD2-CZ3 3.11Å; F72-W74 HydrophobicContact CD2-CZ3 3.11Å; F72-W74 AromaticContact CE2-CE3 3.96Å; F72-W74 HydrophobicContact CE2-CE3 3.96Å; F72-W74 AromaticContact CE2-CH2 3.64Å; F72-W74 HydrophobicContact CE2-CH2 3.64Å; F72-W74 AromaticContact CE2-CZ3 3.11Å; F72-W74 HydrophobicContact CE2-CZ3 3.11Å; F72-W74 HydrophobicContact CG-CZ3 4.31Å; F72-W74 HydrophobicContact CZ-CZ3 4.32Å
73S98.6Very high95.9Very high0 Ų064.1 Ų64.10%032%0.321CS..EExtended strand (participates in β ladder)trans-137.5140.2172178.80000109.1C32 W46 Q58C32-S73 PolarHBondContact N-O 3.33Å; C32-S73 PolarHBondContact O-N 3.48Å; W46-S73 PolarHBondContact NE1-OG 2.87Å; Q58-S73 CarbonylContact O-C 3.59Å; Q58-S73 WeakPolarHBondContact O-CA 3.41Å; Q58-S73 PolarHBondContact O-OG 2.87Å; Q58-S73 VanDerWaalsContact O-OG 3.06Å
74W98.6Very high95.7Very high58 Ų5864.3 Ų64.322%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-137.5150.7-179.864.597.8000112.4T29 Y30 L31 Q58 F72T29-W74 HydrophobicContact CG2-CB 4.03Å; T29-W74 HydrophobicContact CG2-CG 4.33Å; Y30-W74 CarbonylContact O-C 3.51Å; Y30-W74 WeakPolarHBondContact O-CA 3.4Å; Y30-W74 VanDerWaalsContact O-CB 3.27Å; Y30-W74 WeakPolarHBondContact O-CB 3.47Å; L31-W74 HydrophobicContact CB-CB 4.24Å; L31-W74 HydrophobicContact CD1-CB 3.94Å; L31-W74 HydrophobicContact CD1-CE3 4.45Å; Q58-W74 HydrophobicContact CB-CD2 3.92Å; Q58-W74 HydrophobicContact CB-CE3 4.44Å; Q58-W74 HydrophobicContact CB-CG 4.42Å; Q58-W74 HydrophobicContact CB-CH2 4.01Å; Q58-W74 HydrophobicContact CB-CZ2 3.44Å; Q58-W74 VanDerWaalsContact CB-CZ2 3.44Å; Q58-W74 HydrophobicContact CB-CZ3 4.43Å; Q58-W74 HydrophobicContact CG-CZ2 4.32Å; Q58-W74 PolarHBondContact N-O 3.41Å; Q58-W74 PolarHBondContact O-N 3.26Å; F72-W74 AromaticContact CD2-CE3 3.52Å; F72-W74 HydrophobicContact CD2-CE3 3.52Å; F72-W74 HydrophobicContact CD2-CH2 4.1Å; F72-W74 AromaticContact CD2-CZ3 3.11Å; F72-W74 HydrophobicContact CD2-CZ3 3.11Å; F72-W74 AromaticContact CE2-CE3 3.96Å; F72-W74 HydrophobicContact CE2-CE3 3.96Å; F72-W74 AromaticContact CE2-CH2 3.64Å; F72-W74 HydrophobicContact CE2-CH2 3.64Å; F72-W74 AromaticContact CE2-CZ3 3.11Å; F72-W74 HydrophobicContact CE2-CZ3 3.11Å; F72-W74 HydrophobicContact CG-CZ3 4.31Å; F72-W74 HydrophobicContact CZ-CZ3 4.32Å
75L98.6Very high95.7Very high3 Ų359.6 Ų59.62%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-125.4114.7179.2173.172.5000108.1T29 Y30 W46 L55 D56 V77 H86T29-L75 WeakPolarHBondContact CA-O 3.32Å; Y30-L75 HydrophobicContact CD2-CD2 4.49Å; Y30-L75 PolarHBondContact N-O 3.42Å; Y30-L75 PolarHBondContact O-N 2.77Å; W46-L75 HydrophobicContact CB-CB 4.44Å; W46-L75 HydrophobicContact CB-CD1 4.34Å; W46-L75 HydrophobicContact CB-CD2 4.07Å; W46-L75 HydrophobicContact CD2-CB 3.65Å; W46-L75 HydrophobicContact CD2-CD2 4.17Å; W46-L75 HydrophobicContact CD2-CG 4.46Å; W46-L75 HydrophobicContact CE3-CB 3.77Å; W46-L75 HydrophobicContact CE3-CD2 3.74Å; W46-L75 HydrophobicContact CE3-CG 4.39Å; W46-L75 HydrophobicContact CG-CB 3.97Å; W46-L75 HydrophobicContact CG-CD2 4.34Å; W46-L75 HydrophobicContact CZ2-CB 4.47Å; W46-L75 HydrophobicContact CZ3-CB 4.21Å; W46-L75 HydrophobicContact CZ3-CD2 4.48Å; L55-L75 HydrophobicContact CB-CD1 3.69Å; L55-L75 HydrophobicContact CD1-CD1 4.13Å; L55-L75 HydrophobicContact CD1-CD2 3.6Å; D56-L75 WeakPolarHBondContact O-CD1 3.15Å; L75-V77 HydrophobicContact CD1-CG1 4.11Å; L75-V77 HydrophobicContact CD2-CG1 3.73Å; L75-V77 HydrophobicContact CG-CG1 3.62Å; L75-H86 HydrophobicContact CD2-CB 4.39Å
76T98Very high95.9Very high62 Ų6257.8 Ų57.838%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-98.3123.1173.5-56.90000109.2G28 T29G28-T76 WeakPolarHBondContact O-CA 3.32Å; T29-T76 PolarHBondContact OG1-OG1 2.97Å
77V97.3Very high96.2Very high8 Ų852.3 Ų52.35%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-122.5151-177.3-51.40000112T27 G28 Y30 L75 A81 M82T27-V77 CarbonylContact C-O 3.55Å; T27-V77 VanDerWaalsContact CA-O 3.29Å; T27-V77 WeakPolarHBondContact CA-O 3.25Å; G28-V77 PolarHBondContact N-O 3.36Å; G28-V77 PolarHBondContact O-N 3.44Å; Y30-V77 HydrophobicContact CD2-CG2 4.4Å; Y30-V77 HydrophobicContact CE2-CG1 4.48Å; Y30-V77 HydrophobicContact CE2-CG2 3.74Å; L75-V77 HydrophobicContact CD1-CG1 4.11Å; L75-V77 HydrophobicContact CD2-CG1 3.73Å; L75-V77 HydrophobicContact CG-CG1 3.62Å; V77-A81 HydrophobicContact CB-CB 3.77Å; V77-A81 HydrophobicContact CG1-CB 4.47Å; V77-A81 HydrophobicContact CG2-CB 3.96Å; V77-M82 HydrophobicContact CG2-CG 3.76Å
78P95.9Very high96.5Very high59 Ų5945.6 Ų45.638%0.38322%0.219SC..EExtended strand (participates in β ladder)trans-72.5163.1172.830.5-36.2000112.1R80 A81 M82P78-R80 VanDerWaalsContact C-N 3.26Å; P78-R80 HydrophobicContact CB-CG 4.43Å; P78-R80 HydrophobicContact CG-CG 4.01Å; P78-R80 PolarHBondContact O-N 2.78Å; P78-A81 HydrophobicContact CG-CB 4.32Å; P78-A81 PolarHBondContact O-N 3.26Å; P78-M82 PolarHBondContact O-N 3.16Å
79E93.3Very high96.6Very high105 Ų10544.1 Ų44.149%0.49121%0.21SC..Hα-helixtrans-46.8-42.2-178.2-176.5170.1-150.800115.1K26 A81 M82K26-E79 HydrophobicContact CB-CB 4.41Å; K26-E79 IonicContact NZ-OE1 3.84Å; K26-E79 WeakPolarHBondContact O-CB 3.36Å; K26-E79 PolarHBondContact O-N 3.06Å; E79-A81 PolarHBondContact O-N 3.34Å; E79-M82 VanDerWaalsContact CA-CE 3.47Å; E79-M82 HydrophobicContact CB-CE 3.85Å; E79-M82 HydrophobicContact CG-CE 3.91Å; E79-M82 WeakPolarHBondContact O-CB 3.41Å; E79-M82 PolarHBondContact O-N 3.31Å
80R93.4Very high96.6Very high218 Ų21842 Ų4282%0.82320%0.202SC*.Hα-helixtrans-58.4-34.9177.366-177.1-178.5-151.1-0.4113.5P78P78-R80 VanDerWaalsContact C-N 3.26Å; P78-R80 HydrophobicContact CB-CG 4.43Å; P78-R80 HydrophobicContact CG-CG 4.01Å; P78-R80 PolarHBondContact O-N 2.78Å
81A94.7Very high96.6Very high11 Ų1143.8 Ų43.89%0.09121%0.209CC..Hα-helixtrans-86.1-23-177.600000112V77 P78 E79 G83 K84 H86V77-A81 HydrophobicContact CB-CB 3.77Å; V77-A81 HydrophobicContact CG1-CB 4.47Å; V77-A81 HydrophobicContact CG2-CB 3.96Å; P78-A81 HydrophobicContact CG-CB 4.32Å; P78-A81 PolarHBondContact O-N 3.26Å; E79-A81 PolarHBondContact O-N 3.34Å; A81-G83 PolarHBondContact O-N 3.5Å; A81-G83 VanDerWaalsContact O-N 3.1Å; A81-K84 WeakPolarHBondContact O-CB 3.4Å; A81-K84 PolarHBondContact O-N 3.43Å; A81-H86 PolarHBondContact O-CE1 3.36Å
82M93.2Very high96.6Very high15 Ų1543.3 Ų43.37%0.07421%0.206CC..Hα-helixtrans-60.6-21174.3-61.5-162.1-78.200114T22 V77 P78 E79 K84 I108T22-M82 HydrophobicContact CG2-CE 4.13Å; T22-M82 HydrophobicContact CG2-SD 3.53Å; T22-M82 VanDerWaalsContact CG2-SD 3.53Å; V77-M82 HydrophobicContact CG2-CG 3.76Å; P78-M82 PolarHBondContact O-N 3.16Å; E79-M82 VanDerWaalsContact CA-CE 3.47Å; E79-M82 HydrophobicContact CB-CE 3.85Å; E79-M82 HydrophobicContact CG-CE 3.91Å; E79-M82 WeakPolarHBondContact O-CB 3.41Å; E79-M82 PolarHBondContact O-N 3.31Å; M82-K84 PolarHBondContact O-N 2.94Å; M82-I108 HydrophobicContact CB-CB 4.48Å; M82-I108 HydrophobicContact CB-CG1 4.25Å; M82-I108 PolarHBondContact O-N 3.08Å
83G91.9Very high96.5Very high33 Ų3346.1 Ų46.134%0.3422%0.221SC..THydrogen-bonded Turntrans-74-9.9173.200000114.2A81 S107A81-G83 PolarHBondContact O-N 3.5Å; A81-G83 VanDerWaalsContact O-N 3.1Å; G83-S107 VanDerWaalsContact O-CB 3.3Å; G83-S107 WeakPolarHBondContact O-CB 3.3Å
84K94.5Very high96.4Very high89 Ų8949 Ų4939%0.38724%0.236SC..SBendtrans-99.5161.6-178.9-56.6-176.7177.5-174.90111.3E48 A81 M82 H86 S107E48-K84 HydrophobicContact CG-CD 4.28Å; E48-K84 WeakPolarHBondContact OE1-CD 3.21Å; E48-K84 IonicContact OE1-NZ 2.74Å; E48-K84 PolarHBondContact OE1-NZ 2.89Å; E48-K84 VanDerWaalsContact OE2-CD 3.29Å; E48-K84 WeakPolarHBondContact OE2-CD 3.18Å; E48-K84 IonicContact OE2-NZ 2.73Å; E48-K84 PolarHBondContact OE2-NZ 3.49Å; A81-K84 WeakPolarHBondContact O-CB 3.4Å; A81-K84 PolarHBondContact O-N 3.43Å; M82-K84 PolarHBondContact O-N 2.94Å; K84-H86 PolarHBondContact O-ND1 3.49Å; K84-S107 WeakPolarHBondContact O-CA 3.48Å; K84-S107 WeakPolarHBondContact O-CB 3.37Å
85E96.3Very high96.3Very high44 Ų4446.7 Ų46.721%0.20623%0.228CC..  trans-90.1141.4171-63.9179.7150.700109K49 K110K49-E85 HydrophobicContact CB-CB 3.78Å; K49-E85 HydrophobicContact CD-CB 3.85Å; K49-E85 HydrophobicContact CD-CG 4.48Å; K49-E85 WeakPolarHBondContact CD-OE2 3.29Å; K49-E85 WeakPolarHBondContact CE-OE2 3.37Å; K49-E85 HydrophobicContact CG-CB 4.47Å; K49-E85 PolarHBondContact N-O 3.42Å; K49-E85 IonicContact NZ-OE2 2.82Å; K49-E85 PolarHBondContact NZ-OE2 2.94Å; E85-K110 IonicContact OE1-NZ 2.71Å; E85-K110 PolarHBondContact OE1-NZ 2.8Å
86H97.4Very high95.9Very high1 Ų154.3 Ų54.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-121.9158.3-179.4-57.889.4000110.1Y30 K47 L75 A81 K84 F105Y30-H86 AromaticContact CE2-CE1 3.74Å; Y30-H86 AromaticContact CE2-ND1 3.56Å; Y30-H86 AromaticContact CZ-ND1 3.66Å; K47-H86 CarbonylContact O-C 3.48Å; K47-H86 WeakPolarHBondContact O-CA 3.44Å; L75-H86 HydrophobicContact CD2-CB 4.39Å; A81-H86 PolarHBondContact O-CE1 3.36Å; K84-H86 PolarHBondContact O-ND1 3.49Å; H86-F105 HydrophobicContact CB-CB 4.26Å; H86-F105 PolarHBondContact N-O 3.15Å; H86-F105 PolarHBondContact O-N 3.48Å
87R97.9Very high95.6Very high32 Ų3255.7 Ų55.712%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-129.9133.4171.750.4173.3173.9177.40.1110.1W46 K47 E48 G51 I89 E102 I103 F104W46-R87 WeakPolarHBondContact CA-O 3.34Å; K47-R87 HydrophobicContact CB-CG 3.97Å; K47-R87 PolarHBondContact N-O 3.38Å; K47-R87 WeakPolarHBondContact O-CG 3.45Å; K47-R87 PolarHBondContact O-N 2.84Å; E48-R87 PolarHBondContact O-NE 3.3Å; G51-R87 PolarHBondContact O-NH2 2.81Å; R87-I89 HydrophobicContact CB-CD1 4.36Å; R87-I89 HydrophobicContact CG-CD1 3.78Å; R87-I89 HydrophobicContact CG-CG1 4.43Å; R87-E102 WeakPolarHBondContact CD-OE2 3.46Å; R87-E102 IonicContact CZ-OE2 3.94Å; R87-E102 IonicContact NE-OE2 3.78Å; R87-E102 IonicContact NH1-OE1 2.69Å; R87-E102 IonicContact NH1-OE2 3.58Å; R87-E102 PolarHBondContact NH1-OE2 3.37Å; R87-I103 CarbonylContact C-O 3.57Å; R87-I103 VanDerWaalsContact CA-O 3.26Å; R87-I103 WeakPolarHBondContact CA-O 3.43Å; R87-F104 HydrophobicContact CB-CD1 4.43Å
88C98.4Very high95.3Very high0 Ų058.2 Ų58.20%032%0.315CS..EExtended strand (participates in β ladder)trans-92.5123.2164.3174.90000107C32 V44 W46 I103 F105C32-C88 HydrophobicContact CB-CB 4.28Å; V44-C88 WeakPolarHBondContact CG1-SG 3.46Å; W46-C88 HydrophobicContact CD2-CB 3.93Å; W46-C88 HydrophobicContact CE3-CB 3.93Å; W46-C88 HydrophobicContact CH2-CB 3.85Å; W46-C88 HydrophobicContact CZ2-CB 3.82Å; W46-C88 HydrophobicContact CZ3-CB 3.9Å; C88-I103 HydrophobicContact CB-CB 4.19Å; C88-I103 HydrophobicContact CB-CD1 4.48Å; C88-I103 PolarHBondContact N-O 2.77Å; C88-I103 PolarHBondContact O-N 2.9Å; C88-F105 HydrophobicContact CB-CD2 4.41Å; C88-F105 HydrophobicContact CB-CE2 3.75Å
89I98.4Very high95.3Very high2 Ų258.2 Ų58.21%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-107.7125.9-179.9-54.189.9000108.8V44 Y45 K47 R87 D100 Q101 E102V44-I89 WeakPolarHBondContact CA-O 3.45Å; Y45-I89 HydrophobicContact CD1-CB 4.28Å; Y45-I89 HydrophobicContact CD2-CB 4.1Å; Y45-I89 HydrophobicContact CD2-CD1 3.89Å; Y45-I89 HydrophobicContact CD2-CG1 4.43Å; Y45-I89 HydrophobicContact CE1-CB 3.83Å; Y45-I89 HydrophobicContact CE1-CG2 3.75Å; Y45-I89 HydrophobicContact CE2-CB 3.64Å; Y45-I89 HydrophobicContact CE2-CD1 3.71Å; Y45-I89 HydrophobicContact CE2-CG1 3.89Å; Y45-I89 HydrophobicContact CE2-CG2 4.04Å; Y45-I89 HydrophobicContact CG-CB 4.41Å; Y45-I89 VanDerWaalsContact CZ-CG2 3.42Å; Y45-I89 PolarHBondContact N-O 2.93Å; Y45-I89 WeakPolarHBondContact O-CD1 3.42Å; Y45-I89 PolarHBondContact O-N 2.77Å; Y45-I89 VanDerWaalsContact OH-CG2 3.27Å; Y45-I89 WeakPolarHBondContact OH-CG2 3.32Å; K47-I89 HydrophobicContact CB-CD1 4.01Å; K47-I89 HydrophobicContact CD-CD1 4.01Å; K47-I89 HydrophobicContact CG-CD1 3.82Å; R87-I89 HydrophobicContact CB-CD1 4.36Å; R87-I89 HydrophobicContact CG-CD1 3.78Å; R87-I89 HydrophobicContact CG-CG1 4.43Å; I89-D100 HydrophobicContact CG2-CB 3.63Å; I89-D100 WeakPolarHBondContact CG2-OD2 3.24Å; I89-Q101 CarbonylContact C-O 3.57Å; I89-Q101 WeakPolarHBondContact CA-O 3.29Å; I89-E102 HydrophobicContact CG1-CG 4.28Å
90V98.4Very high95.5Very high0 Ų056.2 Ų56.20%031%0.313CS..EExtended strand (participates in β ladder)trans-117.2118.3-174.9-178.20000109.7P10 L34 I42 V44 N95 Q101 I103P10-V90 HydrophobicContact CB-CG1 4.04Å; P10-V90 HydrophobicContact CG-CG1 3.9Å; L34-V90 HydrophobicContact CD1-CB 4.47Å; L34-V90 HydrophobicContact CD1-CG1 3.89Å; L34-V90 HydrophobicContact CD1-CG2 3.69Å; L34-V90 HydrophobicContact CD2-CG1 4.46Å; L34-V90 HydrophobicContact CD2-CG2 3.75Å; L34-V90 HydrophobicContact CG-CG2 4.37Å; I42-V90 HydrophobicContact CD1-CG1 3.64Å; I42-V90 HydrophobicContact CG1-CG1 3.87Å; V44-V90 HydrophobicContact CG1-CG2 4.39Å; V90-N95 PolarHBondContact O-ND2 3.03Å; V90-Q101 HydrophobicContact CB-CB 4.22Å; V90-Q101 PolarHBondContact N-O 3.4Å; V90-Q101 PolarHBondContact O-N 3.14Å; V90-I103 HydrophobicContact CG2-CD1 3.65Å
91K98.2Very high95.7Very high81 Ų8148.2 Ų48.235%0.35229%0.285SS..EExtended strand (participates in β ladder)trans-99.8119.1172.5-59.6-169.6161.1-176.90109.6R43 Y45 D100R43-K91 HydrophobicContact CB-CB 4.19Å; R43-K91 PolarHBondContact N-O 2.88Å; R43-K91 PolarHBondContact O-N 3.4Å; Y45-K91 HydrophobicContact CE1-CD 4.05Å; Y45-K91 HydrophobicContact CE1-CG 4.01Å; K91-D100 VanDerWaalsContact CE-CG 3.43Å; K91-D100 WeakPolarHBondContact CE-OD1 3.31Å; K91-D100 WeakPolarHBondContact CE-OD2 3.2Å; K91-D100 WeakPolarHBondContact CG-OD1 3.36Å; K91-D100 IonicContact NZ-OD2 3.8Å
92H98.1Very high95.9Very high14 Ų1451.8 Ų51.87%0.06530%0.299CS..  trans-149.3144.3176.7-175.3-97.2000109.5P10 F37 F38 P39 V41 I42 N94 N95P10-H92 HydrophobicContact CG-CB 3.66Å; F37-H92 AromaticContact CD2-NE2 3.79Å; F38-H92 PolarHBondContact O-CE1 3.24Å; F38-H92 PolarHBondContact O-NE2 3.41Å; P39-H92 PolarHBondContact O-NE2 3.41Å; V41-H92 PolarHBondContact O-CD2 2.91Å; I42-H92 HydrophobicContact CG1-CB 4.35Å; H92-N94 PolarHBondContact ND1-N 2.94Å; H92-N94 VanDerWaalsContact ND1-N 3.13Å; H92-N94 PolarHBondContact O-N 3.28Å; H92-N95 PolarHBondContact N-ND2 3.03Å; H92-N95 WeakPolarHBondContact O-CB 3.19Å; H92-N95 PolarHBondContact O-N 2.92Å
93E96.4Very high96.1Very high133 Ų13351.7 Ų51.762%0.62130%0.299SS*.THydrogen-bonded Turntrans-64.1-28-174.158.7168.5-14300113.7P39P39-E93 WeakPolarHBondContact CD-OE1 3.28Å; P39-E93 VanDerWaalsContact CG-CD 3.44Å; P39-E93 HydrophobicContact CG-CG 3.95Å; P39-E93 WeakPolarHBondContact CG-OE1 3.36Å
94N95.4Very high96.3Very high60 Ų6055.8 Ų55.832%0.32131%0.308SS..THydrogen-bonded Turntrans-96.411-179.5-67-47.5000112.9I8 S9 F38 H92I8-N94 HydrophobicContact CD1-CB 4.46Å; I8-N94 VanDerWaalsContact CD1-ND2 3.29Å; I8-N94 WeakPolarHBondContact CD1-ND2 3.34Å; I8-N94 HydrophobicContact CG1-CB 3.99Å; S9-N94 WeakPolarHBondContact CB-O 3.24Å; F38-N94 PolarHBondContact O-ND2 2.85Å; H92-N94 PolarHBondContact ND1-N 2.94Å; H92-N94 VanDerWaalsContact ND1-N 3.13Å; H92-N94 PolarHBondContact O-N 3.28Å
95N96.1Very high96.4Very high10 Ų1051.6 Ų51.65%0.05329%0.29CS..SBendtrans-57.6145.1169.2-77-10.3000111.1P10 V90 H92 G97 G98 A99 Q101P10-N95 WeakPolarHBondContact CD-OD1 3.48Å; V90-N95 PolarHBondContact O-ND2 3.03Å; H92-N95 PolarHBondContact N-ND2 3.03Å; H92-N95 WeakPolarHBondContact O-CB 3.19Å; H92-N95 PolarHBondContact O-N 2.92Å; N95-G97 PolarHBondContact O-N 3.41Å; N95-G98 PolarHBondContact O-N 2.96Å; N95-A99 WeakPolarHBondContact CB-O 3.38Å; N95-A99 PolarHBondContact ND2-O 2.91Å; N95-Q101 PolarHBondContact ND2-N 3.46Å
96K91.3Very high96.3Very high164 Ų16451.5 Ų51.571%0.71329%0.293SS*.G310 helixtrans-57.9123.8-178.3-64.2-175.4179.9178.20110.9D7 G98 A99D7-K96 WeakPolarHBondContact OD2-CE 3.41Å; D7-K96 IonicContact OD2-NZ 3.78Å; K96-G98 PolarHBondContact O-N 3.31Å; K96-A99 PolarHBondContact O-N 3.37Å
97G90.5Very high96.1Very high90 Ų9051.7 Ų51.793%0.92829%0.294SS*.G310 helixtrans66.513.4-179.800000114.8N95 A99N95-G97 PolarHBondContact O-N 3.41Å; G97-A99 PolarHBondContact O-N 3.21Å
98G92.2Very high95.5Very high62 Ų6252 Ų5264%0.63930%0.298SS*.G310 helixtrans69.211.5-176.700000114.4N95 K96N95-G98 PolarHBondContact O-N 2.96Å; K96-G98 PolarHBondContact O-N 3.31Å
99A96.3Very high94.3Very high58 Ų5859.7 Ų59.748%0.47933%0.331SS..PPolyproline II helixtrans-85.7152.2178.700000111.7N95 K96 G97 Q101N95-A99 WeakPolarHBondContact CB-O 3.38Å; N95-A99 PolarHBondContact ND2-O 2.91Å; K96-A99 PolarHBondContact O-N 3.37Å; G97-A99 PolarHBondContact O-N 3.21Å; A99-Q101 PolarHBondContact O-N 2.86Å
100D97.4Very high92.5Very high63 Ų6365.1 Ų65.134%0.33736%0.355SS..PPolyproline II helixtrans-61133.9169.8-72.614.6000109.9Y45 I89 K91Y45-D100 PolarHBondContact OH-OD2 3.44Å; I89-D100 HydrophobicContact CG2-CB 3.63Å; I89-D100 WeakPolarHBondContact CG2-OD2 3.24Å; K91-D100 VanDerWaalsContact CE-CG 3.43Å; K91-D100 WeakPolarHBondContact CE-OD1 3.31Å; K91-D100 WeakPolarHBondContact CE-OD2 3.2Å; K91-D100 WeakPolarHBondContact CG-OD1 3.36Å; K91-D100 IonicContact NZ-OD2 3.8Å
101Q97.3Very high90.6Very high50 Ų5067.1 Ų67.123%0.23437%0.367CS..EExtended strand (participates in β ladder)trans-81.5123.3172.8179.3-173.653.900108.8P10 I89 V90 N95 A99 I103P10-Q101 PolarHBondContact O-NE2 2.87Å; P10-Q101 VanDerWaalsContact O-NE2 3.16Å; P10-Q101 PolarHBondContact O-OE1 2.86Å; I89-Q101 CarbonylContact C-O 3.57Å; I89-Q101 WeakPolarHBondContact CA-O 3.29Å; V90-Q101 HydrophobicContact CB-CB 4.22Å; V90-Q101 PolarHBondContact N-O 3.4Å; V90-Q101 PolarHBondContact O-N 3.14Å; N95-Q101 PolarHBondContact ND2-N 3.46Å; A99-Q101 PolarHBondContact O-N 2.86Å; Q101-I103 HydrophobicContact CG-CG1 4.12Å
102E97.4Very high88.7Confident86 Ų8667 Ų6740%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-103.7117.7175.8-63.7-165.5-144.900110.7R87 I89 F104R87-E102 WeakPolarHBondContact CD-OE2 3.46Å; R87-E102 IonicContact CZ-OE2 3.94Å; R87-E102 IonicContact NE-OE2 3.78Å; R87-E102 IonicContact NH1-OE1 2.69Å; R87-E102 IonicContact NH1-OE2 3.58Å; R87-E102 PolarHBondContact NH1-OE2 3.37Å; I89-E102 HydrophobicContact CG1-CG 4.28Å; E102-F104 HydrophobicContact CB-CE2 4.41Å; E102-F104 HydrophobicContact CB-CZ 4.34Å
103I97.7Very high86.7Confident14 Ų1472.2 Ų72.27%0.07241%0.413CS..EExtended strand (participates in β ladder)trans-108.9114.8-177.6-56.5156.8000108.2P12 I14 C32 L34 R87 C88 V90 Q101 F105P12-I103 HydrophobicContact CB-CD1 3.42Å; P12-I103 VanDerWaalsContact CB-CD1 3.42Å; P12-I103 HydrophobicContact CB-CG1 3.92Å; P12-I103 HydrophobicContact CB-CG2 4.32Å; P12-I103 HydrophobicContact CG-CD1 3.99Å; P12-I103 HydrophobicContact CG-CG1 4.01Å; I14-I103 HydrophobicContact CG2-CG2 3.42Å; I14-I103 VanDerWaalsContact CG2-CG2 3.42Å; C32-I103 VanDerWaalsContact SG-CD1 3.55Å; L34-I103 HydrophobicContact CD2-CD1 3.93Å; R87-I103 CarbonylContact C-O 3.57Å; R87-I103 VanDerWaalsContact CA-O 3.26Å; R87-I103 WeakPolarHBondContact CA-O 3.43Å; C88-I103 HydrophobicContact CB-CB 4.19Å; C88-I103 HydrophobicContact CB-CD1 4.48Å; C88-I103 PolarHBondContact N-O 2.77Å; C88-I103 PolarHBondContact O-N 2.9Å; V90-I103 HydrophobicContact CG2-CD1 3.65Å; Q101-I103 HydrophobicContact CG-CG1 4.12Å; I103-F105 HydrophobicContact CB-CE2 4.38Å; I103-F105 HydrophobicContact CG2-CD2 4.45Å; I103-F105 HydrophobicContact CG2-CE2 3.77Å; I103-F105 HydrophobicContact CG2-CZ 4.38Å; I103-F105 WeakPolarHBondContact O-CD2 2.97Å
104F96.8Very high84.6Confident118 Ų11870.9 Ų70.952%0.51842%0.419SS..EExtended strand (participates in β ladder)trans-87134.2-174.1-64.9-79.1000112.8K49 R87 E102K49-F104 HydrophobicContact CG-CE1 4.49Å; R87-F104 HydrophobicContact CB-CD1 4.43Å; E102-F104 HydrophobicContact CB-CE2 4.41Å; E102-F104 HydrophobicContact CB-CZ 4.34Å
105F96.8Very high82.2Confident2 Ų271 Ų711%0.00942%0.422CS..EExtended strand (participates in β ladder)trans-115.6122.5174.5-72.4-99.4000109.8I14 L16 Y30 C32 W46 H86 C88 I103I14-F105 HydrophobicContact CB-CD1 4.39Å; I14-F105 HydrophobicContact CB-CE1 3.65Å; I14-F105 HydrophobicContact CB-CZ 3.78Å; I14-F105 HydrophobicContact CG2-CE1 3.95Å; I14-F105 HydrophobicContact CG2-CE2 4.05Å; I14-F105 HydrophobicContact CG2-CZ 3.55Å; L16-F105 HydrophobicContact CD2-CD1 3.96Å; Y30-F105 HydrophobicContact CD1-CB 3.9Å; Y30-F105 AromaticContact CD1-CD1 3.65Å; Y30-F105 HydrophobicContact CD1-CD1 3.65Å; Y30-F105 HydrophobicContact CD1-CG 4.1Å; Y30-F105 HydrophobicContact CE1-CB 4.18Å; Y30-F105 HydrophobicContact CG-CD1 4.25Å; C32-F105 HydrophobicContact CB-CE2 4.43Å; C32-F105 HydrophobicContact CB-CZ 3.96Å; W46-F105 AromaticContact CH2-CD2 3.99Å; W46-F105 HydrophobicContact CH2-CD2 3.99Å; W46-F105 AromaticContact CH2-CE1 4Å; W46-F105 HydrophobicContact CH2-CE1 4Å; W46-F105 AromaticContact CH2-CE2 3.45Å; W46-F105 HydrophobicContact CH2-CE2 3.45Å; W46-F105 VanDerWaalsContact CH2-CE2 3.45Å; W46-F105 HydrophobicContact CH2-CG 4.49Å; W46-F105 AromaticContact CH2-CZ 3.45Å; W46-F105 HydrophobicContact CH2-CZ 3.45Å; W46-F105 VanDerWaalsContact CH2-CZ 3.45Å; W46-F105 HydrophobicContact CZ2-CZ 4.5Å; W46-F105 HydrophobicContact CZ3-CD1 4.39Å; W46-F105 AromaticContact CZ3-CD2 3.54Å; W46-F105 HydrophobicContact CZ3-CD2 3.54Å; W46-F105 HydrophobicContact CZ3-CE1 4.32Å; W46-F105 AromaticContact CZ3-CE2 3.5Å; W46-F105 HydrophobicContact CZ3-CE2 3.5Å; W46-F105 HydrophobicContact CZ3-CG 4.01Å; W46-F105 AromaticContact CZ3-CZ 3.91Å; W46-F105 HydrophobicContact CZ3-CZ 3.91Å; H86-F105 HydrophobicContact CB-CB 4.26Å; H86-F105 PolarHBondContact N-O 3.15Å; H86-F105 PolarHBondContact O-N 3.48Å; C88-F105 HydrophobicContact CB-CD2 4.41Å; C88-F105 HydrophobicContact CB-CE2 3.75Å; I103-F105 HydrophobicContact CB-CE2 4.38Å; I103-F105 HydrophobicContact CG2-CD2 4.45Å; I103-F105 HydrophobicContact CG2-CE2 3.77Å; I103-F105 HydrophobicContact CG2-CZ 4.38Å; I103-F105 WeakPolarHBondContact O-CD2 2.97Å
106P94.6Very high79.2Confident42 Ų4278.5 Ų78.527%0.27345%0.454SS..  trans-71.6157.1-178.930.6-36.3000112.3L16 V111L16-P106 HydrophobicContact CD1-CG 4.13Å; L16-P106 HydrophobicContact CD2-CG 4.11Å; P106-V111 HydrophobicContact CB-CG2 4.17Å; P106-V111 HydrophobicContact CG-CG2 3.88Å
107S92.1Very high77Confident5 Ų574.2 Ų74.24%0.03544%0.443CS..  trans-66.6141.4167.664.50000111.2G83 K84 K109 K110 V111G83-S107 VanDerWaalsContact O-CB 3.3Å; G83-S107 WeakPolarHBondContact O-CB 3.3Å; K84-S107 WeakPolarHBondContact O-CA 3.48Å; K84-S107 WeakPolarHBondContact O-CB 3.37Å; S107-K109 VanDerWaalsContact C-N 3.28Å; S107-K109 PolarHBondContact O-N 3.16Å; S107-K110 PolarHBondContact O-N 3.46Å; S107-K110 VanDerWaalsContact O-N 3.16Å; S107-K110 WeakPolarHBondContact OG-CD 3.35Å; S107-K110 VanDerWaalsContact OG-CG 3.28Å; S107-K110 WeakPolarHBondContact OG-CG 3.34Å; S107-V111 PolarHBondContact O-N 3.16Å
108I85.2Confident75Confident38 Ų3874.3 Ų74.320%0.19543%0.426CS..Hα-helixtrans-65.4-31.3-178.8-60.5-56.4000112.4P17 Y30 M82 K110 V111 A112P17-I108 HydrophobicContact CB-CD1 4.12Å; P17-I108 HydrophobicContact CB-CG1 4.49Å; P17-I108 HydrophobicContact CG-CD1 3.87Å; P17-I108 HydrophobicContact CG-CG1 4.23Å; Y30-I108 HydrophobicContact CE1-CD1 4.42Å; M82-I108 HydrophobicContact CB-CB 4.48Å; M82-I108 HydrophobicContact CB-CG1 4.25Å; M82-I108 PolarHBondContact O-N 3.08Å; I108-K110 VanDerWaalsContact C-N 3.26Å; I108-K110 PolarHBondContact O-N 3.39Å; I108-V111 PolarHBondContact O-N 3.29Å; I108-V111 VanDerWaalsContact O-N 3.16Å; I108-A112 PolarHBondContact O-N 3Å; I108-A112 VanDerWaalsContact O-N 3.15Å
109K74.9Confident72.7Confident161 Ų16177.4 Ų77.470%0.743%0.432SS*.Hα-helixtrans-58.9-36175.8-66.9-172.2179.6-175.80112.7S107S107-K109 VanDerWaalsContact C-N 3.28Å; S107-K109 PolarHBondContact O-N 3.16Å
110K60Low70.4Confident117 Ų11778 Ų7851%0.50943%0.432SS..Hα-helixtrans-75.1-34.6177.2-71.2179.2-172178.50112.4E85 S107 I108 V113 S114E85-K110 IonicContact OE1-NZ 2.71Å; E85-K110 PolarHBondContact OE1-NZ 2.8Å; S107-K110 PolarHBondContact O-N 3.46Å; S107-K110 VanDerWaalsContact O-N 3.16Å; S107-K110 WeakPolarHBondContact OG-CD 3.35Å; S107-K110 VanDerWaalsContact OG-CG 3.28Å; S107-K110 WeakPolarHBondContact OG-CG 3.34Å; I108-K110 VanDerWaalsContact C-N 3.26Å; I108-K110 PolarHBondContact O-N 3.39Å; K110-V113 PolarHBondContact O-N 3.46Å; K110-S114 WeakPolarHBondContact O-CB 3.29Å; K110-S114 PolarHBondContact O-N 3.1Å
111V58.6Low67.6Low41 Ų4182.8 Ų82.825%0.24845%0.446CS..Hα-helixtrans-68.8-41.8-178.7-179.20000111L16 P106 S107 I108 V113 S114 T115L16-V111 HydrophobicContact CD1-CG1 4.45Å; L16-V111 HydrophobicContact CD1-CG2 4.07Å; P106-V111 HydrophobicContact CB-CG2 4.17Å; P106-V111 HydrophobicContact CG-CG2 3.88Å; S107-V111 PolarHBondContact O-N 3.16Å; I108-V111 PolarHBondContact O-N 3.29Å; I108-V111 VanDerWaalsContact O-N 3.16Å; V111-V113 PolarHBondContact O-N 2.91Å; V111-V113 VanDerWaalsContact O-N 3.16Å; V111-S114 PolarHBondContact O-N 2.99Å; V111-T115 VanDerWaalsContact O-CB 3.24Å; V111-T115 WeakPolarHBondContact O-CB 3.39Å; V111-T115 PolarHBondContact O-N 3.05Å; V111-T115 PolarHBondContact O-OG1 3.3Å; V111-T115 VanDerWaalsContact O-OG1 3.08Å
112A58.4Low65.4Low78 Ų7886.8 Ų86.865%0.64546%0.464SS*.Hα-helixtrans-60.8-25.2175.900000113.8I108I108-A112 PolarHBondContact O-N 3Å; I108-A112 VanDerWaalsContact O-N 3.15Å
113V54.9Low63.3Low124 Ų12487.4 Ų87.475%0.75247%0.471SS*.Hα-helixtrans-93.3-37.7179.3-179.10000112.3K110 V111K110-V113 PolarHBondContact O-N 3.46Å; V111-V113 PolarHBondContact O-N 2.91Å; V111-V113 VanDerWaalsContact O-N 3.16Å
114S53Low61.3Low105 Ų10592.9 Ų92.973%0.73449%0.494SS*.Hα-helixtrans-76.2-33.8178.9-170.80000112.1K110 V111 K116K110-S114 WeakPolarHBondContact O-CB 3.29Å; K110-S114 PolarHBondContact O-N 3.1Å; V111-S114 PolarHBondContact O-N 2.99Å; S114-K116 PolarHBondContact O-N 3.5Å
115T44.5Very low60Low63 Ų6391.7 Ų91.739%0.38749%0.493SS..SBendtrans-75.679.2167.2-51.50000108.7V111 P117V111-T115 VanDerWaalsContact O-CB 3.24Å; V111-T115 WeakPolarHBondContact O-CB 3.39Å; V111-T115 PolarHBondContact O-N 3.05Å; V111-T115 PolarHBondContact O-OG1 3.3Å; V111-T115 VanDerWaalsContact O-OG1 3.08Å; T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.21Å; T115-P117 VanDerWaalsContact O-N 3.16Å
116K33.1Very low59Low167 Ų16795.8 Ų95.873%0.72652%0.515SS*.  trans-46.1121150.5-161.5176.8-173-178.50106.5S114 T118S114-K116 PolarHBondContact O-N 3.5Å; K116-T118 VanDerWaalsContact C-N 3.31Å; K116-T118 PolarHBondContact O-N 3.28Å
117P45.8Very low58.3Low74 Ų7497.5 Ų97.548%0.48152%0.524SS..SBendtrans-54.689.5173.7-34.243.1000110.8T115 W121T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.21Å; T115-P117 VanDerWaalsContact O-N 3.16Å; P117-W121 VanDerWaalsContact CA-CD1 3.45Å; P117-W121 HydrophobicContact CB-CD2 4.2Å; P117-W121 HydrophobicContact CB-CG 3.88Å; P117-W121 HydrophobicContact CG-CZ2 4.19Å
118T47.2Very low57.7Low92 Ų92102.4 Ų102.456%0.56455%0.55SS*.SBendtrans-134.7-7.6174.6-43.80000115.7K116K116-T118 VanDerWaalsContact C-N 3.31Å; K116-T118 PolarHBondContact O-N 3.28Å
119T44Very low57.7Low127 Ų127105.8 Ų105.878%0.77956%0.564SS**SBendtrans-143.4-2.5171.7470000118.7
120C48.9Very low58.4Low71 Ų71103.1 Ų103.148%0.4856%0.557SS.*SBendtrans-109.7-6.7171.738.40000114.5Q122 D123 K124C120-Q122 VanDerWaalsContact C-N 3.35Å; C120-D123 PolarHBondContact O-N 3.26Å; C120-K124 PolarHBondContact O-N 2.85Å
121W39.3Very low59.8Low163 Ų163103.3 Ų103.362%0.61756%0.56SS**Hα-helixtrans-75-30.1170.9-69.776.1000112P117 D123 N125P117-W121 VanDerWaalsContact CA-CD1 3.45Å; P117-W121 HydrophobicContact CB-CD2 4.2Å; P117-W121 HydrophobicContact CB-CG 3.88Å; P117-W121 HydrophobicContact CG-CZ2 4.19Å; W121-D123 VanDerWaalsContact C-N 3.31Å; W121-N125 PolarHBondContact O-N 3.24Å
122Q49.4Very low61.4Low134 Ų134108.3 Ų108.363%0.62658%0.579SS**Hα-helixtrans-61.4-45.4170.7-148.5128.76.900109.8C120 K124 N125 D126C120-Q122 VanDerWaalsContact C-N 3.35Å; Q122-K124 PolarHBondContact O-N 3.02Å; Q122-N125 CarbonylContact O-C 3.58Å; Q122-N125 WeakPolarHBondContact O-CB 3.42Å; Q122-N125 PolarHBondContact O-N 3.22Å; Q122-D126 WeakPolarHBondContact O-CB 3.36Å; Q122-D126 PolarHBondContact O-N 3.27Å
123D54.1Low62.9Low100 Ų100108.3 Ų108.354%0.53557%0.571SS.*Hα-helixtrans-61.5-41-178.6-155.215.7000113.2C120 W121 N125 D126 V127C120-D123 PolarHBondContact O-N 3.26Å; W121-D123 VanDerWaalsContact C-N 3.31Å; D123-N125 PolarHBondContact O-N 2.99Å; D123-D126 PolarHBondContact O-N 3.19Å; D123-V127 WeakPolarHBondContact O-CB 3.41Å; D123-V127 WeakPolarHBondContact O-CG2 3.27Å; D123-V127 PolarHBondContact O-N 2.71Å
124K55.7Low64.8Low128 Ų128107.5 Ų107.556%0.55756%0.561SS**Hα-helixtrans-63.8-42.5172.7-90.2-175.5179.2173.50112.7C120 Q122 D126 V127 L128C120-K124 PolarHBondContact O-N 2.85Å; Q122-K124 PolarHBondContact O-N 3.02Å; K124-D126 VanDerWaalsContact C-N 3.29Å; K124-V127 PolarHBondContact O-N 3.07Å; K124-L128 WeakPolarHBondContact O-CB 3.11Å; K124-L128 VanDerWaalsContact O-CG 3.25Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 2.73Å
125N69.5Low66.8Low94 Ų94105.3 Ų105.350%0.50354%0.544SS..Hα-helixtrans-65.6-39.6178.4-160.153.5000110.1W121 Q122 D123 L128 Q129W121-N125 PolarHBondContact O-N 3.24Å; Q122-N125 CarbonylContact O-C 3.58Å; Q122-N125 WeakPolarHBondContact O-CB 3.42Å; Q122-N125 PolarHBondContact O-N 3.22Å; D123-N125 PolarHBondContact O-N 2.99Å; N125-L128 PolarHBondContact O-N 3.2Å; N125-Q129 VanDerWaalsContact O-CB 3.32Å; N125-Q129 WeakPolarHBondContact O-CB 3.46Å; N125-Q129 WeakPolarHBondContact O-CG 3.47Å; N125-Q129 PolarHBondContact O-N 2.89Å
126D76.6Confident69.2Low88 Ų88104.6 Ų104.647%0.47154%0.541SS..Hα-helixtrans-65.9-44.2176.7-65.2-21.7000111.4Q122 D123 K124 Q129 L130Q122-D126 WeakPolarHBondContact O-CB 3.36Å; Q122-D126 PolarHBondContact O-N 3.27Å; D123-D126 PolarHBondContact O-N 3.19Å; K124-D126 VanDerWaalsContact C-N 3.29Å; D126-Q129 PolarHBondContact O-N 3.46Å; D126-L130 WeakPolarHBondContact O-CB 3.45Å; D126-L130 PolarHBondContact O-N 2.69Å
127V78.7Confident72.2Confident77 Ų7799 Ų9947%0.46753%0.526SS..Hα-helixtrans-63.7-42.3175.1171.10000111.5D123 K124 L130 Q131D123-V127 WeakPolarHBondContact O-CB 3.41Å; D123-V127 WeakPolarHBondContact O-CG2 3.27Å; D123-V127 PolarHBondContact O-N 2.71Å; K124-V127 PolarHBondContact O-N 3.07Å; V127-L130 PolarHBondContact O-N 2.87Å; V127-Q131 WeakPolarHBondContact O-CB 3.4Å; V127-Q131 PolarHBondContact O-N 2.65Å
128L80.9Confident74.6Confident109 Ų109102.1 Ų102.157%0.57153%0.529SS*.Hα-helixtrans-65.6-43.3176.8-75.1170.1000111.9K124 N125 L130 Q131 F132K124-L128 WeakPolarHBondContact O-CB 3.11Å; K124-L128 VanDerWaalsContact O-CG 3.25Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 2.73Å; N125-L128 PolarHBondContact O-N 3.2Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-Q131 PolarHBondContact O-N 2.91Å; L128-F132 WeakPolarHBondContact O-CB 3.35Å; L128-F132 PolarHBondContact O-N 3.02Å
129Q84.7Confident77Confident108 Ų108104.2 Ų104.251%0.50553%0.528SS..Hα-helixtrans-62-42.1174.3-74.5-71.4-6.500111.4N125 D126 F132 T133N125-Q129 VanDerWaalsContact O-CB 3.32Å; N125-Q129 WeakPolarHBondContact O-CB 3.46Å; N125-Q129 WeakPolarHBondContact O-CG 3.47Å; N125-Q129 PolarHBondContact O-N 2.89Å; D126-Q129 PolarHBondContact O-N 3.46Å; Q129-F132 PolarHBondContact O-N 2.98Å; Q129-T133 WeakPolarHBondContact O-CB 3.22Å; Q129-T133 PolarHBondContact O-N 3.46Å; Q129-T133 PolarHBondContact O-OG1 2.74Å
130L88.3Confident79.5Confident105 Ų105102 Ų10255%0.5551%0.514SS..Hα-helixtrans-63.5-44.8176.1-17762.7000111.2D126 V127 L128 F132 T133 I134D126-L130 WeakPolarHBondContact O-CB 3.45Å; D126-L130 PolarHBondContact O-N 2.69Å; V127-L130 PolarHBondContact O-N 2.87Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 3.03Å; L130-T133 PolarHBondContact O-N 3.39Å; L130-I134 HydrophobicContact CD1-CD1 4.11Å; L130-I134 HydrophobicContact CD1-CG1 4.39Å; L130-I134 HydrophobicContact CG-CD1 3.88Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.38Å; L130-I134 PolarHBondContact O-N 3.08Å
131Q90.7Very high81.8Confident122 Ų122105.1 Ų105.157%0.5752%0.517SS*.Hα-helixtrans-61.8-45.7177.2-170178.6-59.700111V127 L128 T133 I134 T135V127-Q131 WeakPolarHBondContact O-CB 3.4Å; V127-Q131 PolarHBondContact O-N 2.65Å; L128-Q131 PolarHBondContact O-N 2.91Å; Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 2.86Å; Q131-I134 PolarHBondContact O-N 2.81Å; Q131-T135 WeakPolarHBondContact O-CB 3.45Å; Q131-T135 PolarHBondContact O-N 3.02Å; Q131-T135 PolarHBondContact O-OG1 2.84Å
132F91.1Very high84.6Confident146 Ų146100.7 Ų100.764%0.6451%0.505SS*.Hα-helixtrans-60.4-41.2176-176.2-98.4000112.1L128 Q129 L130 T135 S136L128-F132 WeakPolarHBondContact O-CB 3.35Å; L128-F132 PolarHBondContact O-N 3.02Å; Q129-F132 PolarHBondContact O-N 2.98Å; L130-F132 PolarHBondContact O-N 3.03Å; F132-T135 PolarHBondContact O-N 2.79Å; F132-S136 WeakPolarHBondContact O-CB 3.47Å; F132-S136 PolarHBondContact O-N 2.85Å; F132-S136 PolarHBondContact O-OG 2.83Å
133T91.7Very high86.8Confident78 Ų7899.8 Ų99.848%0.47950%0.504SS..Hα-helixtrans-63.6-45.5176.3-560000111.4Q129 L130 Q131 S136 A137Q129-T133 WeakPolarHBondContact O-CB 3.22Å; Q129-T133 PolarHBondContact O-N 3.46Å; Q129-T133 PolarHBondContact O-OG1 2.74Å; L130-T133 PolarHBondContact O-N 3.39Å; Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 2.86Å; T133-S136 PolarHBondContact O-OG 2.93Å; T133-S136 VanDerWaalsContact O-OG 3.05Å; T133-A137 WeakPolarHBondContact O-CB 3.22Å; T133-A137 PolarHBondContact O-N 3.49Å
134I94Very high88.9Confident107 Ų107100.4 Ų100.455%0.54951%0.506SS..Hα-helixtrans-65.9-44.2178.6-66.7165.9000110.6L130 Q131 A137 Y138L130-I134 HydrophobicContact CD1-CD1 4.11Å; L130-I134 HydrophobicContact CD1-CG1 4.39Å; L130-I134 HydrophobicContact CG-CD1 3.88Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.38Å; L130-I134 PolarHBondContact O-N 3.08Å; Q131-I134 PolarHBondContact O-N 2.81Å; I134-A137 PolarHBondContact O-N 2.91Å; I134-Y138 WeakPolarHBondContact O-CB 3.4Å; I134-Y138 PolarHBondContact O-N 2.96Å
135T93.8Very high90.9Very high59 Ų5997.9 Ų97.936%0.36250%0.499SS..Hα-helixtrans-63.5-46.9178.9-61.70000111.6Q131 F132 Y138 Y139Q131-T135 WeakPolarHBondContact O-CB 3.45Å; Q131-T135 PolarHBondContact O-N 3.02Å; Q131-T135 PolarHBondContact O-OG1 2.84Å; F132-T135 PolarHBondContact O-N 2.79Å; T135-Y138 WeakPolarHBondContact O-CB 3.43Å; T135-Y138 PolarHBondContact O-N 2.86Å; T135-Y139 HydrophobicContact CG2-CD2 3.81Å; T135-Y139 HydrophobicContact CG2-CE2 3.37Å; T135-Y139 WeakPolarHBondContact O-CD2 3.36Å; T135-Y139 PolarHBondContact O-N 2.97Å; T135-Y139 VanDerWaalsContact O-N 3.11Å
136S95.2Very high92.2Very high47 Ų4798.3 Ų98.333%0.32950%0.5SS..Hα-helixtrans-65.7-39.3176.855.80000112.2F132 T133 Y138 Y139 T140F132-S136 WeakPolarHBondContact O-CB 3.47Å; F132-S136 PolarHBondContact O-N 2.85Å; F132-S136 PolarHBondContact O-OG 2.83Å; T133-S136 PolarHBondContact O-OG 2.93Å; T133-S136 VanDerWaalsContact O-OG 3.05Å; S136-Y138 VanDerWaalsContact C-N 3.34Å; S136-Y138 PolarHBondContact O-N 2.89Å; S136-Y139 PolarHBondContact O-N 2.81Å; S136-T140 WeakPolarHBondContact O-CG2 3.27Å; S136-T140 PolarHBondContact O-N 2.9Å; S136-T140 PolarHBondContact O-OG1 2.9Å
137A96.1Very high93.2Very high51 Ų5199.6 Ų99.642%0.42150%0.502SS..Hα-helixtrans-61.2-39.7173.700000112.6T133 I134 T140 Y141T133-A137 WeakPolarHBondContact O-CB 3.22Å; T133-A137 PolarHBondContact O-N 3.49Å; I134-A137 PolarHBondContact O-N 2.91Å; A137-T140 WeakPolarHBondContact CA-OG1 3.42Å; A137-T140 PolarHBondContact O-OG1 3.12Å; A137-Y141 WeakPolarHBondContact O-CB 3.34Å; A137-Y141 PolarHBondContact O-N 2.82Å
138Y96.8Very high94.1Very high138 Ų13898.9 Ų98.954%0.54150%0.5SS..Hα-helixtrans-62-46.2174.4173.9-101.4000111.9I134 T135 S136 Y141 L142I134-Y138 WeakPolarHBondContact O-CB 3.4Å; I134-Y138 PolarHBondContact O-N 2.96Å; T135-Y138 WeakPolarHBondContact O-CB 3.43Å; T135-Y138 PolarHBondContact O-N 2.86Å; S136-Y138 VanDerWaalsContact C-N 3.34Å; S136-Y138 PolarHBondContact O-N 2.89Å; Y138-Y141 PolarHBondContact O-N 2.8Å; Y138-L142 HydrophobicContact CD1-CD1 4.05Å; Y138-L142 HydrophobicContact CE1-CD1 3.41Å; Y138-L142 VanDerWaalsContact CE1-CD1 3.41Å; Y138-L142 HydrophobicContact CE1-CG 4.24Å; Y138-L142 HydrophobicContact CE2-CD1 4.31Å; Y138-L142 HydrophobicContact CE2-CG 4.41Å; Y138-L142 WeakPolarHBondContact O-CG 3.31Å; Y138-L142 PolarHBondContact O-N 2.96Å
139Y96.9Very high94.9Very high137 Ų13798.1 Ų98.154%0.53750%0.5SS..Hα-helixtrans-68.2-39.5178.7-71.6-61.5000113.2T135 S136 Y141 L142 L143T135-Y139 HydrophobicContact CG2-CD2 3.81Å; T135-Y139 HydrophobicContact CG2-CE2 3.37Å; T135-Y139 WeakPolarHBondContact O-CD2 3.36Å; T135-Y139 PolarHBondContact O-N 2.97Å; T135-Y139 VanDerWaalsContact O-N 3.11Å; S136-Y139 PolarHBondContact O-N 2.81Å; Y139-Y141 VanDerWaalsContact C-N 3.32Å; Y139-Y141 PolarHBondContact O-N 2.83Å; Y139-L142 PolarHBondContact O-N 2.88Å; Y139-L143 VanDerWaalsContact O-CG 3.31Å; Y139-L143 WeakPolarHBondContact O-CG 3.35Å; Y139-L143 PolarHBondContact O-N 3.43Å
140T96.8Very high95.5Very high79 Ų7997.2 Ų97.249%0.48550%0.497SS..Hα-helixtrans-63.9-39.7175.454.90000111.3S136 A137 L143 L144S136-T140 WeakPolarHBondContact O-CG2 3.27Å; S136-T140 PolarHBondContact O-N 2.9Å; S136-T140 PolarHBondContact O-OG1 2.9Å; A137-T140 WeakPolarHBondContact CA-OG1 3.42Å; A137-T140 PolarHBondContact O-OG1 3.12Å; T140-L143 PolarHBondContact O-N 2.86Å; T140-L144 WeakPolarHBondContact O-CB 3.49Å; T140-L144 VanDerWaalsContact O-CG 3.28Å; T140-L144 WeakPolarHBondContact O-CG 3.32Å; T140-L144 PolarHBondContact O-N 3.06Å
141Y97.3Very high95.8Very high138 Ų13898.6 Ų98.654%0.54150%0.496SS..Hα-helixtrans-60-47.8173.2178.6-103.8000112.3A137 Y138 Y139 L143 L144 L145A137-Y141 WeakPolarHBondContact O-CB 3.34Å; A137-Y141 PolarHBondContact O-N 2.82Å; Y138-Y141 PolarHBondContact O-N 2.8Å; Y139-Y141 VanDerWaalsContact C-N 3.32Å; Y139-Y141 PolarHBondContact O-N 2.83Å; Y141-L143 VanDerWaalsContact C-N 3.34Å; Y141-L143 PolarHBondContact O-N 2.8Å; Y141-L144 PolarHBondContact O-N 2.87Å; Y141-L145 HydrophobicContact CD1-CD1 3.85Å; Y141-L145 HydrophobicContact CD1-CG 4.36Å; Y141-L145 HydrophobicContact CE1-CD1 3.24Å; Y141-L145 HydrophobicContact CE1-CG 3.98Å; Y141-L145 HydrophobicContact CE2-CD1 4.33Å; Y141-L145 HydrophobicContact CE2-CD2 4.4Å; Y141-L145 HydrophobicContact CE2-CG 4.23Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; Y141-L145 PolarHBondContact O-N 3.43Å
142L97.6Very high96.1Very high70 Ų7098 Ų9837%0.36650%0.496SS..Hα-helixtrans-60-42.2176.2-72.6-178.8000112.6Y138 Y139 L145 L146Y138-L142 HydrophobicContact CD1-CD1 4.05Å; Y138-L142 HydrophobicContact CE1-CD1 3.41Å; Y138-L142 VanDerWaalsContact CE1-CD1 3.41Å; Y138-L142 HydrophobicContact CE1-CG 4.24Å; Y138-L142 HydrophobicContact CE2-CD1 4.31Å; Y138-L142 HydrophobicContact CE2-CG 4.41Å; Y138-L142 WeakPolarHBondContact O-CG 3.31Å; Y138-L142 PolarHBondContact O-N 2.96Å; Y139-L142 PolarHBondContact O-N 2.88Å; L142-L145 PolarHBondContact O-N 2.69Å; L142-L146 WeakPolarHBondContact O-CB 3.41Å; L142-L146 PolarHBondContact O-N 3.37Å
143L97.4Very high96.3Very high114 Ų11493.6 Ų93.660%0.59749%0.487SS*.Hα-helixtrans-64.8-39.5177.5-72.1172.3000112Y139 T140 Y141 K147Y139-L143 VanDerWaalsContact O-CG 3.31Å; Y139-L143 WeakPolarHBondContact O-CG 3.35Å; Y139-L143 PolarHBondContact O-N 3.43Å; T140-L143 PolarHBondContact O-N 2.86Å; Y141-L143 VanDerWaalsContact C-N 3.34Å; Y141-L143 PolarHBondContact O-N 2.8Å; L143-K147 VanDerWaalsContact O-CB 3.26Å; L143-K147 WeakPolarHBondContact O-CB 3.05Å; L143-K147 PolarHBondContact O-N 2.83Å
144L97.1Very high96.5Very high114 Ų11494.4 Ų94.460%0.59749%0.487SS*.Hα-helixtrans-68.6-40.7176.7-72.1172.8000112.2T140 Y141 K147 S148T140-L144 WeakPolarHBondContact O-CB 3.49Å; T140-L144 VanDerWaalsContact O-CG 3.28Å; T140-L144 WeakPolarHBondContact O-CG 3.32Å; T140-L144 PolarHBondContact O-N 3.06Å; Y141-L144 PolarHBondContact O-N 2.87Å; L144-K147 PolarHBondContact O-N 3.04Å; L144-S148 WeakPolarHBondContact O-CB 3.5Å; L144-S148 PolarHBondContact O-N 2.83Å
145L97.6Very high96.5Very high75 Ų7593.6 Ų93.639%0.39348%0.483SS..Hα-helixtrans-60.5-48.1173.2-76.8-178.1000111.4Y141 L142 K147 S148 V149Y141-L145 HydrophobicContact CD1-CD1 3.85Å; Y141-L145 HydrophobicContact CD1-CG 4.36Å; Y141-L145 HydrophobicContact CE1-CD1 3.24Å; Y141-L145 HydrophobicContact CE1-CG 3.98Å; Y141-L145 HydrophobicContact CE2-CD1 4.33Å; Y141-L145 HydrophobicContact CE2-CD2 4.4Å; Y141-L145 HydrophobicContact CE2-CG 4.23Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; Y141-L145 PolarHBondContact O-N 3.43Å; L142-L145 PolarHBondContact O-N 2.69Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 3.16Å; L145-S148 WeakPolarHBondContact O-CB 3.47Å; L145-S148 PolarHBondContact O-N 3.27Å; L145-V149 WeakPolarHBondContact O-CG2 3.32Å; L145-V149 PolarHBondContact O-N 2.95Å
146L97.8Very high96.5Very high102 Ų10293.6 Ų93.653%0.53449%0.486SS..Hα-helixtrans-60-45.4177.5-179.562.1000111.1L142 S148 V149 I150L142-L146 WeakPolarHBondContact O-CB 3.41Å; L142-L146 PolarHBondContact O-N 3.37Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.05Å; L146-V149 PolarHBondContact O-N 3.02Å; L146-I150 HydrophobicContact CD1-CD1 4.26Å; L146-I150 HydrophobicContact CG-CD1 4.03Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.39Å; L146-I150 PolarHBondContact O-N 2.85Å
147K96.6Very high96.4Very high115 Ų11598 Ų9850%0.550%0.499SS..Hα-helixtrans-59.6-43.7176.4-175.5171178.4176.70111.4L143 L144 L145 I150 Y151L143-K147 VanDerWaalsContact O-CB 3.26Å; L143-K147 WeakPolarHBondContact O-CB 3.05Å; L143-K147 PolarHBondContact O-N 2.83Å; L144-K147 PolarHBondContact O-N 3.04Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 3.16Å; K147-I150 PolarHBondContact O-N 2.96Å; K147-Y151 HydrophobicContact CD-CE2 4.18Å; K147-Y151 HydrophobicContact CG-CD2 3.87Å; K147-Y151 HydrophobicContact CG-CE2 3.57Å; K147-Y151 WeakPolarHBondContact O-CD2 3.5Å; K147-Y151 PolarHBondContact O-N 3.25Å
148S97.6Very high96.1Very high63 Ų6398 Ų9844%0.44150%0.496SS..Hα-helixtrans-60.9-46.8176.7-175.70000112.4L144 L145 L146 I150 Y151 L152L144-S148 WeakPolarHBondContact O-CB 3.5Å; L144-S148 PolarHBondContact O-N 2.83Å; L145-S148 WeakPolarHBondContact O-CB 3.47Å; L145-S148 PolarHBondContact O-N 3.27Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.05Å; S148-I150 VanDerWaalsContact C-N 3.31Å; S148-I150 PolarHBondContact O-N 3.46Å; S148-Y151 PolarHBondContact O-N 2.84Å; S148-L152 WeakPolarHBondContact O-CG 3.48Å; S148-L152 PolarHBondContact O-N 3.43Å
149V97.5Very high95.8Very high93 Ų9396 Ų9656%0.56449%0.494SS*.Hα-helixtrans-60.1-42177.11730000111.2L145 L146 L152 A153L145-V149 WeakPolarHBondContact O-CG2 3.32Å; L145-V149 PolarHBondContact O-N 2.95Å; L146-V149 PolarHBondContact O-N 3.02Å; V149-L152 PolarHBondContact O-N 2.59Å; V149-A153 WeakPolarHBondContact O-CB 3.43Å; V149-A153 PolarHBondContact O-N 3.06Å
150I97Very high95.3Very high88 Ų8895.1 Ų95.145%0.45150%0.498SS..Hα-helixtrans-62.6-45.7176.1-67.5165.4000110.9L146 K147 S148 L152 A153 I154L146-I150 HydrophobicContact CD1-CD1 4.26Å; L146-I150 HydrophobicContact CG-CD1 4.03Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.39Å; L146-I150 PolarHBondContact O-N 2.85Å; K147-I150 PolarHBondContact O-N 2.96Å; S148-I150 VanDerWaalsContact C-N 3.31Å; S148-I150 PolarHBondContact O-N 3.46Å; I150-L152 PolarHBondContact O-N 3.37Å; I150-A153 PolarHBondContact O-N 2.9Å; I150-I154 HydrophobicContact CG2-CD1 3.93Å; I150-I154 HydrophobicContact CG2-CG1 4.45Å; I150-I154 WeakPolarHBondContact O-CG1 3.36Å; I150-I154 PolarHBondContact O-N 2.81Å
151Y96.3Very high94.7Very high135 Ų13599.9 Ų99.953%0.52951%0.507SS..Hα-helixtrans-60.3-43.7176.6-85.2-70.4000112.4K147 S148 A153 I154 I155K147-Y151 HydrophobicContact CD-CE2 4.18Å; K147-Y151 HydrophobicContact CG-CD2 3.87Å; K147-Y151 HydrophobicContact CG-CE2 3.57Å; K147-Y151 WeakPolarHBondContact O-CD2 3.5Å; K147-Y151 PolarHBondContact O-N 3.25Å; S148-Y151 PolarHBondContact O-N 2.84Å; Y151-A153 VanDerWaalsContact C-N 3.31Å; Y151-A153 PolarHBondContact O-N 3.01Å; Y151-I154 PolarHBondContact O-N 3.33Å; Y151-I155 WeakPolarHBondContact O-CB 3.11Å; Y151-I155 VanDerWaalsContact O-CG1 3.28Å; Y151-I155 WeakPolarHBondContact O-CG1 2.79Å; Y151-I155 PolarHBondContact O-N 2.82Å
152L96.4Very high94Very high109 Ų109102 Ų10257%0.57151%0.514SS*.Hα-helixtrans-63.1-37.8176.8-69.4174.5000111.9S148 V149 I150 S156S148-L152 WeakPolarHBondContact O-CG 3.48Å; S148-L152 PolarHBondContact O-N 3.43Å; V149-L152 PolarHBondContact O-N 2.59Å; I150-L152 PolarHBondContact O-N 3.37Å; L152-S156 VanDerWaalsContact O-CB 3.29Å; L152-S156 WeakPolarHBondContact O-CB 3.07Å; L152-S156 PolarHBondContact O-N 3.27Å; L152-S156 PolarHBondContact O-OG 3.41Å; L152-S156 VanDerWaalsContact O-OG 3.08Å
153A95.4Very high92.9Very high53 Ų53102.9 Ų102.944%0.43852%0.523SS..Hα-helixtrans-66.1-4117500000112.7V149 I150 Y151 S156 F157V149-A153 WeakPolarHBondContact O-CB 3.43Å; V149-A153 PolarHBondContact O-N 3.06Å; I150-A153 PolarHBondContact O-N 2.9Å; Y151-A153 VanDerWaalsContact C-N 3.31Å; Y151-A153 PolarHBondContact O-N 3.01Å; A153-S156 WeakPolarHBondContact CA-OG 3.48Å; A153-S156 PolarHBondContact O-OG 2.87Å; A153-F157 VanDerWaalsContact O-CB 3.23Å; A153-F157 WeakPolarHBondContact O-CB 3.25Å; A153-F157 PolarHBondContact O-N 3.23Å
154I95.2Very high91.5Very high95 Ų95101 Ų10149%0.48752%0.519SS..Hα-helixtrans-66.9-43.3176.9-64.9172000110.9I150 Y151 S158I150-I154 HydrophobicContact CG2-CD1 3.93Å; I150-I154 HydrophobicContact CG2-CG1 4.45Å; I150-I154 WeakPolarHBondContact O-CG1 3.36Å; I150-I154 PolarHBondContact O-N 2.81Å; Y151-I154 PolarHBondContact O-N 3.33Å; I154-S158 WeakPolarHBondContact O-CB 3.28Å; I154-S158 PolarHBondContact O-N 3.18Å; I154-S158 PolarHBondContact O-OG 3.28Å
155I93.8Very high90.3Very high91 Ų91101 Ų10147%0.46752%0.523SS..Hα-helixtrans-64.8-47.4178.1-68.4168000110.3Y151 F157 S158 L159Y151-I155 WeakPolarHBondContact O-CB 3.11Å; Y151-I155 VanDerWaalsContact O-CG1 3.28Å; Y151-I155 WeakPolarHBondContact O-CG1 2.79Å; Y151-I155 PolarHBondContact O-N 2.82Å; I155-F157 PolarHBondContact O-N 2.98Å; I155-S158 PolarHBondContact O-N 3.28Å; I155-L159 HydrophobicContact CG2-CD1 3.95Å; I155-L159 HydrophobicContact CG2-CG 4.32Å; I155-L159 WeakPolarHBondContact O-CG 3.03Å; I155-L159 PolarHBondContact O-N 3.13Å
156S93.1Very high88.5Confident59 Ų59102 Ų10241%0.41354%0.535SS..Hα-helixtrans-62.4-43.4179670000111.8L152 A153 S158 L159 L160L152-S156 VanDerWaalsContact O-CB 3.29Å; L152-S156 WeakPolarHBondContact O-CB 3.07Å; L152-S156 PolarHBondContact O-N 3.27Å; L152-S156 PolarHBondContact O-OG 3.41Å; L152-S156 VanDerWaalsContact O-OG 3.08Å; A153-S156 WeakPolarHBondContact CA-OG 3.48Å; A153-S156 PolarHBondContact O-OG 2.87Å; S156-S158 VanDerWaalsContact C-N 3.33Å; S156-S158 PolarHBondContact O-N 3.23Å; S156-L159 PolarHBondContact O-N 3.49Å; S156-L160 WeakPolarHBondContact O-CB 3.35Å; S156-L160 VanDerWaalsContact O-CG 3.28Å; S156-L160 WeakPolarHBondContact O-CG 3.25Å; S156-L160 PolarHBondContact O-N 3.1Å
157F93.3Very high86.6Confident140 Ų14099.4 Ų99.461%0.61453%0.534SS*.Hα-helixtrans-59.3-43.4173.2-179.7-99.5000112.1A153 I155 L160 R161A153-F157 VanDerWaalsContact O-CB 3.23Å; A153-F157 WeakPolarHBondContact O-CB 3.25Å; A153-F157 PolarHBondContact O-N 3.23Å; I155-F157 PolarHBondContact O-N 2.98Å; F157-L160 PolarHBondContact O-N 3.2Å; F157-R161 WeakPolarHBondContact O-CB 3.29Å; F157-R161 PolarHBondContact O-N 3.18Å
158S90.5Very high84.5Confident51 Ų51101.1 Ų101.136%0.35755%0.548SS..Hα-helixtrans-65.4-39.2178-59.30000112.4I154 I155 S156 R162I154-S158 WeakPolarHBondContact O-CB 3.28Å; I154-S158 PolarHBondContact O-N 3.18Å; I154-S158 PolarHBondContact O-OG 3.28Å; I155-S158 PolarHBondContact O-N 3.28Å; S156-S158 VanDerWaalsContact C-N 3.33Å; S156-S158 PolarHBondContact O-N 3.23Å; S158-R162 WeakPolarHBondContact O-CG 3.29Å; S158-R162 PolarHBondContact O-N 3.05Å; S158-R162 VanDerWaalsContact O-N 3.14Å
159L89.6Confident82.5Confident96 Ų96106.1 Ų106.150%0.50357%0.565SS.*Hα-helixtrans-69.5-44.3176-69.4175.5000111.7I155 S156 R161 R162 T163I155-L159 HydrophobicContact CG2-CD1 3.95Å; I155-L159 HydrophobicContact CG2-CG 4.32Å; I155-L159 WeakPolarHBondContact O-CG 3.03Å; I155-L159 PolarHBondContact O-N 3.13Å; S156-L159 PolarHBondContact O-N 3.49Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 2.81Å; L159-R162 PolarHBondContact O-N 2.97Å; L159-T163 WeakPolarHBondContact O-CG2 3.21Å; L159-T163 PolarHBondContact O-N 3.43Å; L159-T163 PolarHBondContact O-OG1 2.99Å
160L87.2Confident80.2Confident118 Ų118111 Ų11162%0.61858%0.578SS**Hα-helixtrans-59.2-40.9175-73.7169.3000111.9S156 F157 R162 T163 S164S156-L160 WeakPolarHBondContact O-CB 3.35Å; S156-L160 VanDerWaalsContact O-CG 3.28Å; S156-L160 WeakPolarHBondContact O-CG 3.25Å; S156-L160 PolarHBondContact O-N 3.1Å; F157-L160 PolarHBondContact O-N 3.2Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.19Å; L160-T163 PolarHBondContact O-OG1 3.34Å; L160-S164 PolarHBondContact O-N 2.92Å; L160-S164 VanDerWaalsContact O-N 3.11Å; L160-S164 PolarHBondContact O-OG 2.75Å
161R84.2Confident77.8Confident178 Ų178116.4 Ų116.467%0.67260%0.599SS**Hα-helixtrans-65.5-33.7174.5-172.5179.1177.9-169.5-0.4112.4F157 L159 S164 V165F157-R161 WeakPolarHBondContact O-CB 3.29Å; F157-R161 PolarHBondContact O-N 3.18Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 2.81Å; R161-S164 PolarHBondContact O-OG 2.76Å; R161-S164 VanDerWaalsContact O-OG 3.06Å; R161-V165 VanDerWaalsContact O-CG2 3.26Å; R161-V165 WeakPolarHBondContact O-CG2 2.84Å
162R82.5Confident75.1Confident184 Ų184118.9 Ų118.969%0.69464%0.635SS**Hα-helixtrans-77.1-37.4176.6-75.1-176-172.1176.63.3112.7S158 L159 L160 V165 C166S158-R162 WeakPolarHBondContact O-CG 3.29Å; S158-R162 PolarHBondContact O-N 3.05Å; S158-R162 VanDerWaalsContact O-N 3.14Å; L159-R162 PolarHBondContact O-N 2.97Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.19Å; R162-V165 PolarHBondContact O-N 3.2Å; R162-C166 WeakPolarHBondContact O-CB 3.46Å; R162-C166 PolarHBondContact O-N 2.73Å
163T75.7Confident74Confident88 Ų88119.4 Ų119.454%0.5464%0.639SS.*Hα-helixtrans-72-30.8178.855.10000112.6L159 L160 V165 G167L159-T163 WeakPolarHBondContact O-CG2 3.21Å; L159-T163 PolarHBondContact O-N 3.43Å; L159-T163 PolarHBondContact O-OG1 2.99Å; L160-T163 PolarHBondContact O-OG1 3.34Å; T163-V165 VanDerWaalsContact C-N 3.32Å; T163-G167 VanDerWaalsContact O-CA 3.27Å; T163-G167 WeakPolarHBondContact O-CA 3.39Å; T163-G167 PolarHBondContact O-N 3.02Å
164S67Low72.9Confident73 Ų73122.8 Ų122.851%0.5165%0.649SS.*Hα-helixtrans-67.1-34.1171.165.30000112.5L160 R161L160-S164 PolarHBondContact O-N 2.92Å; L160-S164 VanDerWaalsContact O-N 3.11Å; L160-S164 PolarHBondContact O-OG 2.75Å; R161-S164 PolarHBondContact O-OG 2.76Å; R161-S164 VanDerWaalsContact O-OG 3.06Å
165V72Confident71.7Confident115 Ų115124.4 Ų124.470%0.69766%0.658SS**Hα-helixtrans-73.7-39.9176.9172.70000111.6R161 R162 T163R161-V165 VanDerWaalsContact O-CG2 3.26Å; R161-V165 WeakPolarHBondContact O-CG2 2.84Å; R162-V165 PolarHBondContact O-N 3.2Å; T163-V165 VanDerWaalsContact C-N 3.32Å
166C60.3Low70.4Confident95 Ų95126.4 Ų126.464%0.64267%0.67SS**Hα-helixtrans-93.9-18.3-176.4-134.60000114.3R162 N168R162-C166 WeakPolarHBondContact O-CB 3.46Å; R162-C166 PolarHBondContact O-N 2.73Å; C166-N168 VanDerWaalsContact C-N 3.28Å; C166-N168 PolarHBondContact O-N 3Å
167G56.5Low69Low49 Ų49130.6 Ų130.651%0.50569%0.686SS.*G310 helixtrans-77.5-8.6-177.200000114.7T163 E169T163-G167 VanDerWaalsContact O-CA 3.27Å; T163-G167 WeakPolarHBondContact O-CA 3.39Å; T163-G167 PolarHBondContact O-N 3.02Å; G167-E169 PolarHBondContact O-N 2.92Å
168N53.9Low67.3Low150 Ų150129.9 Ų129.980%0.80269%0.69SS**G310 helixtrans-81.93.5174-80.3-12000113.8C166C166-N168 VanDerWaalsContact C-N 3.28Å; C166-N168 PolarHBondContact O-N 3Å
169E55.8Low65.7Low168 Ų168135.6 Ų135.679%0.78571%0.714SS**G310 helixtrans-113.414.8-177.8-141.2-179.9150.200114.8G167G167-E169 PolarHBondContact O-N 2.92Å
170K48.6Very low63.9Low196 Ų196138.6 Ų138.685%0.85273%0.731SS**SBendtrans-132.931.8171.7-70.4-166178.2-178.90114.8
171K45.6Very low61.9Low202 Ų202140.3 Ų140.388%0.87874%0.74SS**  trans-134.961165-69.8-167179.8-174.90111.4
172S40.9Very low59.9Low186 Ų186136.9 Ų136.9100%1.30175%0.746SS**  trans-176.30133.2-171.10000109.6

Retrieved 172 of 172 residues in 184.6 ms (Link to these results)

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